molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL2031893 |
|
Ki |
= |
1.0 |
nM |
528.54 |
COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)c2cc1OC |
Homo sapiens |
CHEMBL2032459 |
single protein format |
CHEMBL3545307 |
OBDepict
F
N
CH
3
O
N
H
O
F
O
N
N
N
N
H
3
C
H
|
IC50 |
= |
1.2 |
nM |
552.54 |
Cc1ccc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)c(=O)n1-c1ccc(F)cc1 |
Homo sapiens |
CHEMBL4330214 |
single protein format |
CHEMBL460702 |
OBDepict
CH
3
O
N
N
H
O
O
F
F
O
Cl
N
NH
2
|
IC50 |
= |
1.8 |
nM |
512.9 |
CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1 |
Homo sapiens |
CHEMBL957100 |
single protein format |
CHEMBL4753082 |
OBDepict
H
3
C
O
N
N
H
O
O
F
F
O
Cl
N
NH
2
|
IC50 |
= |
1.8 |
nM |
498.87 |
COc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1 |
Homo sapiens |
CHEMBL4686622 |
single protein format |
CHEMBL2143592 |
OBDepict
H
N
NH
O
O
F
F
O
Cl
N
NH
2
|
IC50 |
< |
3.0 |
nM |
468.85 |
Nc1nccc(Oc2ccc(NC(=O)c3c[nH]cc(-c4ccc(F)cc4)c3=O)cc2F)c1Cl |
Homo sapiens |
CHEMBL3767453 |
single protein format |
CHEMBL3899652 |
OBDepict
O
NH
N
H
N
O
F
N
H
O
N
N
F
F
F
|
IC50 |
= |
4.3 |
nM |
512.42 |
O=C1NCc2c(Oc3ccc(NC(=O)c4cnn(-c5ccccc5)c4C(F)(F)F)cc3F)ccnc2N1 |
Homo sapiens |
CHEMBL3888135 |
single protein format |
CHEMBL1802829 |
OBDepict
H
3
C
N
N
N
O
N
H
S
N
O
O
H
3
C
CH
3
|
IC50 |
= |
7.0 |
nM |
409.47 |
CN(C)S(=O)(=O)Nc1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1 |
Homo sapiens |
CHEMBL2327589 |
single protein format |
CHEMBL2323775 |
OBDepict
H
3
C
N
N
N
O
S
N
H
O
O
N
|
IC50 |
= |
7.0 |
nM |
471.54 |
Cn1cc(-c2cnc3ccc4ccc(CS(=O)(=O)NCc5ccccn5)cc4c(=O)c3c2)cn1 |
Homo sapiens |
CHEMBL2327589 |
single protein format |
CHEMBL1822792 |
OBDepict
H
3
C
N
N
N
O
N
H
S
N
O
O
CH
3
H
O
O
|
IC50 |
= |
7.0 |
nM |
495.56 |
CN(C[C@@H]1COCCO1)S(=O)(=O)Nc1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1 |
Homo sapiens |
CHEMBL1804190 |
single protein format |
CHEMBL460472 |
OBDepict
CH
3
O
N
O
N
N
H
O
CH
3
N
O
N
OH
CH
3
H
3
C
|
IC50 |
= |
10.0 |
nM |
539.59 |
COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)(C)O)n(-c5ccccc5)c4=O)nc3)ccnc2c1 |
Homo sapiens |
CHEMBL2032459 |
single protein format |
CHEMBL3931180 |
OBDepict
O
N
H
HN
N
O
F
N
H
O
N
CH
3
N
|
IC50 |
= |
10.0 |
nM |
458.45 |
Cc1c(C(=O)Nc2ccc(Oc3ccnc4c3CNC(=O)N4)c(F)c2)cnn1-c1ccccc1 |
Homo sapiens |
CHEMBL3888135 |
single protein format |
CHEMBL3582033 |
OBDepict
CH
3
N
N
S
N
O
F
HN
O
N
F
F
F
|
IC50 |
= |
10.0 |
nM |
577.56 |
Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=O)c5ccn(-c6ccccc6)c5C(F)(F)F)cc4F)c3s2)c1 |
Homo sapiens |
CHEMBL3585031 |
cell-based format |
CHEMBL2031893 |
OBDepict
CH
3
O
O
CH
3
O
N
F
N
H
O
CH
3
N
O
N
H
3
C
|
IC50 |
= |
10.0 |
nM |
528.54 |
COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)c2cc1OC |
Homo sapiens |
CHEMBL2032459 |
single protein format |
CHEMBL3582034 |
OBDepict
CH
3
N
N
S
N
O
F
HN
O
N
N
F
F
F
|
IC50 |
= |
13.0 |
nM |
578.55 |
Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=O)c5ncn(-c6ccccc6)c5C(F)(F)F)cc4F)c3s2)c1 |
Homo sapiens |
CHEMBL3585031 |
cell-based format |
CHEMBL3608551 |
OBDepict
H
3
C
N
N
S
N
O
F
NH
O
N
N
N
|
IC50 |
= |
14.0 |
nM |
587.64 |
Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=O)c5cnn(-c6ccccc6)c5-c5cccnc5)cc4F)c3s2)c1 |
Homo sapiens |
CHEMBL3610848 |
single protein format |
CHEMBL2032274 |
OBDepict
OH
O
F
F
F
OH
O
N
NH
2
N
N
N
HN
|
IC50 |
= |
14.0 |
nM |
490.44 |
Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2ccc(O)cc2o1.O=C(O)C(F)(F)F |
Homo sapiens |
CHEMBL2034273 |
single protein format |
CHEMBL3582035 |
OBDepict
CH
3
N
N
S
N
O
F
HN
O
N
N
N
F
F
F
|
IC50 |
= |
17.0 |
nM |
579.54 |
Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=O)c5nnn(-c6ccccc6)c5C(F)(F)F)cc4F)c3s2)c1 |
Homo sapiens |
CHEMBL3585031 |
cell-based format |
CHEMBL4779315 |
OBDepict
H
3
C
O
O
H
3
C
O
N
F
N
H
O
O
CH
3
CH
3
H
3
C
O
F
|
IC50 |
= |
18.64 |
nM |
550.56 |
COc1cc2nccc(Oc3ccc(NC(=O)C(OC(=O)c4ccc(F)cc4)C(C)(C)C)cc3F)c2cc1OC |
Homo sapiens |
CHEMBL4686391 |
single protein format |
CHEMBL3608549 |
OBDepict
H
3
C
N
N
S
N
O
F
NH
O
N
N
N
|
IC50 |
= |
23.0 |
nM |
587.64 |
Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=O)c5cnn(-c6ccccc6)c5-c5ccccn5)cc4F)c3s2)c1 |
Homo sapiens |
CHEMBL3610848 |
single protein format |
CHEMBL3608544 |
OBDepict
H
3
C
N
N
S
N
O
F
NH
O
N
N
|
IC50 |
= |
23.0 |
nM |
586.65 |
Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=O)c5cnn(-c6ccccc6)c5-c5ccccc5)cc4F)c3s2)c1 |
Homo sapiens |
CHEMBL3610848 |
single protein format |
CHEMBL3919424 |
OBDepict
H
3
C
N
N
N
H
O
N
N
F
O
N
O
CH
3
O
CH
3
|
IC50 |
= |
30.0 |
nM |
514.52 |
CCc1c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)c(F)c2)cnn1-c1cncnc1 |
Homo sapiens |
CHEMBL3889184 |
single protein format |
CHEMBL3609808 |
OBDepict
H
3
C
N
N
S
N
O
F
N
O
N
N
|
IC50 |
= |
30.0 |
nM |
536.59 |
Cn1cnc(-c2cc3nccc(Oc4ccc(N5CCc6c(cnn6-c6ccccc6)C5=O)cc4F)c3s2)c1 |
Homo sapiens |
CHEMBL3611224 |
single protein format |
CHEMBL3608545 |
OBDepict
CH
3
N
N
S
N
O
F
N
H
O
N
N
|
IC50 |
= |
32.0 |
nM |
586.65 |
Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=O)c5cn(-c6ccccc6)nc5-c5ccccc5)cc4F)c3s2)c1 |
Homo sapiens |
CHEMBL3610848 |
single protein format |
CHEMBL3609807 |
OBDepict
CH
3
N
N
S
N
O
F
N
O
N
N
|
IC50 |
= |
34.0 |
nM |
550.62 |
Cn1cnc(-c2cc3nccc(Oc4ccc(N5CCCc6c(cnn6-c6ccccc6)C5=O)cc4F)c3s2)c1 |
Homo sapiens |
CHEMBL3611224 |
single protein format |
CHEMBL3582037 |
OBDepict
F
N
N
F
F
F
N
H
O
F
O
S
N
N
N
CH
3
|
IC50 |
= |
44.0 |
nM |
596.54 |
Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=O)c5cnn(-c6ccc(F)cc6)c5C(F)(F)F)cc4F)c3s2)c1 |
Homo sapiens |
CHEMBL3585031 |
cell-based format |
CHEMBL3609805 |
OBDepict
CH
3
N
N
S
N
O
F
N
O
N
N
|
IC50 |
= |
49.0 |
nM |
548.6 |
Cn1cnc(-c2cc3nccc(Oc4ccc(N5CC=Cc6c(cnn6-c6ccccc6)C5=O)cc4F)c3s2)c1 |
Homo sapiens |
CHEMBL3611224 |
single protein format |
CHEMBL1094718 |
OBDepict
CH
3
N
N
S
N
O
F
HN
O
N
N
F
F
F
|
IC50 |
= |
50.0 |
nM |
578.55 |
Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=O)c5cnn(-c6ccccc6)c5C(F)(F)F)cc4F)c3s2)c1 |
Homo sapiens |
CHEMBL1103914 |
cell-based format |
CHEMBL1813632 |
OBDepict
F
N
O
HN
O
F
O
N
N
S
|
IC50 |
= |
50.4 |
nM |
552.56 |
O=C(Nc1ccc(Oc2ncnc3scc(-c4ccccc4)c23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O |
Homo sapiens |
CHEMBL1816199 |
single protein format |
CHEMBL1095034 |
OBDepict
F
O
HN
O
S
N
N
N
F
F
F
N
N
H
3
C
|
IC50 |
= |
60.0 |
nM |
578.55 |
Cn1ccnc1-c1cc2nccc(Oc3ccc(NC(=O)c4cnn(-c5ccccc5)c4C(F)(F)F)cc3F)c2s1 |
Homo sapiens |
CHEMBL1103914 |
cell-based format |
CHEMBL2105717 |
OBDepict
CH
3
O
O
CH
3
O
N
N
H
O
HN
O
F
|
IC50 |
= |
69.0 |
nM |
501.51 |
COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC |
Homo sapiens |
CHEMBL4147638 |
single protein format |
CHEMBL460772 |
OBDepict
CH
3
O
O
CH
3
O
N
F
N
N
|
Ki |
= |
79.0 |
nM |
467.5 |
COc1cc2nccc(Oc3ccc(-c4ccc(Cc5ccccc5)nn4)cc3F)c2cc1OC |
Homo sapiens |
CHEMBL971822 |
single protein format |
CHEMBL1087984 |
OBDepict
CH
3
O
O
CH
3
O
N
F
N
H
O
N
N
F
F
F
|
IC50 |
= |
80.0 |
nM |
552.48 |
COc1cc2nccc(Oc3ccc(NC(=O)c4cnn(-c5ccccc5)c4C(F)(F)F)cc3F)c2cc1OC |
Homo sapiens |
CHEMBL1103914 |
cell-based format |
CHEMBL461831 |
OBDepict
CH
3
O
O
CH
3
O
N
F
N
O
N
H
3
C
N
H
F
|
Ki |
= |
80.0 |
nM |
516.5 |
COc1cc2nccc(Oc3ccc(-c4cnc(Nc5ccc(F)cc5)n(C)c4=O)cc3F)c2cc1OC |
Homo sapiens |
CHEMBL971822 |
single protein format |
CHEMBL4794496 |
OBDepict
H
3
C
O
O
H
3
C
N
O
N
F
N
H
N
N
O
H
F
|
IC50 |
= |
90.1 |
nM |
553.53 |
COc1cc2ncnc(Oc3ccc(Nc4nccc5[nH]cc(-c6ccc(F)cc6)c(=O)c45)cc3F)c2cc1OC |
Homo sapiens |
CHEMBL4774508 |
single protein format |
CHEMBL3735648 |
OBDepict
N
N
H
O
H
3
C
CH
3
N
O
|
IC50 |
= |
93.4 |
nM |
467.61 |
CC1(C)c2cc(C3CCN(CC4CCOCC4)CC3)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21 |
Homo sapiens |
CHEMBL3830313 |
cell-based format |
CHEMBL3582036 |
OBDepict
CH
3
N
N
S
N
O
F
N
H
O
N
N
F
F
F
|
IC50 |
= |
95.0 |
nM |
578.55 |
Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=O)c5cn(-c6ccccc6)nc5C(F)(F)F)cc4F)c3s2)c1 |
Homo sapiens |
CHEMBL3585031 |
cell-based format |
CHEMBL3608546 |
OBDepict
CH
3
N
N
S
N
O
F
N
H
O
N
|
IC50 |
= |
101.0 |
nM |
585.66 |
Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=O)c5cc(-c6ccccc6)n(-c6ccccc6)c5)cc4F)c3s2)c1 |
Homo sapiens |
CHEMBL3610848 |
single protein format |
CHEMBL2401834 |
OBDepict
CH
3
O
Cl
Cl
F
H
2
N
N
O
N
N
NH
|
IC50 |
= |
130.0 |
nM |
490.37 |
CC(Oc1c(N)ncc2c(-c3cnn(C4CCNCC4)c3)coc12)c1c(Cl)ccc(F)c1Cl |
Homo sapiens |
CHEMBL2406498 |
cell-based format |
CHEMBL1086932 |
OBDepict
CH
3
N
N
S
N
O
F
N
H
O
N
H
3
C
N
|
IC50 |
= |
150.0 |
nM |
524.58 |
Cc1c(C(=O)Nc2ccc(Oc3ccnc4cc(-c5cn(C)cn5)sc34)c(F)c2)cnn1-c1ccccc1 |
Homo sapiens |
CHEMBL1103914 |
cell-based format |
CHEMBL462232 |
OBDepict
CH
3
N
N
S
N
O
F
HN
N
O
O
N
|
IC50 |
= |
170.0 |
nM |
528.57 |
Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=O)N5CCN(c6ccccc6)C5=O)cc4F)c3s2)c1 |
Homo sapiens |
CHEMBL1103914 |
cell-based format |
CHEMBL2401832 |
OBDepict
H
2
N
N
O
O
N
O
NH
2
CH
3
H
Cl
Cl
F
|
IC50 |
= |
200.0 |
nM |
465.31 |
C[C@@H](Oc1c(N)ncc2c(C3=CCN(C(N)=O)CC3)coc12)c1c(Cl)ccc(F)c1Cl |
Homo sapiens |
CHEMBL2406498 |
cell-based format |
CHEMBL1098158 |
OBDepict
CH
3
N
N
S
N
O
F
HN
O
N
N
F
F
F
H
3
C
H
3
C
H
3
C
|
IC50 |
= |
200.0 |
nM |
558.56 |
Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=O)c5cnn(C(C)(C)C)c5C(F)(F)F)cc4F)c3s2)c1 |
Homo sapiens |
CHEMBL1103914 |
cell-based format |
CHEMBL1086675 |
OBDepict
CH
3
N
N
N
H
O
F
O
S
N
N
N
H
3
C
|
IC50 |
= |
210.0 |
nM |
552.64 |
CCCc1c(C(=O)Nc2ccc(Oc3ccnc4cc(-c5cn(C)cn5)sc34)c(F)c2)cnn1-c1ccccc1 |
Homo sapiens |
CHEMBL1103914 |
cell-based format |
CHEMBL602472 |
OBDepict
H
2
N
O
N
O
CH
3
H
Cl
Cl
F
|
IC50 |
= |
230.0 |
nM |
419.28 |
C[C@@H](Oc1ccc2ncc(C3CC3C(N)=O)cc2c1)c1c(Cl)ccc(F)c1Cl |
Homo sapiens |
CHEMBL1066398 |
single protein format |
CHEMBL1684800 |
OBDepict
H
3
C
O
N
N
NH
2
N
H
O
CH
3
N
H
NH
O
Cl
F
F
F
|
IC50 |
= |
277.1 |
nM |
572.98 |
COc1ccc(Cn2ncc(NC(=O)c3cc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)ccc3C)c2N)cc1 |
Homo sapiens |
CHEMBL1687374 |
single protein format |
CHEMBL601719 |
OBDepict
NH
2
N
O
CH
3
H
N
N
Cl
Cl
F
HN
|
IC50 |
= |
300.0 |
nM |
450.35 |
C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl |
Homo sapiens |
CHEMBL976904 |
single protein format |
CHEMBL2442124 |
OBDepict
NH
2
N
S
CH
3
H
N
N
Cl
Cl
F
HN
|
IC50 |
= |
336.4 |
nM |
466.41 |
C[C@@H](Sc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl |
Homo sapiens |
CHEMBL2447157 |
single protein format |
CHEMBL4584949 |
OBDepict
O
N
H
N
O
F
NH
N
N
O
CH
3
F
|
IC50 |
= |
346.0 |
nM |
539.54 |
Cn1cc(-c2ccc(F)cc2)c(=O)c2c(Nc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)c(F)c3)nccc21 |
Homo sapiens |
CHEMBL4376518 |
assay format |
CHEMBL3609806 |
OBDepict
O
N
H
N
N
O
N
F
O
S
N
N
N
H
3
C
|
IC50 |
= |
361.0 |
nM |
565.59 |
Cn1cnc(-c2cc3nccc(Oc4ccc(N5CC(=O)Nc6c(cnn6-c6ccccc6)C5=O)cc4F)c3s2)c1 |
Homo sapiens |
CHEMBL3611224 |
single protein format |
CHEMBL2324117 |
OBDepict
NH
2
O
HO
O
N
N
N
CH
3
|
IC50 |
= |
403.0 |
nM |
360.37 |
Cn1cc(-c2cnc3ccc4ccc(C(O)C(N)=O)cc4c(=O)c3c2)cn1 |
Homo sapiens |
CHEMBL2327589 |
single protein format |
CHEMBL600632 |
OBDepict
O
N
H
HN
F
F
F
F
O
S
N
N
N
CH
3
|
IC50 |
= |
410.0 |
nM |
555.56 |
Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=O)CC(Nc5ccccc5)C(F)(F)F)cc4F)c3s2)c1 |
Homo sapiens |
CHEMBL1103914 |
cell-based format |
CHEMBL388978 |
OBDepict
CH
3
HN
H
H
O
H
O
N
H
3
C
H
3
C
N
O
N
H
|
IC50 |
= |
442.5 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL1919770 |
single protein format |
CHEMBL2376650 |
OBDepict
CH
3
N
N
N
H
O
O
N
O
H
H
3
C
H
Cl
Cl
F
|
IC50 |
= |
446.0 |
nM |
519.4 |
C[C@@H](Oc1c[nH]c(=O)c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1)c1c(Cl)ccc(F)c1Cl |
Homo sapiens |
CHEMBL2379876 |
single protein format |
CHEMBL602471 |
OBDepict
H
2
N
O
N
O
CH
3
H
Cl
Cl
F
|
IC50 |
= |
450.0 |
nM |
405.26 |
C[C@@H](Oc1ccc2ncc(/C=C/C(N)=O)cc2c1)c1c(Cl)ccc(F)c1Cl |
Homo sapiens |
CHEMBL1066398 |
single protein format |
CHEMBL3580678 |
OBDepict
H
3
C
N
N
S
N
O
F
N
CH
3
O
N
N
F
F
F
|
IC50 |
= |
580.0 |
nM |
592.58 |
CN(C(=O)c1cnn(-c2ccccc2)c1C(F)(F)F)c1ccc(Oc2ccnc3cc(-c4cn(C)cn4)sc23)c(F)c1 |
Homo sapiens |
CHEMBL3585031 |
cell-based format |
CHEMBL461648 |
OBDepict
H
3
C
O
O
H
3
C
O
N
F
N
O
N
CH
3
|
Ki |
= |
581.0 |
nM |
497.53 |
COc1cc2nccc(Oc3ccc(-c4cnc(Cc5ccccc5)n(C)c4=O)cc3F)c2cc1OC |
Homo sapiens |
CHEMBL971822 |
single protein format |
CHEMBL1086676 |
OBDepict
CH
3
N
N
S
N
O
F
N
H
O
N
N
|
IC50 |
= |
590.0 |
nM |
510.55 |
Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=O)c5cnn(-c6ccccc6)c5)cc4F)c3s2)c1 |
Homo sapiens |
CHEMBL1103914 |
cell-based format |
CHEMBL4074262 |
OBDepict
OH
N
N
N
N
N
N
N
CH
3
F
N
N
N
H
3
C
|
IC50 |
= |
731.0 |
nM |
484.5 |
CC(c1cc2cc(-c3cnn(C)c3)cnc2cc1F)n1nnc2ncc(-c3cnn(CCO)c3)nc21 |
Homo sapiens |
CHEMBL4021221 |
single protein format |
CHEMBL2324129 |
OBDepict
NH
2
O
O
N
N
N
CH
3
|
IC50 |
= |
861.0 |
nM |
344.37 |
Cn1cc(-c2cnc3ccc4ccc(CC(N)=O)cc4c(=O)c3c2)cn1 |
Homo sapiens |
CHEMBL2327589 |
single protein format |
CHEMBL2324116 |
OBDepict
NH
2
O
H
3
C
O
N
N
N
H
3
C
|
IC50 |
= |
912.0 |
nM |
358.4 |
CC(C(N)=O)c1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1 |
Homo sapiens |
CHEMBL2327589 |
single protein format |