CHEMBL3649 IC50
BioactivityChEMBL CHEMBL3649 IC50 bioactivity data
1121 compounds · Target: Xanthine dehydrogenase/oxidase ( CHEMBL3649 ↗ ) · UniProt: P80457 ↗ · IC50
Xanthine dehydrogenase/oxidase, a molecular target studied in Bos taurus.
| ID ↑ | SMILES | Target | Activity (nM) | Type | Ref | Link | |
|---|---|---|---|---|---|---|---|
|
11450 ↗ |
O=C(/C=C/c1ccccc1O)c1ccccc1
|
CHEMBL3649 ↗
UniProt: P80457 ↗ |
145.00×103 | IC50 | CHEMBL147067 | ChEMBL ↗ |
|
11451 ↗ |
O=C(/C=C/c1ccccc1O)c1ccccc1O
|
CHEMBL3649 ↗
UniProt: P80457 ↗ |
87.40×103 | IC50 | CHEMBL150755 | ChEMBL ↗ |
|
11836 ↗ |
O=C(/C=C/c1ccccc1)c1ccccc1O
|
CHEMBL3649 ↗
UniProt: P80457 ↗ |
71.30×103 | IC50 | CHEMBL32147 | ChEMBL ↗ |
|
13340 ↗ |
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12
|
CHEMBL3649 ↗
UniProt: P80457 ↗ |
31.90×103 | IC50 | CHEMBL50 | ChEMBL ↗ |
|
14739 ↗ |
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1
|
CHEMBL3649 ↗
UniProt: P80457 ↗ |
14.10×103 | IC50 | CHEMBL243664 | ChEMBL ↗ |
|
15570 ↗ |
O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12
|
CHEMBL3649 ↗
UniProt: P80457 ↗ |
1.73×103 | IC50 | CHEMBL44 | ChEMBL ↗ |
|
15948 ↗ |
O=C1/C(=C/c2ccc(O)c(O)c2)Oc2cc(O)ccc21
|
CHEMBL3649 ↗
UniProt: P80457 ↗ |
3.10×103 | IC50 | CHEMBL490355 | ChEMBL ↗ |
|
17678 ↗ |
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12
|
CHEMBL3649 ↗
UniProt: P80457 ↗ |
10.20×103 | IC50 | CHEMBL151 | ChEMBL ↗ |
|
19476 ↗ |
O=C(/C=C/c1ccc(O)cc1)c1ccc(O)cc1O
|
CHEMBL3649 ↗
UniProt: P80457 ↗ |
47.30×103 | IC50 | CHEMBL129795 | ChEMBL ↗ |
|
24783 ↗ |
O=C(/C=C/c1cccc(O)c1)c1ccccc1O
|
CHEMBL3649 ↗
UniProt: P80457 ↗ |
91.80×103 | IC50 | CHEMBL3823220 | ChEMBL ↗ |
|
26854 ↗ |
O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12
|
CHEMBL3649 ↗
UniProt: P80457 ↗ |
1.26×103 | IC50 | CHEMBL117 | ChEMBL ↗ |
|
58658 ↗ |
COc1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12
|
CHEMBL3649 ↗
UniProt: P80457 ↗ |
176.10×103 | IC50 | CHEMBL16171 | ChEMBL ↗ |
|
79082 ↗ |
O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1
|
CHEMBL3649 ↗
UniProt: P80457 ↗ |
3.20×103 | IC50 | CHEMBL382408 | ChEMBL ↗ |
|
84159 ↗ |
O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)oc2cc(O)cc(O)c12
|
CHEMBL3649 ↗
UniProt: P80457 ↗ |
35.30×103 | IC50 | CHEMBL63354 | ChEMBL ↗ |
|
137377 ↗ |
O=C(/C=C/c1ccc(O)c(O)c1)c1ccc(O)cc1O
|
CHEMBL3649 ↗
UniProt: P80457 ↗ |
1.30×103 | IC50 | CHEMBL128000 | ChEMBL ↗ |
|
137430 ↗ |
O=C(/C=C/c1ccc(O)c(O)c1)c1ccccc1
|
CHEMBL3649 ↗
UniProt: P80457 ↗ |
53.00×103 | IC50 | CHEMBL129510 | ChEMBL ↗ |
|
137481 ↗ |
O=C(/C=C/c1ccccc1O)c1ccc(O)cc1O
|
CHEMBL3649 ↗
UniProt: P80457 ↗ |
56.80×103 | IC50 | CHEMBL148472 | ChEMBL ↗ |
|
138407 ↗ |
O=C(/C=C/c1ccc(O)c(O)c1)c1ccc(O)cc1
|
CHEMBL3649 ↗
UniProt: P80457 ↗ |
4.30×103 | IC50 | CHEMBL341135 | ChEMBL ↗ |
|
139512 ↗ |
O=C(/C=C/c1ccccc1)c1ccc(O)cc1O
|
CHEMBL3649 ↗
UniProt: P80457 ↗ |
107.00×103 | IC50 | CHEMBL105310 | ChEMBL ↗ |
|
139513 ↗ |
CC(C)COc1ccc(-c2n[nH]c(-c3ccncc3)n2)cn1
|
CHEMBL3649 ↗
UniProt: P80457 ↗ |
24.00 | IC50 | CHEMBL1077386 | ChEMBL ↗ |
|
139514 ↗ |
c1cncc(-c2n[nH]c(-c3ccncc3)n2)c1
|
CHEMBL3649 ↗
UniProt: P80457 ↗ |
130.00 | IC50 | CHEMBL1077387 | ChEMBL ↗ |
|
139515 ↗ |
CC(C)COc1ccc(-c2n[nH]c(-c3ccncc3)n2)cc1C#N
|
CHEMBL3649 ↗
UniProt: P80457 ↗ |
4.90 | IC50 | CHEMBL1077405 | ChEMBL ↗ |
|
139516 ↗ |
Clc1cc(-c2n[nH]c(-c3ccncc3)n2)ccn1
|
CHEMBL3649 ↗
UniProt: P80457 ↗ |
7.90 | IC50 | CHEMBL1077446 | ChEMBL ↗ |
|
139517 ↗ |
N#Cc1cc(-c2n[nH]c(-c3ccnc(Cl)c3)n2)ccn1
|
CHEMBL3649 ↗
UniProt: P80457 ↗ |
39.00 | IC50 | CHEMBL1078559 | ChEMBL ↗ |
|
139518 ↗ |
N#Cc1cc(-c2n[nH]c(-c3ccnc(C#N)c3)n2)ccn1
|
CHEMBL3649 ↗
UniProt: P80457 ↗ |
18.00 | IC50 | CHEMBL1078560 | ChEMBL ↗ |
|
139519 ↗ |
Brc1cc(-c2n[nH]c(-c3ccncc3)n2)ccn1
|
CHEMBL3649 ↗
UniProt: P80457 ↗ |
9.90 | IC50 | CHEMBL1078761 | ChEMBL ↗ |
|
139520 ↗ |
Fc1cc(-c2n[nH]c(-c3ccncc3)n2)ccn1
|
CHEMBL3649 ↗
UniProt: P80457 ↗ |
48.00 | IC50 | CHEMBL1078762 | ChEMBL ↗ |
|
139521 ↗ |
c1ccc(-c2cc(-c3n[nH]c(-c4ccncc4)n3)ccn2)cc1
|
CHEMBL3649 ↗
UniProt: P80457 ↗ |
6.80 | IC50 | CHEMBL1078763 | ChEMBL ↗ |
|
139522 ↗ |
c1cc(-c2n[nH]c(-c3ccncc3)n2)ccn1
|
CHEMBL3649 ↗
UniProt: P80457 ↗ |
170.00 | IC50 | CHEMBL1078978 | ChEMBL ↗ |
|
139523 ↗ |
Cc1cc(-c2nc(-c3ccncc3)n[nH]2)ccn1
|
CHEMBL3649 ↗
UniProt: P80457 ↗ |
28.00 | IC50 | CHEMBL1078980 | ChEMBL ↗ |
|
139524 ↗ |
Cc1cc(-c2n[nH]c(-c3ccnc(C)c3)n2)ccn1
|
CHEMBL3649 ↗
UniProt: P80457 ↗ |
310.00 | IC50 | CHEMBL1079001 | ChEMBL ↗ |
|
139525 ↗ |
N#Cc1ccc(-c2n[nH]c(-c3ccncc3)n2)cn1
|
CHEMBL3649 ↗
UniProt: P80457 ↗ |
38.00 | IC50 | CHEMBL1079084 | ChEMBL ↗ |
|
139526 ↗ |
Cc1cc(-c2nc(-c3ccc(OCC(C)C)nc3)n[nH]2)ccn1
|
CHEMBL3649 ↗
UniProt: P80457 ↗ |
170.00 | IC50 | CHEMBL1079103 | ChEMBL ↗ |
|
139527 ↗ |
CC(C)COc1ccc(-c2n[nH]c(-c3ccnc(C#N)c3)n2)cn1
|
CHEMBL3649 ↗
UniProt: P80457 ↗ |
590.00 | IC50 | CHEMBL1079104 | ChEMBL ↗ |
|
139528 ↗ |
Cc1cc(-c2nc(-c3ccc(Cl)c([N+](=O)[O-])c3)n[nH]2)ccn1
|
CHEMBL3649 ↗
UniProt: P80457 ↗ |
30.00 | IC50 | CHEMBL1079331 | ChEMBL ↗ |
|
139529 ↗ |
COc1ccc(-c2n[nH]c(-c3ccncc3)n2)cc1[N+](=O)[O-]
|
CHEMBL3649 ↗
UniProt: P80457 ↗ |
3.30 | IC50 | CHEMBL1079332 | ChEMBL ↗ |
|
139530 ↗ |
O=[N+]([O-])c1cc(-c2n[nH]c(-c3ccncc3)n2)ccc1Cl
|
CHEMBL3649 ↗
UniProt: P80457 ↗ |
4.70 | IC50 | CHEMBL1079334 | ChEMBL ↗ |
|
139531 ↗ |
CSc1cc(-c2nc(-c3ccnc(C)c3)n[nH]2)ccn1
|
CHEMBL3649 ↗
UniProt: P80457 ↗ |
170.00 | IC50 | CHEMBL1080056 | ChEMBL ↗ |
|
139532 ↗ |
Cc1cc(-c2n[nH]c(-c3ccnc(-c4ccccc4)c3)n2)ccn1
|
CHEMBL3649 ↗
UniProt: P80457 ↗ |
59.00 | IC50 | CHEMBL1080057 | ChEMBL ↗ |
|
139533 ↗ |
Cc1cc(-c2n[nH]c(-c3ccnc(OCC(C)C)c3)n2)ccn1
|
CHEMBL3649 ↗
UniProt: P80457 ↗ |
63.00 | IC50 | CHEMBL1080058 | ChEMBL ↗ |
|
139534 ↗ |
Cc1cc(-c2n[nH]c(-c3ccnc(SCC(C)C)c3)n2)ccn1
|
CHEMBL3649 ↗
UniProt: P80457 ↗ |
46.00 | IC50 | CHEMBL1080059 | ChEMBL ↗ |
|
139535 ↗ |
Cc1cc(-c2n[nH]c(-c3ccnc(C#N)c3)n2)ccn1
|
CHEMBL3649 ↗
UniProt: P80457 ↗ |
59.00 | IC50 | CHEMBL1080767 | ChEMBL ↗ |
|
139536 ↗ |
Cc1cc(-c2n[nH]c(-c3ccnc(Cl)c3)n2)ccn1
|
CHEMBL3649 ↗
UniProt: P80457 ↗ |
89.00 | IC50 | CHEMBL1081134 | ChEMBL ↗ |
|
139537 ↗ |
COc1ccc(-c2n[nH]c(-c3ccnc(C)c3)n2)cc1[N+](=O)[O-]
|
CHEMBL3649 ↗
UniProt: P80457 ↗ |
17.00 | IC50 | CHEMBL1082212 | ChEMBL ↗ |
|
139538 ↗ |
CC(C)(C)c1ccc(COc2ccc(-c3cc(C(=O)O)no3)cc2[N+](=O)[O-])cc1
|
CHEMBL3649 ↗
UniProt: P80457 ↗ |
12.75×103 | IC50 | CHEMBL1163781 | ChEMBL ↗ |
|
139539 ↗ |
N#Cc1cc(-c2cc(C(=O)O)no2)ccc1OCc1ccccc1
|
CHEMBL3649 ↗
UniProt: P80457 ↗ |
590.00 | IC50 | CHEMBL1164192 | ChEMBL ↗ |
|
139540 ↗ |
CC(C)(C)c1ccc(COc2ccc(-c3cc(C(=O)O)no3)cc2C#N)cc1
|
CHEMBL3649 ↗
UniProt: P80457 ↗ |
1.01×103 | IC50 | CHEMBL1164728 | ChEMBL ↗ |
|
139541 ↗ |
Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)O
|
CHEMBL3649 ↗
UniProt: P80457 ↗ |
17.64 | IC50 | CHEMBL1164729 | ChEMBL ↗ |
|
139542 ↗ |
O=C(O)c1cc(-c2ccc(OCc3ccc(Cl)cc3)c([N+](=O)[O-])c2)on1
|
CHEMBL3649 ↗
UniProt: P80457 ↗ |
2.83×103 | IC50 | CHEMBL1164904 | ChEMBL ↗ |
|
139543 ↗ |
CC(C)COc1ccc(-c2cc(C(=O)O)no2)cc1[N+](=O)[O-]
|
CHEMBL3649 ↗
UniProt: P80457 ↗ |
1.00×103 | IC50 | CHEMBL1165002 | ChEMBL ↗ |