CHEMBL4822 IC50
BioactivityChEMBL CHEMBL4822 IC50 bioactivity data
3918 compounds · Target: Beta-secretase 1 ( CHEMBL4822 ↗ ) · UniProt: P56817 ↗ · IC50
Beta-secretase 1, a molecular target studied in Homo sapiens.
| ID ↑ | SMILES | Target | Activity (nM) | Type | Ref | Link | |
|---|---|---|---|---|---|---|---|
|
6570 ↗ |
O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23
|
CHEMBL4822 ↗
UniProt: P56817 ↗ |
3.90×103 | IC50 | CHEMBL6246 | ChEMBL ↗ |
|
11440 ↗ |
Clc1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1
|
CHEMBL4822 ↗
UniProt: P56817 ↗ |
660.00 | IC50 | CHEMBL1348834 | ChEMBL ↗ |
|
11446 ↗ |
Fc1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1
|
CHEMBL4822 ↗
UniProt: P56817 ↗ |
550.00 | IC50 | CHEMBL1424080 | ChEMBL ↗ |
|
11461 ↗ |
CC(C)(O)CCc1c(-c2ccc(O)cc2O)oc2c3c(cc(O)c2c1=O)OC(C)(C)C=C3
|
CHEMBL4822 ↗
UniProt: P56817 ↗ |
135.90×103 | IC50 | CHEMBL1719948 | ChEMBL ↗ |
|
11464 ↗ |
CC(C)=CC1Oc2cc(O)ccc2-c2oc3c4c(cc(O)c3c(=O)c21)OC(C)(C)C=C4
|
CHEMBL4822 ↗
UniProt: P56817 ↗ |
101.20×103 | IC50 | CHEMBL1770313 | ChEMBL ↗ |
|
11465 ↗ |
CC1(C)C=Cc2c(cc(O)c3c(=O)c4c(oc23)-c2ccc(O)cc2OC(C(C)(C)O)C4)O1
|
CHEMBL4822 ↗
UniProt: P56817 ↗ |
146.10×103 | IC50 | CHEMBL1770314 | ChEMBL ↗ |
|
11550 ↗ |
C#CCN(C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C
|
CHEMBL4822 ↗
UniProt: P56817 ↗ |
460.00 | IC50 | CHEMBL1929421 | ChEMBL ↗ |
|
11790 ↗ |
CCN(Cc1ccccc1)Cc1ccc(-c2cc3cc(OC)c(OC)cc3oc2=O)cc1
|
CHEMBL4822 ↗
UniProt: P56817 ↗ |
238.00 | IC50 | CHEMBL244416 | ChEMBL ↗ |
|
11922 ↗ |
CC1=CC2Cc3nc4cc(Cl)ccc4c(NCCCCCCCCCNC(=O)c4cc(O)c5c(c4)C(=O)c4cccc(O)c4C5=O)c3C(C1)C2
|
CHEMBL4822 ↗
UniProt: P56817 ↗ |
1.50×103 | IC50 | CHEMBL3304306 | ChEMBL ↗ |
|
12079 ↗ |
CC1(C)C=Cc2c(ccc(C(=O)/C=C/c3ccc(O)cc3)c2O)O1
|
CHEMBL4822 ↗
UniProt: P56817 ↗ |
9.80×103 | IC50 | CHEMBL362378 | ChEMBL ↗ |
|
12143 ↗ |
c1ccc2oc(CNCCCCCCCNc3c4c(nc5ccccc35)CCCC4)cc2c1
|
CHEMBL4822 ↗
UniProt: P56817 ↗ |
1.35×103 | IC50 | CHEMBL3752467 | ChEMBL ↗ |
|
12146 ↗ |
COc1cccc2cc(C(=O)NCCCCCCCNc3c4c(nc5ccccc35)CCCC4)oc12
|
CHEMBL4822 ↗
UniProt: P56817 ↗ |
430.00 | IC50 | CHEMBL3752926 | ChEMBL ↗ |
|
12149 ↗ |
c1ccc2oc(CN(CCCCCCCNc3c4c(nc5ccccc35)CCCC4)Cc3cc4ccccc4o3)cc2c1
|
CHEMBL4822 ↗
UniProt: P56817 ↗ |
620.00 | IC50 | CHEMBL3753360 | ChEMBL ↗ |
|
12154 ↗ |
COc1cccc2cc(CN(CCCCCCNc3c4c(nc5ccccc35)CCCC4)Cc3cc4cccc(OC)c4o3)oc12
|
CHEMBL4822 ↗
UniProt: P56817 ↗ |
190.00 | IC50 | CHEMBL3753957 | ChEMBL ↗ |
|
12514 ↗ |
Clc1ccc(CNC2CCN(Cc3ccccc3)CC2)c(Cl)c1
|
CHEMBL4822 ↗
UniProt: P56817 ↗ |
3.00×103 | IC50 | CHEMBL4091169 | ChEMBL ↗ |
|
12735 ↗ |
COc1cccc(CNC2CCN(Cc3ccccc3)CC2)c1OC
|
CHEMBL4822 ↗
UniProt: P56817 ↗ |
5.30×103 | IC50 | CHEMBL4435826 | ChEMBL ↗ |
|
12741 ↗ |
COc1cc(/C=N/C2CCN(Cc3ccccc3)CC2)cc(OC)c1OC
|
CHEMBL4822 ↗
UniProt: P56817 ↗ |
14.00×103 | IC50 | CHEMBL4440283 | ChEMBL ↗ |
|
12745 ↗ |
O=[N+]([O-])c1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1
|
CHEMBL4822 ↗
UniProt: P56817 ↗ |
430.00 | IC50 | CHEMBL4442580 | ChEMBL ↗ |
|
12748 ↗ |
Oc1ccc(CNC2CCN(Cc3ccccc3)CC2)c(O)c1
|
CHEMBL4822 ↗
UniProt: P56817 ↗ |
5.90×103 | IC50 | CHEMBL4443013 | ChEMBL ↗ |
|
12751 ↗ |
Fc1ccc(CNC2CCN(Cc3ccccc3)CC2)c(F)c1
|
CHEMBL4822 ↗
UniProt: P56817 ↗ |
2.90×103 | IC50 | CHEMBL4443695 | ChEMBL ↗ |
|
12762 ↗ |
Oc1ccccc1CNC1CCN(Cc2ccccc2)CC1
|
CHEMBL4822 ↗
UniProt: P56817 ↗ |
2.00×103 | IC50 | CHEMBL4447514 | ChEMBL ↗ |
|
12767 ↗ |
FC(F)(F)Oc1ccc(/C=N/C2CCN(Cc3ccccc3)CC2)cc1
|
CHEMBL4822 ↗
UniProt: P56817 ↗ |
1.80×103 | IC50 | CHEMBL4449445 | ChEMBL ↗ |
|
12770 ↗ |
O=[N+]([O-])c1ccc(/C=N/C2CCN(Cc3ccccc3)CC2)cc1
|
CHEMBL4822 ↗
UniProt: P56817 ↗ |
730.00 | IC50 | CHEMBL4452092 | ChEMBL ↗ |
|
12772 ↗ |
c1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1
|
CHEMBL4822 ↗
UniProt: P56817 ↗ |
2.90×103 | IC50 | CHEMBL4453051 | ChEMBL ↗ |
|
12780 ↗ |
c1ccc2c(NCc3ccc(-c4ccc(CNc5c6c(nc7ccccc57)CCCC6)cc4)cc3)c3c(nc2c1)CCCC3
|
CHEMBL4822 ↗
UniProt: P56817 ↗ |
2.77×103 | IC50 | CHEMBL4456928 | ChEMBL ↗ |
|
12800 ↗ |
Oc1ccccc1/C=N/C1CCN(Cc2ccccc2)CC1
|
CHEMBL4822 ↗
UniProt: P56817 ↗ |
2.70×103 | IC50 | CHEMBL4467620 | ChEMBL ↗ |
|
12844 ↗ |
Clc1ccc(/C=N/C2CCN(Cc3ccccc3)CC2)cc1
|
CHEMBL4822 ↗
UniProt: P56817 ↗ |
1.70×103 | IC50 | CHEMBL4526950 | ChEMBL ↗ |
|
12886 ↗ |
Oc1ccc(/C=N/C2CCN(Cc3ccccc3)CC2)c(O)c1
|
CHEMBL4822 ↗
UniProt: P56817 ↗ |
10.00×103 | IC50 | CHEMBL4556855 | ChEMBL ↗ |
|
12898 ↗ |
COc1ccc2nc3c(c(NCCCCCCCCNC(=S)NC45CC6CC(CC(C6)C4)C5)c2c1)CCCC3
|
CHEMBL4822 ↗
UniProt: P56817 ↗ |
18.40×103 | IC50 | CHEMBL4566976 | ChEMBL ↗ |
|
12901 ↗ |
Clc1ccc(/C=N/C2CCN(Cc3ccccc3)CC2)c(Cl)c1
|
CHEMBL4822 ↗
UniProt: P56817 ↗ |
3.90×103 | IC50 | CHEMBL4568264 | ChEMBL ↗ |
|
12910 ↗ |
FC(F)(F)c1ccc(/C=N/C2CCN(Cc3ccccc3)CC2)cc1
|
CHEMBL4822 ↗
UniProt: P56817 ↗ |
280.00 | IC50 | CHEMBL4575167 | ChEMBL ↗ |
|
12918 ↗ |
FC(F)(F)c1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1
|
CHEMBL4822 ↗
UniProt: P56817 ↗ |
220.00 | IC50 | CHEMBL4583534 | ChEMBL ↗ |
|
12923 ↗ |
FC(F)(F)Oc1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1
|
CHEMBL4822 ↗
UniProt: P56817 ↗ |
1.40×103 | IC50 | CHEMBL4587156 | ChEMBL ↗ |
|
12933 ↗ |
COc1cc(CNC2CCN(Cc3ccccc3)CC2)cc(OC)c1OC
|
CHEMBL4822 ↗
UniProt: P56817 ↗ |
13.00×103 | IC50 | CHEMBL4591283 | ChEMBL ↗ |
|
12952 ↗ |
CC(C)=CCc1c(-c2ccc(O)cc2O)oc2c3c(cc(O)c2c1=O)OC(C)(C)C=C3
|
CHEMBL4822 ↗
UniProt: P56817 ↗ |
59.40×103 | IC50 | CHEMBL464006 | ChEMBL ↗ |
|
12975 ↗ |
O=C(N/N=C/c1ccc(Cl)cc1)N1CCN(c2ccccn2)CC1
|
CHEMBL4822 ↗
UniProt: P56817 ↗ |
2.96×103 | IC50 | CHEMBL4740676 | ChEMBL ↗ |
|
12979 ↗ |
Brc1ccc(CNC2CCN(Cc3ccccc3)C2)cc1
|
CHEMBL4822 ↗
UniProt: P56817 ↗ |
648.00 | IC50 | CHEMBL4741398 | ChEMBL ↗ |
|
12985 ↗ |
O=C(N/N=C/c1ccccc1)N1CCN(c2ccccn2)CC1
|
CHEMBL4822 ↗
UniProt: P56817 ↗ |
7.69×103 | IC50 | CHEMBL4743485 | ChEMBL ↗ |
|
12987 ↗ |
COc1cccc(-c2nnc(N3CCN(c4ccccn4)CC3)o2)c1OC
|
CHEMBL4822 ↗
UniProt: P56817 ↗ |
2.16×103 | IC50 | CHEMBL4744191 | ChEMBL ↗ |
|
12988 ↗ |
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccccn2)CC1
|
CHEMBL4822 ↗
UniProt: P56817 ↗ |
2.64×103 | IC50 | CHEMBL4744259 | ChEMBL ↗ |
|
12989 ↗ |
Fc1ccc(/C=N\C2CCN(Cc3ccccc3)C2)c(F)c1
|
CHEMBL4822 ↗
UniProt: P56817 ↗ |
2.65×103 | IC50 | CHEMBL4744470 | ChEMBL ↗ |
|
12994 ↗ |
COc1cc(-c2nnc(N3CCN(c4ccccn4)CC3)o2)cc(OC)c1OC
|
CHEMBL4822 ↗
UniProt: P56817 ↗ |
3.24×103 | IC50 | CHEMBL4745534 | ChEMBL ↗ |
|
12996 ↗ |
Oc1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)o2)cc1
|
CHEMBL4822 ↗
UniProt: P56817 ↗ |
1.78×103 | IC50 | CHEMBL4746180 | ChEMBL ↗ |
|
12999 ↗ |
c1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)o2)cc1
|
CHEMBL4822 ↗
UniProt: P56817 ↗ |
3.22×103 | IC50 | CHEMBL4746559 | ChEMBL ↗ |
|
13001 ↗ |
O=C(N/N=C/c1ccc(Br)cc1)N1CCN(c2ccccn2)CC1
|
CHEMBL4822 ↗
UniProt: P56817 ↗ |
296.00 | IC50 | CHEMBL4746898 | ChEMBL ↗ |
|
13002 ↗ |
COc1cc2c(cc1OCc1ccccc1)CCC(C)(CC(=O)NCCCCCCCNc1c3c(nc4cc(Cl)ccc14)CCCC3)O2
|
CHEMBL4822 ↗
UniProt: P56817 ↗ |
12.50×103 | IC50 | CHEMBL4747041 | ChEMBL ↗ |
|
13004 ↗ |
COc1cccc(CNC2CCN(Cc3ccccc3)C2)c1OC
|
CHEMBL4822 ↗
UniProt: P56817 ↗ |
2.86×103 | IC50 | CHEMBL4747185 | ChEMBL ↗ |
|
13006 ↗ |
COc1cc2c(cc1OCc1ccccc1)CCC(C)(CC(=O)NCCCCCCCCNc1c3c(nc4cc(Cl)ccc14)CCCC3)O2
|
CHEMBL4822 ↗
UniProt: P56817 ↗ |
8.31×103 | IC50 | CHEMBL4747836 | ChEMBL ↗ |
|
13008 ↗ |
O=C(N/N=C/c1ccc(C(F)(F)F)cc1)N1CCN(c2ccccn2)CC1
|
CHEMBL4822 ↗
UniProt: P56817 ↗ |
1.82×103 | IC50 | CHEMBL4748077 | ChEMBL ↗ |
|
13018 ↗ |
Fc1ccc(CNC2CCN(Cc3ccccc3)C2)cc1
|
CHEMBL4822 ↗
UniProt: P56817 ↗ |
824.00 | IC50 | CHEMBL4749704 | ChEMBL ↗ |