CHEMBL4078 IC50
BioactivityChEMBL CHEMBL4078 IC50 bioactivity data
4444 compounds · Target: Acetylcholinesterase ( CHEMBL4078 ↗ ) · UniProt: O42275 ↗ · IC50
Acetylcholinesterase, a molecular target studied in Electrophorus electricus.
| ID ↑ | SMILES | Target | Activity (nM) | Type | Ref | Link | |
|---|---|---|---|---|---|---|---|
|
6570 ↗ |
O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23
|
CHEMBL4078 ↗
UniProt: O42275 ↗ |
132.92×103 | IC50 | CHEMBL6246 | ChEMBL ↗ |
|
11408 ↗ |
COc1cc(NC(=O)/C=C/c2cccc(OCc3ccccc3)c2)cc(OC)c1OC
|
CHEMBL4078 ↗
UniProt: O42275 ↗ |
6.52×103 | IC50 | CHEMBL1094079 | ChEMBL ↗ |
|
11447 ↗ |
COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3[N+](=O)[O-])CC1)C2
|
CHEMBL4078 ↗
UniProt: O42275 ↗ |
106.00 | IC50 | CHEMBL145361 | ChEMBL ↗ |
|
11454 ↗ |
c1cncc(-c2nnc3sc(-c4ccco4)nn23)c1
|
CHEMBL4078 ↗
UniProt: O42275 ↗ |
21.20×103 | IC50 | CHEMBL1588892 | ChEMBL ↗ |
|
11455 ↗ |
O=[N+]([O-])c1ccc(C2CC(c3ccccc3)=Nc3ccccc3S2)cc1
|
CHEMBL4078 ↗
UniProt: O42275 ↗ |
102.00×103 | IC50 | CHEMBL1594358 | ChEMBL ↗ |
|
11459 ↗ |
COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3cccc(C)c3)CC1)C2
|
CHEMBL4078 ↗
UniProt: O42275 ↗ |
108.00 | IC50 | CHEMBL170946 | ChEMBL ↗ |
|
11460 ↗ |
COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccc([N+](=O)[O-])cc3)CC1)C2
|
CHEMBL4078 ↗
UniProt: O42275 ↗ |
4.02×103 | IC50 | CHEMBL171048 | ChEMBL ↗ |
|
11489 ↗ |
CC(C)C1=N[C@H]2CC[C@]34C[C@]35C(=O)C[C@]3(C)[C@@H]([C@H](C)N(C)CCCN6C(=O)c7ccccc7C6=O)[C@H](O)C[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CS1
|
CHEMBL4078 ↗
UniProt: O42275 ↗ |
14.00 | IC50 | CHEMBL1783499 | ChEMBL ↗ |
|
11490 ↗ |
COc1cccc(CN(C)[C@@H](C)[C@H]2[C@H](O)C[C@@]3(C)[C@@H]4CC[C@H]5[C@]6(C)CSC(C(C)C)=N[C@H]6CC[C@@]56C[C@@]46C(=O)C[C@]23C)c1
|
CHEMBL4078 ↗
UniProt: O42275 ↗ |
6.00 | IC50 | CHEMBL1783514 | ChEMBL ↗ |
|
11491 ↗ |
COc1ccc(CN(C)[C@@H](C)[C@H]2[C@H](O)C[C@@]3(C)[C@@H]4CC[C@H]5[C@]6(C)CSC(C(C)C)=N[C@H]6CC[C@@]56C[C@@]46C(=O)C[C@]23C)cc1
|
CHEMBL4078 ↗
UniProt: O42275 ↗ |
18.00 | IC50 | CHEMBL1783515 | ChEMBL ↗ |
|
11492 ↗ |
CC(C)C1=N[C@H]2CC[C@]34C[C@]35C(=O)C[C@]3(C)[C@@H]([C@H](C)N(C)CCN6C(=O)c7ccccc7C6=O)[C@H](O)C[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CS1
|
CHEMBL4078 ↗
UniProt: O42275 ↗ |
24.00 | IC50 | CHEMBL1783519 | ChEMBL ↗ |
|
11493 ↗ |
CC(C)C1=N[C@H]2CC[C@]34C[C@]35C(=O)C[C@]3(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CS1
|
CHEMBL4078 ↗
UniProt: O42275 ↗ |
38.00 | IC50 | CHEMBL1783520 | ChEMBL ↗ |
|
11494 ↗ |
CN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@]5(C)CSC(C(C)C)=N[C@H]5CC[C@@]45C[C@@]35C(=O)C[C@]12C
|
CHEMBL4078 ↗
UniProt: O42275 ↗ |
45.00 | IC50 | CHEMBL1783521 | ChEMBL ↗ |
|
11495 ↗ |
CC(C)C1=N[C@H]2CC[C@]34C[C@]35C(=O)C[C@]3(C)[C@@H]([C@H](C)N(C)Cc6ccccc6)[C@H](O)C[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CS1
|
CHEMBL4078 ↗
UniProt: O42275 ↗ |
13.00 | IC50 | CHEMBL1783525 | ChEMBL ↗ |
|
11496 ↗ |
CC(C)C1=N[C@H]2CC[C@]34C[C@]35C(=O)C[C@]3(C)[C@@H]([C@H](C)N(C)CCc6ccccc6)[C@H](O)C[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CS1
|
CHEMBL4078 ↗
UniProt: O42275 ↗ |
14.00 | IC50 | CHEMBL1783526 | ChEMBL ↗ |
|
11497 ↗ |
CC(C)C1=N[C@H]2CC[C@]34C[C@]35C(=O)C[C@]3(C)[C@@H]([C@H](C)N(C)CCCc6ccccc6)[C@H](O)C[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CS1
|
CHEMBL4078 ↗
UniProt: O42275 ↗ |
79.00 | IC50 | CHEMBL1783527 | ChEMBL ↗ |
|
11498 ↗ |
COc1ccccc1CN(C)[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@]5(C)CSC(C(C)C)=N[C@H]5CC[C@@]45C[C@@]35C(=O)C[C@]12C
|
CHEMBL4078 ↗
UniProt: O42275 ↗ |
12.00 | IC50 | CHEMBL1783528 | ChEMBL ↗ |
|
11501 ↗ |
CC(C)C1=N[C@H]2CC[C@]34C[C@]35C(=O)C[C@]3(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)C=C1
|
CHEMBL4078 ↗
UniProt: O42275 ↗ |
16.00 | IC50 | CHEMBL1783534 | ChEMBL ↗ |
|
11543 ↗ |
Nc1c2c(nc3c1cc(-c1ccccc1)n3-c1ccccc1)CCCC2
|
CHEMBL4078 ↗
UniProt: O42275 ↗ |
610.00 | IC50 | CHEMBL1916768 | ChEMBL ↗ |
|
11550 ↗ |
C#CCN(C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C
|
CHEMBL4078 ↗
UniProt: O42275 ↗ |
350.00 | IC50 | CHEMBL1929421 | ChEMBL ↗ |
|
11567 ↗ |
C#CCN1CCc2nc3nc(N4CCCC4)c(C#N)cc3c(N)c2C1
|
CHEMBL4078 ↗
UniProt: O42275 ↗ |
25.00 | IC50 | CHEMBL2022933 | ChEMBL ↗ |
|
11628 ↗ |
COc1cc(C(=O)NCCCCCCCC(=O)NNc2c3c(nc4ccccc24)CCCC3)cc(OC)c1OC
|
CHEMBL4078 ↗
UniProt: O42275 ↗ |
3.25 | IC50 | CHEMBL216159 | ChEMBL ↗ |
|
11633 ↗ |
COc1cc(C(=O)NCCCC(=O)NNc2c3c(nc4ccccc24)CCCC3)cc(OC)c1OC
|
CHEMBL4078 ↗
UniProt: O42275 ↗ |
60.50 | IC50 | CHEMBL219063 | ChEMBL ↗ |
|
11634 ↗ |
COc1cc(C(=O)NNc2c3c(nc4ccccc24)CCCC3)cc(OC)c1OC
|
CHEMBL4078 ↗
UniProt: O42275 ↗ |
2.26×103 | IC50 | CHEMBL219262 | ChEMBL ↗ |
|
11635 ↗ |
COc1cc(CCC(=O)NCCCCCC(=O)NNc2c3c(nc4ccccc24)CCCC3)cc(OC)c1OC
|
CHEMBL4078 ↗
UniProt: O42275 ↗ |
20.20 | IC50 | CHEMBL219264 | ChEMBL ↗ |
|
11636 ↗ |
COc1cc(CCC(=O)NCCCCC(=O)NNc2c3c(nc4ccccc24)CCCC3)cc(OC)c1OC
|
CHEMBL4078 ↗
UniProt: O42275 ↗ |
54.70 | IC50 | CHEMBL219316 | ChEMBL ↗ |
|
11637 ↗ |
CCOC(=O)C1=C(C)Nc2nc3c(c(N)c2C1c1ccccc1[N+](=O)[O-])CCCC3
|
CHEMBL4078 ↗
UniProt: O42275 ↗ |
304.00 | IC50 | CHEMBL219400 | ChEMBL ↗ |
|
11638 ↗ |
CCOC(=O)C1=C(C)Nc2nc3c(c(N)c2C1c1ccc([N+](=O)[O-])cc1)CCCC3
|
CHEMBL4078 ↗
UniProt: O42275 ↗ |
600.00 | IC50 | CHEMBL219405 | ChEMBL ↗ |
|
11639 ↗ |
COc1cc(C(=O)NCCCCC(=O)NNc2c3c(nc4ccccc24)CCCC3)cc(OC)c1OC
|
CHEMBL4078 ↗
UniProt: O42275 ↗ |
20.20 | IC50 | CHEMBL219550 | ChEMBL ↗ |
|
11640 ↗ |
COc1cc(C(=O)NCCCCCCC(=O)NNc2c3c(nc4ccccc24)CCCC3)cc(OC)c1OC
|
CHEMBL4078 ↗
UniProt: O42275 ↗ |
9.76 | IC50 | CHEMBL219569 | ChEMBL ↗ |
|
11641 ↗ |
COc1cc(CCC(=O)NNc2c3c(nc4ccccc24)CCCC3)cc(OC)c1OC
|
CHEMBL4078 ↗
UniProt: O42275 ↗ |
294.00 | IC50 | CHEMBL219911 | ChEMBL ↗ |
|
11642 ↗ |
COc1cc(CCC(=O)NCCC(=O)NNc2c3c(nc4ccccc24)CCCC3)cc(OC)c1OC
|
CHEMBL4078 ↗
UniProt: O42275 ↗ |
102.00 | IC50 | CHEMBL220141 | ChEMBL ↗ |
|
11688 ↗ |
CC(C)(C)c1ccc(C(=O)OCCCCN2CCC(OCc3ccccc3)CC2)cc1
|
CHEMBL4078 ↗
UniProt: O42275 ↗ |
12.22×103 | IC50 | CHEMBL228302 | ChEMBL ↗ |
|
11689 ↗ |
CC(C)c1ccc(C(=O)OCCCCN2CCC(OCc3ccccc3)CC2)cc1
|
CHEMBL4078 ↗
UniProt: O42275 ↗ |
14.78×103 | IC50 | CHEMBL228303 | ChEMBL ↗ |
|
11694 ↗ |
O=C(OCCCCN1CCC(OC(c2ccccc2)c2ccccc2)CC1)c1ccccc1
|
CHEMBL4078 ↗
UniProt: O42275 ↗ |
1.31×103 | IC50 | CHEMBL228999 | ChEMBL ↗ |
|
11695 ↗ |
O=C(OCCCCN1CCC(OC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1
|
CHEMBL4078 ↗
UniProt: O42275 ↗ |
310.00 | IC50 | CHEMBL229000 | ChEMBL ↗ |
|
11696 ↗ |
O=C(OCCCCN1CCC(OC(c2ccccc2)c2ccccc2)CC1)c1ccc(F)cc1
|
CHEMBL4078 ↗
UniProt: O42275 ↗ |
840.00 | IC50 | CHEMBL229001 | ChEMBL ↗ |
|
11697 ↗ |
CC(C)(C)c1ccc(C(=O)OCCCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1
|
CHEMBL4078 ↗
UniProt: O42275 ↗ |
2.41×103 | IC50 | CHEMBL229050 | ChEMBL ↗ |
|
11698 ↗ |
CC(C)c1ccc(C(=O)OCCCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1
|
CHEMBL4078 ↗
UniProt: O42275 ↗ |
3.89×103 | IC50 | CHEMBL229051 | ChEMBL ↗ |
|
11699 ↗ |
O=C(OCCCCN1CCC(OC(c2ccccc2)c2ccccc2)CC1)c1cccc(Cl)c1
|
CHEMBL4078 ↗
UniProt: O42275 ↗ |
3.39×103 | IC50 | CHEMBL229052 | ChEMBL ↗ |
|
11700 ↗ |
O=C(OCCCCN1CCC(OC(c2ccccc2)c2ccccc2)CC1)c1cccc(F)c1
|
CHEMBL4078 ↗
UniProt: O42275 ↗ |
7.72×103 | IC50 | CHEMBL229104 | ChEMBL ↗ |
|
11726 ↗ |
C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC[C@@H]5N=C(C6CCCCC6)OC[C@]54C)C[C@H]3C(=O)C[C@]12C)N(C)C
|
CHEMBL4078 ↗
UniProt: O42275 ↗ |
400.00 | IC50 | CHEMBL237667 | ChEMBL ↗ |
|
11727 ↗ |
CN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4[C@@H](CC[C@H](NC(=O)C(C)C)[C@@]4(C)CO)C[C@H]3C(=O)C[C@]12C
|
CHEMBL4078 ↗
UniProt: O42275 ↗ |
110.00 | IC50 | CHEMBL237874 | ChEMBL ↗ |
|
11731 ↗ |
O=C(O)CCC(=O)Nc1ccncc1
|
CHEMBL4078 ↗
UniProt: O42275 ↗ |
40.33×103 | IC50 | CHEMBL2386989 | ChEMBL ↗ |
|
11732 ↗ |
O=C1CCC(=O)N1c1ccncc1
|
CHEMBL4078 ↗
UniProt: O42275 ↗ |
490.00 | IC50 | CHEMBL2386990 | ChEMBL ↗ |
|
11733 ↗ |
O=C(O)/C=C\C(=O)Nc1ccncc1
|
CHEMBL4078 ↗
UniProt: O42275 ↗ |
48.67×103 | IC50 | CHEMBL2386991 | ChEMBL ↗ |
|
11734 ↗ |
O=C1C=CC(=O)N1c1ccncc1
|
CHEMBL4078 ↗
UniProt: O42275 ↗ |
30.00 | IC50 | CHEMBL2386992 | ChEMBL ↗ |
|
11741 ↗ |
CCC(CC)C1=N[C@H]2CC=C3C[C@H]4C(=O)C[C@]5(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]5(C)[C@@H]4CC[C@H]3[C@]2(C)CO1
|
CHEMBL4078 ↗
UniProt: O42275 ↗ |
102.00 | IC50 | CHEMBL240472 | ChEMBL ↗ |
|
11742 ↗ |
COc1cc(/C=N/NC(=O)Nc2ccncc2)ccc1O
|
CHEMBL4078 ↗
UniProt: O42275 ↗ |
18.88×103 | IC50 | CHEMBL2413097 | ChEMBL ↗ |
|
11743 ↗ |
O=C(N/N=C/c1ccccc1)Nc1ccncc1
|
CHEMBL4078 ↗
UniProt: O42275 ↗ |
82.74×103 | IC50 | CHEMBL2414856 | ChEMBL ↗ |