molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL73737 |
|
Ki |
= |
0.46 |
nM |
377.84 |
N=C(N)c1ccc2[nH]c(-c3cc(Cl)cc(-c4cccc(N)c4)c3O)nc2c1 |
Homo sapiens |
CHEMBL815982 |
single protein format |
CHEMBL104166 |
OBDepict
H
2
N
NH
O
N
H
N
N
NH
NH
2
|
IC50 |
= |
0.62 |
nM |
411.47 |
N=C(N)c1ccc2cc(C(=O)Nc3ccc(CN)cc3)cc(Nc3ncccn3)c2c1 |
Homo sapiens |
CHEMBL4200656 |
single protein format |
CHEMBL104166 |
OBDepict
H
2
N
NH
O
N
H
N
N
NH
NH
2
|
Ki |
= |
0.62 |
nM |
411.47 |
N=C(N)c1ccc2cc(C(=O)Nc3ccc(CN)cc3)cc(Nc3ncccn3)c2c1 |
Homo sapiens |
CHEMBL819123 |
single protein format |
CHEMBL226714 |
OBDepict
CH
3
N
N
O
N
H
S
O
O
N
N
Cl
NH
2
NH
2
|
Ki |
= |
1.4 |
nM |
494.02 |
CN1CCN(C(=O)C2(NS(=O)(=O)c3ccc4c(Cl)cnc(N=C(N)N)c4c3)CCCC2)CC1 |
Homo sapiens |
CHEMBL917014 |
single protein format |
CHEMBL228113 |
OBDepict
NH
2
N
NH
2
N
Cl
S
N
H
O
O
N
O
O
|
Ki |
= |
1.6 |
nM |
480.98 |
NC(N)=Nc1ncc(Cl)c2ccc(S(=O)(=O)NC3(C(=O)N4CCOCC4)CCCC3)cc12 |
Homo sapiens |
CHEMBL917014 |
single protein format |
CHEMBL104505 |
OBDepict
O
N
H
HN
N
N
HN
NH
2
|
Ki |
= |
2.0 |
nM |
382.43 |
N=C(N)c1ccc2cc(C(=O)Nc3ccccc3)cc(Nc3ncccn3)c2c1 |
Homo sapiens |
CHEMBL819123 |
single protein format |
CHEMBL320233 |
OBDepict
CH
3
S
O
O
O
N
H
O
NH
NH
2
O
|
Ki |
= |
2.1 |
nM |
531.63 |
CCS(=O)(=O)c1cc(-c2cc(C(=O)Nc3cccc(OC4CCCC4)c3)cc3ccc(C(=N)N)cc23)co1 |
Homo sapiens |
CHEMBL819123 |
single protein format |
CHEMBL227607 |
OBDepict
H
3
C
N
CH
3
N
S
O
O
N
N
Cl
H
2
N
NH
2
O
OH
|
Ki |
= |
2.6 |
nM |
482.99 |
CN(C)CCN(C1(C(=O)O)CCCC1)S(=O)(=O)c1ccc2c(Cl)cnc(N=C(N)N)c2c1 |
Homo sapiens |
CHEMBL917014 |
single protein format |
CHEMBL393591 |
OBDepict
CH
3
O
NH
O
P
O
O
O
N
H
HN
NH
2
|
IC50 |
= |
3.1 |
nM |
468.45 |
COC(=O)NC(Cc1ccc(NC(=N)N)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 |
Homo sapiens |
CHEMBL902744 |
single protein format |
CHEMBL367004 |
OBDepict
OH
O
F
F
F
OH
N
H
H
N
H
O
S
O
O
CH
3
H
N
H
O
H
HO
N
HN
NH
2
|
IC50 |
= |
3.1 |
nM |
598.6 |
C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)CCc1ccccc1)C(=O)N[C@H]1CCCN(C(=N)N)C1O.O=C(O)C(F)(F)F |
Homo sapiens |
CHEMBL816999 |
single protein format |
CHEMBL393979 |
OBDepict
H
3
C
O
HN
O
P
O
O
O
HN
N
H
O
H
3
C
O
CH
3
N
H
NH
NH
2
|
IC50 |
= |
3.4 |
nM |
582.55 |
COC(=O)NC(Cc1ccc(NC(=N)N)cc1)P(=O)(Oc1ccc(NC(C)=O)cc1)Oc1ccc(NC(C)=O)cc1 |
Homo sapiens |
CHEMBL902744 |
single protein format |
CHEMBL182959 |
OBDepict
NH
2
NH
HN
N
N
|
Ki |
= |
5.0 |
nM |
379.47 |
N=C(N)c1ccc2cc(C3CC3c3ccccc3)cc(Nc3ncccn3)c2c1 |
Homo sapiens |
CHEMBL830381 |
single protein format |
CHEMBL176515 |
OBDepict
OH
N
H
H
N
H
O
S
O
O
CH
3
H
N
H
O
H
HO
N
HN
NH
2
|
IC50 |
= |
5.1 |
nM |
470.55 |
C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)N[C@H]1CCCN(C(=N)N)C1O |
Homo sapiens |
CHEMBL816999 |
single protein format |
CHEMBL374378 |
OBDepict
NH
2
N
NH
2
N
Cl
S
N
H
O
O
O
HO
|
Ki |
= |
5.8 |
nM |
411.87 |
NC(N)=Nc1ncc(Cl)c2ccc(S(=O)(=O)NC3(C(=O)O)CCCC3)cc12 |
Homo sapiens |
CHEMBL917014 |
single protein format |
CHEMBL108447 |
OBDepict
H
3
C
NH
N
H
O
NH
H
2
N
|
Ki |
= |
6.3 |
nM |
372.47 |
CCC1CNCc2ccc(NC(=O)c3ccc4cc(C(=N)N)ccc4c3)cc21 |
Homo sapiens |
CHEMBL815981 |
single protein format |
CHEMBL238493 |
OBDepict
NH
2
N
H
HN
P
N
H
O
O
O
S
O
O
CH
3
|
IC50 |
= |
6.6 |
nM |
488.51 |
CS(=O)(=O)NC(Cc1ccc(NC(=N)N)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 |
Homo sapiens |
CHEMBL902744 |
single protein format |
CHEMBL239535 |
OBDepict
NH
2
N
H
HN
P
NH
O
O
O
O
O
|
IC50 |
= |
7.0 |
nM |
544.55 |
N=C(N)Nc1ccc(CC(NC(=O)OCc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 |
Homo sapiens |
CHEMBL902744 |
single protein format |
CHEMBL239747 |
OBDepict
NH
2
N
H
HN
P
NH
O
O
O
O
CH
3
|
IC50 |
= |
7.2 |
nM |
452.45 |
CC(=O)NC(Cc1ccc(NC(=N)N)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 |
Homo sapiens |
CHEMBL902744 |
single protein format |
CHEMBL227666 |
OBDepict
H
2
N
N
H
2
N
N
Cl
S
NH
O
O
O
OH
O
|
Ki |
= |
7.4 |
nM |
427.87 |
NC(N)=Nc1ncc(Cl)c2ccc(S(=O)(=O)NC3(C(=O)O)CCOCC3)cc12 |
Homo sapiens |
CHEMBL917014 |
single protein format |
CHEMBL228170 |
OBDepict
NH
2
N
NH
2
N
Cl
S
N
H
O
O
O
HO
|
Ki |
= |
7.4 |
nM |
397.84 |
NC(N)=Nc1ncc(Cl)c2ccc(S(=O)(=O)NC3(C(=O)O)CCC3)cc12 |
Homo sapiens |
CHEMBL917014 |
single protein format |
CHEMBL158405 |
OBDepict
OH
N
H
H
N
H
O
S
O
O
CH
3
H
NH
O
HN
NH
2
|
Ki |
= |
7.7 |
nM |
461.54 |
C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(C(=N)N)cc1 |
Homo sapiens |
CHEMBL842154 |
single protein format |
CHEMBL238491 |
OBDepict
NH
2
N
H
HN
P
N
H
O
O
O
S
O
O
|
IC50 |
= |
7.7 |
nM |
564.6 |
N=C(N)Nc1ccc(CC(NS(=O)(=O)Cc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 |
Homo sapiens |
CHEMBL902744 |
single protein format |
CHEMBL3770794 |
OBDepict
NH
2
N
H
HN
P
O
O
O
|
IC50 |
= |
7.9 |
nM |
395.4 |
N=C(N)Nc1ccc(CCP(=O)(Oc2ccccc2)Oc2ccccc2)cc1 |
Homo sapiens |
CHEMBL3772680 |
single protein format |
CHEMBL239536 |
OBDepict
H
3
C
O
NH
O
P
O
O
O
HN
NH
H
2
N
|
IC50 |
= |
8.0 |
nM |
482.48 |
CCOC(=O)NC(Cc1ccc(NC(=N)N)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 |
Homo sapiens |
CHEMBL902744 |
single protein format |
CHEMBL227976 |
OBDepict
H
2
N
N
H
2
N
N
Cl
S
NH
O
O
O
OH
|
Ki |
= |
8.0 |
nM |
425.9 |
NC(N)=Nc1ncc(Cl)c2ccc(S(=O)(=O)NC3(C(=O)O)CCCCC3)cc12 |
Homo sapiens |
CHEMBL917014 |
single protein format |
CHEMBL96433 |
OBDepict
OH
N
H
NH
NH
2
|
Ki |
= |
8.0 |
nM |
327.39 |
N=C(N)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3O)cc2c1 |
Homo sapiens |
CHEMBL842146 |
single protein format |
CHEMBL59704 |
OBDepict
OH
O
N
H
NH
NH
2
|
Ki |
= |
8.0 |
nM |
343.39 |
N=C(N)c1ccc2[nH]c(-c3cccc(Oc4ccccc4)c3O)cc2c1 |
Homo sapiens |
CHEMBL814361 |
single protein format |
CHEMBL421214 |
OBDepict
CH
3
O
CH
3
HN
O
O
NH
H
2
N
|
Ki |
= |
8.5 |
nM |
417.51 |
CC(C)Oc1cccc(NC(=O)c2cc(C3CCOC3)c3cc(C(=N)N)ccc3c2)c1 |
Homo sapiens |
CHEMBL819123 |
single protein format |
CHEMBL339902 |
OBDepict
OH
N
H
Cl
NH
H
2
N
|
Ki |
= |
9.0 |
nM |
361.83 |
N=C(N)c1cc2cc(-c3cccc(-c4ccccc4)c3O)[nH]c2cc1Cl |
Homo sapiens |
CHEMBL842150 |
single protein format |
CHEMBL111512 |
OBDepict
CH
3
O
O
HO
N
N
Cl
NH
2
NH
2
|
Ki |
= |
9.0 |
nM |
370.8 |
COc1ccc(C(=O)O)cc1-c1ccc2c(Cl)cnc(N=C(N)N)c2c1 |
Homo sapiens |
CHEMBL814354 |
single protein format |
CHEMBL227990 |
OBDepict
HO
O
H
N
S
O
O
N
N
Cl
NH
2
H
2
N
|
Ki |
= |
9.9 |
nM |
397.84 |
NC(N)=Nc1ncc(Cl)c2ccc(S(=O)(=O)N3CCC[C@@H]3C(=O)O)cc12 |
Homo sapiens |
CHEMBL917014 |
single protein format |
CHEMBL227421 |
OBDepict
NH
2
N
H
2
N
N
Cl
S
N
H
O
O
CH
3
CH
3
O
HO
|
Ki |
= |
10.0 |
nM |
385.83 |
CC(C)(NS(=O)(=O)c1ccc2c(Cl)cnc(N=C(N)N)c2c1)C(=O)O |
Homo sapiens |
CHEMBL917014 |
single protein format |
CHEMBL362600 |
OBDepict
NH
2
NH
N
H
N
N
|
Ki |
= |
10.0 |
nM |
365.44 |
N=C(N)c1ccc2cc(/C=C/c3ccccc3)cc(Nc3ncccn3)c2c1 |
Homo sapiens |
CHEMBL830381 |
single protein format |
CHEMBL227931 |
OBDepict
OH
NH
O
HN
S
O
O
N
N
Cl
NH
2
H
2
N
|
Ki |
= |
10.0 |
nM |
454.94 |
NC(N)=Nc1ncc(Cl)c2ccc(S(=O)(=O)NC3(C(=O)NCCO)CCCC3)cc12 |
Homo sapiens |
CHEMBL917014 |
single protein format |
CHEMBL135723 |
OBDepict
I
O
O
HN
NH
NH
2
|
Ki |
= |
10.0 |
nM |
385.2 |
N=C(N)NCc1ccc(C2CC/C(=C/I)OC2=O)cc1 |
Homo sapiens |
CHEMBL814359 |
single protein format |
CHEMBL366964 |
OBDepict
OH
O
F
F
F
HO
N
H
H
N
H
O
S
O
O
H
3
C
H
N
H
O
H
OH
N
NH
H
2
N
|
IC50 |
= |
10.3 |
nM |
570.55 |
C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)c1ccccc1)C(=O)N[C@H]1CCCN(C(=N)N)C1O.O=C(O)C(F)(F)F |
Homo sapiens |
CHEMBL816999 |
single protein format |
CHEMBL366666 |
OBDepict
HO
N
H
H
N
O
O
O
N
H
O
H
OH
N
HN
NH
2
|
IC50 |
= |
11.0 |
nM |
462.51 |
N=C(N)N1CCC[C@H](NC(=O)C2CCN2C(=O)[C@@H](CO)NC(=O)OCc2ccccc2)C1O |
Homo sapiens |
CHEMBL816999 |
single protein format |
CHEMBL228204 |
OBDepict
NH
2
N
NH
2
N
Cl
S
N
O
O
H
3
C
O
HO
|
Ki |
= |
11.0 |
nM |
425.9 |
CN(C1(C(=O)O)CCCC1)S(=O)(=O)c1ccc2c(Cl)cnc(N=C(N)N)c2c1 |
Homo sapiens |
CHEMBL917014 |
single protein format |
CHEMBL62807 |
OBDepict
HO
O
N
N
H
H
H
H
3
C
F
HN
NH
2
|
Ki |
= |
11.0 |
nM |
382.44 |
C[C@H]1CCCC[C@@H]1Oc1cccc(-c2nc3cc(C(=N)N)c(F)cc3[nH]2)c1O |
Homo sapiens |
CHEMBL814361 |
single protein format |
CHEMBL227890 |
OBDepict
CH
3
N
HN
S
O
OH
O
O
N
N
Cl
NH
2
H
2
N
|
Ki |
= |
11.0 |
nM |
440.91 |
CN1CCC(NS(=O)(=O)c2ccc3c(Cl)cnc(N=C(N)N)c3c2)(C(=O)O)CC1 |
Homo sapiens |
CHEMBL917014 |
single protein format |
CHEMBL369042 |
OBDepict
HO
NH
N
O
O
O
H
N
H
O
OH
N
HN
NH
2
|
IC50 |
= |
12.4 |
nM |
476.53 |
N=C(N)N1CCCC(NC(=O)[C@H]2CCCN2C(=O)C(CO)NC(=O)OCc2ccccc2)C1O |
Homo sapiens |
CHEMBL816999 |
single protein format |
CHEMBL158939 |
OBDepict
OH
N
H
H
N
O
S
O
O
H
NH
O
NH
H
2
N
|
Ki |
= |
13.0 |
nM |
487.58 |
N=C(N)c1ccc(CNC(=O)[C@H]2CCCN2C(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)cc1 |
Homo sapiens |
CHEMBL842154 |
single protein format |
CHEMBL228173 |
OBDepict
CH
3
O
O
HN
S
O
O
N
N
Cl
NH
2
H
2
N
|
Ki |
= |
14.0 |
nM |
439.93 |
CCOC(=O)C1(NS(=O)(=O)c2ccc3c(Cl)cnc(N=C(N)N)c3c2)CCCC1 |
Homo sapiens |
CHEMBL917014 |
single protein format |
CHEMBL571837 |
OBDepict
NH
2
O
NH
2
N
F
O
N
F
N
H
3
C
O
OH
H
3
C
H
3
C
|
IC50 |
= |
15.0 |
nM |
589.64 |
Cc1ccc(C(=O)O)c(Oc2nc(Oc3cc(N)cc(-c4cccc(CN)c4)c3)c(F)c(N3CCC(N(C)C)C3)c2F)c1 |
Homo sapiens |
CHEMBL1042862 |
single protein format |
CHEMBL238902 |
OBDepict
OH
NH
H
HN
O
S
O
O
CH
3
H
N
H
O
N
H
NH
H
2
N
|
Ki |
= |
16.0 |
nM |
476.56 |
C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(NC(=N)N)cc1 |
Homo sapiens |
CHEMBL902744 |
single protein format |
CHEMBL111567 |
OBDepict
O
N
H
HN
NH
NH
2
|
Ki |
= |
16.5 |
nM |
344.42 |
N=C(N)c1ccc2cc(C(=O)Nc3ccc4c(c3)CCNC4)ccc2c1 |
Homo sapiens |
CHEMBL815981 |
single protein format |
CHEMBL321319 |
OBDepict
CH
3
S
O
O
O
N
H
O
NH
H
2
N
|
Ki |
= |
18.0 |
nM |
447.52 |
CCS(=O)(=O)c1cc(-c2cc(C(=O)Nc3ccccc3)cc3ccc(C(=N)N)cc23)co1 |
Homo sapiens |
CHEMBL819123 |
single protein format |
CHEMBL177557 |
OBDepict
HO
N
H
H
N
H
O
O
O
H
3
C
H
N
H
O
H
OH
N
NH
H
2
N
|
IC50 |
= |
19.0 |
nM |
450.5 |
C[C@H](NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1)C(=O)N[C@H]1CCCN(C(=N)N)C1O |
Homo sapiens |
CHEMBL816999 |
single protein format |
CHEMBL227422 |
OBDepict
CH
3
CH
3
HN
H
O
HO
S
O
O
N
N
Cl
NH
2
H
2
N
|
Ki |
= |
19.0 |
nM |
399.86 |
CC(C)[C@@H](NS(=O)(=O)c1ccc2c(Cl)cnc(N=C(N)N)c2c1)C(=O)O |
Homo sapiens |
CHEMBL917014 |
single protein format |
CHEMBL252937 |
OBDepict
OH
N
H
H
N
H
O
O
HN
H
S
OH
O
O
NH
H
2
N
|
IC50 |
= |
20.0 |
nM |
477.54 |
N=C(N)c1ccc(CNC(=O)[C@H](CO)NC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)cc1 |
Homo sapiens |
CHEMBL927669 |
single protein format |
CHEMBL127909 |
OBDepict
OH
N
H
F
NH
H
2
N
|
Ki |
= |
20.0 |
nM |
345.38 |
N=C(N)c1cc2cc(-c3cccc(-c4ccccc4)c3O)[nH]c2cc1F |
Homo sapiens |
CHEMBL842150 |
single protein format |
CHEMBL252937 |
OBDepict
OH
N
H
H
N
H
O
O
HN
H
S
OH
O
O
NH
H
2
N
|
Ki |
= |
20.0 |
nM |
477.54 |
N=C(N)c1ccc(CNC(=O)[C@H](CO)NC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)cc1 |
Homo sapiens |
CHEMBL3744183 |
single protein format |
CHEMBL4211423 |
OBDepict
NH
2
NH
HN
O
N
NH
2
N
N
N
N
NH
2
|
Ki |
= |
21.0 |
nM |
370.42 |
N=C(N)NC(=O)c1nc(-c2cnc(N)nc2)c(N2CCCCCC2)nc1N |
Homo sapiens |
CHEMBL4200610 |
single protein format |
CHEMBL223864 |
OBDepict
HO
O
HN
CH
3
H
S
O
O
N
N
Cl
NH
2
NH
2
|
Ki |
= |
21.0 |
nM |
371.81 |
C[C@H](NS(=O)(=O)c1ccc2c(Cl)cnc(N=C(N)N)c2c1)C(=O)O |
Homo sapiens |
CHEMBL917014 |
single protein format |
CHEMBL266435 |
OBDepict
OH
O
HN
H
H
3
C
H
3
C
CH
3
S
O
O
N
N
Cl
NH
2
H
2
N
|
Ki |
= |
22.0 |
nM |
413.89 |
CC(C)(C)[C@@H](NS(=O)(=O)c1ccc2c(Cl)cnc(N=C(N)N)c2c1)C(=O)O |
Homo sapiens |
CHEMBL917014 |
single protein format |
CHEMBL418839 |
OBDepict
H
3
C
O
CH
3
O
N
H
O
NH
H
2
N
|
Ki |
= |
22.0 |
nM |
431.54 |
CC(C)Oc1cc(NC(=O)c2ccc3cc(C(=N)N)ccc3c2)cc(OC2CCCC2)c1 |
Homo sapiens |
CHEMBL815981 |
single protein format |
CHEMBL571566 |
OBDepict
H
2
N
O
OH
N
F
O
F
CH
3
O
HO
|
IC50 |
= |
23.0 |
nM |
478.45 |
Cc1ccc(C(=O)O)c(Oc2nc(Oc3cc(O)cc(-c4cccc(CN)c4)c3)c(F)cc2F)c1 |
Homo sapiens |
CHEMBL1042862 |
single protein format |
CHEMBL4291446 |
OBDepict
H
3
C
O
O
N
F
O
H
2
N
F
H
CH
3
CH
3
CH
3
O
HO
|
IC50 |
= |
23.0 |
nM |
472.49 |
COc1cc(Oc2nc(O[C@@H](C(=O)O)C(C)(C)C)c(F)cc2F)cc(-c2cccc(CN)c2)c1 |
Homo sapiens |
CHEMBL4267485 |
single protein format |
CHEMBL388780 |
OBDepict
OH
O
H
N
S
O
O
N
N
Cl
NH
2
H
2
N
|
Ki |
= |
23.0 |
nM |
411.87 |
NC(N)=Nc1ncc(Cl)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C(=O)O)cc12 |
Homo sapiens |
CHEMBL917014 |
single protein format |
CHEMBL174813 |
OBDepict
OH
O
F
F
F
OH
N
H
H
NH
O
O
O
H
3
C
H
HN
O
H
3
C
H
3
C
H
HO
N
HN
NH
2
|
IC50 |
= |
23.1 |
nM |
530.5 |
CC(C)COC(=O)N[C@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(C(=N)N)C1O.O=C(O)C(F)(F)F |
Homo sapiens |
CHEMBL816999 |
single protein format |
CHEMBL442201 |
OBDepict
O
N
H
NH
H
3
C
CH
3
HN
NH
2
|
Ki |
= |
23.5 |
nM |
386.5 |
CC(C)C1NCCc2ccc(NC(=O)c3ccc4cc(C(=N)N)ccc4c3)cc21 |
Homo sapiens |
CHEMBL815981 |
single protein format |
CHEMBL94775 |
OBDepict
_
O
+
N
O
OH
N
H
HN
NH
2
|
Ki |
= |
25.0 |
nM |
372.38 |
N=C(N)c1ccc2[nH]c(-c3cc([N+](=O)[O-])cc(-c4ccccc4)c3O)cc2c1 |
Homo sapiens |
CHEMBL842145 |
single protein format |
CHEMBL111338 |
OBDepict
O
N
H
N
H
NH
NH
2
|
Ki |
= |
26.5 |
nM |
412.54 |
N=C(N)c1ccc2cc(C(=O)Nc3ccc4c(c3)C(C3CCCC3)NCC4)ccc2c1 |
Homo sapiens |
CHEMBL815981 |
single protein format |
CHEMBL376763 |
OBDepict
OH
O
N
H
3
C
H
S
O
O
N
N
Cl
NH
2
H
2
N
|
Ki |
= |
27.0 |
nM |
461.93 |
C[C@@H](C(=O)O)N(Cc1ccccc1)S(=O)(=O)c1ccc2c(Cl)cnc(N=C(N)N)c2c1 |
Homo sapiens |
CHEMBL917014 |
single protein format |
CHEMBL4520324 |
OBDepict
OH
N
H
H
N
H
O
S
O
O
H
NH
O
HN
H
2
N
|
Ki |
= |
28.0 |
nM |
551.67 |
N=C(N)c1ccc(CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)cc1 |
Homo sapiens |
CHEMBL4356328 |
single protein format |
CHEMBL111543 |
OBDepict
CH
3
O
CH
3
NH
O
O
CH
3
H
3
C
NH
H
2
N
|
Ki |
= |
28.0 |
nM |
405.5 |
CC(C)Oc1cc(NC(=O)c2ccc3cc(C(=N)N)ccc3c2)cc(OC(C)C)c1 |
Homo sapiens |
CHEMBL815981 |
single protein format |
CHEMBL227426 |
OBDepict
HO
O
HN
CH
3
H
S
O
O
N
N
Cl
NH
2
NH
2
|
Ki |
= |
28.0 |
nM |
371.81 |
C[C@@H](NS(=O)(=O)c1ccc2c(Cl)cnc(N=C(N)N)c2c1)C(=O)O |
Homo sapiens |
CHEMBL917014 |
single protein format |
CHEMBL182547 |
OBDepict
CH
3
N
NH
NH
2
|
Ki |
= |
28.0 |
nM |
437.63 |
CN1CCc2ccc(C3CC3c3ccc4cc(C(=N)N)ccc4c3)cc2C1C1CCCCC1 |
Homo sapiens |
CHEMBL830381 |
single protein format |
CHEMBL111575 |
OBDepict
O
N
H
O
NH
NH
2
|
Ki |
= |
28.0 |
nM |
373.46 |
N=C(N)c1ccc2cc(C(=O)Nc3cccc(OC4CCCC4)c3)ccc2c1 |
Homo sapiens |
CHEMBL815981 |
single protein format |
CHEMBL228172 |
OBDepict
HO
O
N
S
O
O
N
N
Cl
NH
2
H
2
N
|
Ki |
= |
29.0 |
nM |
433.88 |
NC(N)=Nc1ncc(Cl)c2ccc(S(=O)(=O)N(CC(=O)O)c3ccccc3)cc12 |
Homo sapiens |
CHEMBL917014 |
single protein format |
CHEMBL427456 |
OBDepict
H
3
C
N
CH
3
N
H
O
N
H
S
O
O
N
N
Cl
NH
2
NH
2
|
Ki |
= |
30.0 |
nM |
482.01 |
CN(C)CCNC(=O)C1(NS(=O)(=O)c2ccc3c(Cl)cnc(N=C(N)N)c3c2)CCCC1 |
Homo sapiens |
CHEMBL917014 |
single protein format |
CHEMBL103043 |
OBDepict
H
2
N
NH
N
H
N
N
|
Ki |
= |
30.0 |
nM |
263.3 |
N=C(N)c1ccc2cccc(Nc3ncccn3)c2c1 |
Homo sapiens |
CHEMBL814360 |
single protein format |
CHEMBL227425 |
OBDepict
OH
O
N
S
O
O
N
N
Cl
NH
2
H
2
N
|
Ki |
= |
31.0 |
nM |
439.93 |
NC(N)=Nc1ncc(Cl)c2ccc(S(=O)(=O)N(CC(=O)O)CC3CCCC3)cc12 |
Homo sapiens |
CHEMBL917014 |
single protein format |
CHEMBL293892 |
OBDepict
HO
O
N
N
H
H
H
H
3
C
F
HN
NH
2
|
Ki |
= |
32.0 |
nM |
382.44 |
C[C@@H]1CCCC[C@@H]1Oc1cccc(-c2nc3cc(C(=N)N)c(F)cc3[nH]2)c1O |
Homo sapiens |
CHEMBL814361 |
single protein format |
CHEMBL416674 |
OBDepict
OH
O
N
N
H
H
H
CH
3
F
NH
NH
2
|
Ki |
= |
32.0 |
nM |
368.41 |
C[C@H]1CCC[C@@H]1Oc1cccc(-c2nc3cc(C(=N)N)c(F)cc3[nH]2)c1O |
Homo sapiens |
CHEMBL814361 |
single protein format |
CHEMBL4288828 |
OBDepict
NH
2
O
N
N
F
O
F
H
H
3
C
H
3
C
CH
3
O
OH
|
IC50 |
= |
34.0 |
nM |
467.47 |
CC(C)(C)[C@@H](Oc1nc(Oc2cc(C#N)cc(-c3cccc(CN)c3)c2)c(F)cc1F)C(=O)O |
Homo sapiens |
CHEMBL4267485 |
single protein format |
CHEMBL70155 |
OBDepict
HO
O
H
N
H
N
O
O
N
NH
HN
O
CH
3
H
3
C
CH
3
|
IC50 |
= |
34.0 |
nM |
423.51 |
CC(C)(C)NC(=O)N1CCN(C(=O)N2C(=O)[C@H](CC3CCNCC3)[C@H]2C(=O)O)CC1 |
Homo sapiens |
CHEMBL818331 |
single protein format |
CHEMBL227995 |
OBDepict
OH
O
N
S
O
O
N
N
Cl
NH
2
H
2
N
|
Ki |
= |
35.0 |
nM |
447.9 |
NC(N)=Nc1ncc(Cl)c2ccc(S(=O)(=O)N(CC(=O)O)Cc3ccccc3)cc12 |
Homo sapiens |
CHEMBL917014 |
single protein format |
CHEMBL328772 |
OBDepict
NH
2
NH
N
H
OH
Br
|
Ki |
= |
35.0 |
nM |
330.19 |
N=C(N)c1ccc2[nH]c(-c3cccc(Br)c3O)cc2c1 |
Homo sapiens |
CHEMBL842146 |
single protein format |
CHEMBL323387 |
OBDepict
O
N
H
N
NH
NH
2
|
Ki |
= |
35.5 |
nM |
410.52 |
N=C(N)c1ccc2cc(C(=O)Nc3ccc4c(c3)C(C3CCCC3)=NCC4)ccc2c1 |
Homo sapiens |
CHEMBL815981 |
single protein format |
CHEMBL158936 |
OBDepict
OH
HN
H
N
H
O
S
O
O
N
H
O
NH
NH
2
|
Ki |
= |
36.0 |
nM |
447.52 |
N=C(N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)cc1 |
Homo sapiens |
CHEMBL842154 |
single protein format |
CHEMBL111576 |
OBDepict
H
2
N
NH
NH
N
Cl
O
HO
|
IC50 |
= |
37.0 |
nM |
340.77 |
N=C(N)Nc1ncc(Cl)c2ccc(-c3cccc(C(=O)O)c3)cc12 |
Homo sapiens |
CHEMBL927669 |
single protein format |
CHEMBL111576 |
OBDepict
H
2
N
NH
NH
N
Cl
O
HO
|
Ki |
= |
37.0 |
nM |
340.77 |
N=C(N)Nc1ncc(Cl)c2ccc(-c3cccc(C(=O)O)c3)cc12 |
Homo sapiens |
CHEMBL814354 |
single protein format |
CHEMBL111432 |
OBDepict
OH
N
H
O
NH
NH
2
|
Ki |
= |
38.0 |
nM |
319.36 |
N=C(N)c1ccc2cc(C(=O)Nc3ccc(CO)cc3)ccc2c1 |
Homo sapiens |
CHEMBL815981 |
single protein format |
CHEMBL52427 |
OBDepict
CH
3
OH
N
H
NH
H
2
N
|
Ki |
= |
38.0 |
nM |
341.41 |
Cc1cc(-c2ccccc2)c(O)c(-c2cc3cc(C(=N)N)ccc3[nH]2)c1 |
Homo sapiens |
CHEMBL842146 |
single protein format |
CHEMBL4217043 |
OBDepict
H
3
C
O
N
N
N
N
N
NH
O
NH
2
NH
H
2
N
|
IC50 |
= |
39.0 |
nM |
385.43 |
COc1ncc(-c2nc(C(=O)NC(=N)N)c(N)nc2N2CCCCCC2)cn1 |
Homo sapiens |
CHEMBL4200611 |
single protein format |
CHEMBL579027 |
OBDepict
H
2
N
O
NH
2
N
F
O
F
CH
3
O
HO
|
IC50 |
= |
39.0 |
nM |
477.47 |
Cc1ccc(C(=O)O)c(Oc2nc(Oc3cc(N)cc(-c4cccc(CN)c4)c3)c(F)cc2F)c1 |
Homo sapiens |
CHEMBL1042862 |
single protein format |
CHEMBL324168 |
OBDepict
NH
2
N
H
O
NH
NH
2
|
Ki |
= |
40.0 |
nM |
318.38 |
N=C(N)c1ccc2cc(C(=O)Nc3ccc(CN)cc3)ccc2c1 |
Homo sapiens |
CHEMBL815981 |
single protein format |
CHEMBL104211 |
OBDepict
CH
3
S
O
N
H
O
HN
NH
2
|
Ki |
= |
40.0 |
nM |
415.52 |
CCSc1cc(-c2cc(C(=O)Nc3ccccc3)cc3ccc(C(=N)N)cc23)co1 |
Homo sapiens |
CHEMBL819123 |
single protein format |
CHEMBL4208530 |
OBDepict
OH
NH
N
N
N
N
N
HN
O
NH
2
NH
NH
2
|
Ki |
= |
41.0 |
nM |
414.47 |
N=C(N)NC(=O)c1nc(-c2cnc(NCCO)nc2)c(N2CCCCCC2)nc1N |
Homo sapiens |
CHEMBL4200610 |
single protein format |
CHEMBL4215861 |
OBDepict
CH
3
NH
H
3
C
N
N
N
N
N
HN
O
NH
2
NH
H
2
N
|
Ki |
= |
42.0 |
nM |
412.5 |
CC(C)Nc1ncc(-c2nc(C(=O)NC(=N)N)c(N)nc2N2CCCCCC2)cn1 |
Homo sapiens |
CHEMBL4200610 |
single protein format |
CHEMBL4206764 |
OBDepict
CH
3
O
N
O
N
N
H
3
C
N
N
NH
O
NH
2
HN
NH
2
|
Ki |
= |
42.0 |
nM |
415.46 |
COc1ncc(-c2nc(C(=O)NC(=N)N)c(N)nc2N2CCCCCC2)c(OC)n1 |
Homo sapiens |
CHEMBL4200610 |
single protein format |
CHEMBL91962 |
OBDepict
Br
OH
N
H
HN
NH
2
|
Ki |
= |
43.0 |
nM |
406.28 |
N=C(N)c1ccc2[nH]c(-c3cc(Br)cc(-c4ccccc4)c3O)cc2c1 |
Homo sapiens |
CHEMBL842146 |
single protein format |
CHEMBL433510 |
OBDepict
H
3
C
CH
3
O
O
O
HN
H
NH
O
S
O
O
H
3
C
H
N
H
O
NH
NH
2
|
Ki |
= |
43.0 |
nM |
561.66 |
CC(C)COC(=O)OC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)NCc1ccc(C(=N)N)cc1 |
Homo sapiens |
CHEMBL842154 |
single protein format |
CHEMBL227606 |
OBDepict
NH
2
N
H
2
N
N
Cl
S
N
H
O
O
H
3
C
CH
3
O
HO
|
Ki |
= |
43.0 |
nM |
399.86 |
CC(C)(CNS(=O)(=O)c1ccc2c(Cl)cnc(N=C(N)N)c2c1)C(=O)O |
Homo sapiens |
CHEMBL917014 |
single protein format |
CHEMBL4204195 |
OBDepict
H
3
C
NH
N
N
N
N
N
NH
O
NH
2
NH
H
2
N
|
Ki |
= |
43.0 |
nM |
384.45 |
CNc1ncc(-c2nc(C(=O)NC(=N)N)c(N)nc2N2CCCCCC2)cn1 |
Homo sapiens |
CHEMBL4200610 |
single protein format |
CHEMBL181595 |
OBDepict
NH
2
NH
N
H
N
N
|
Ki |
= |
47.0 |
nM |
367.46 |
N=C(N)c1ccc2cc(CCc3ccccc3)cc(Nc3ncccn3)c2c1 |
Homo sapiens |
CHEMBL830381 |
single protein format |
CHEMBL185515 |
OBDepict
NH
2
NH
N
H
3
C
CH
3
H
3
C
|
Ki |
= |
47.0 |
nM |
397.57 |
CC(C)C1c2cc(C3CC3c3ccc4cc(C(=N)N)ccc4c3)ccc2CCN1C |
Homo sapiens |
CHEMBL830381 |
single protein format |
CHEMBL158814 |
OBDepict
OH
HN
H
N
H
O
S
O
O
N
H
O
NH
NH
2
|
Ki |
= |
48.0 |
nM |
453.57 |
N=C(N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)CC2CCCCC2)cc1 |
Homo sapiens |
CHEMBL842154 |
single protein format |
CHEMBL226716 |
OBDepict
OH
O
HN
S
O
O
N
N
Cl
NH
2
H
2
N
|
Ki |
= |
48.0 |
nM |
357.78 |
NC(N)=Nc1ncc(Cl)c2ccc(S(=O)(=O)NCC(=O)O)cc12 |
Homo sapiens |
CHEMBL917014 |
single protein format |