molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3701266 |
|
IC50 |
= |
0.1 |
nM |
405.46 |
C=CC(=O)N1CC(N2C=C(C#Cc3cc(OC)cc(OC)c3)C3C(N)=NC=NC32)C1 |
Homo sapiens |
CHEMBL3705583 |
single protein format |
CHEMBL3701239 |
OBDepict
CH
N
O
H
N
N
N
N
H
2
N
O
O
H
3
C
CH
3
|
IC50 |
= |
0.2 |
nM |
416.44 |
C#CC(=O)N1CC[C@H](n2nc(C#Cc3cc(OC)cc(OC)c3)c3c(N)ncnc32)C1 |
Homo sapiens |
CHEMBL3705583 |
single protein format |
CHEMBL3937124 |
OBDepict
CH
3
O
S
CH
3
N
NH
2
N
N
N
Cl
HN
O
|
IC50 |
= |
0.2 |
nM |
456.96 |
COc1cc(C)cc2cc(-c3c(CN4CCNC(=O)C4)c(Cl)n4ncnc(N)c34)sc12 |
Homo sapiens |
CHEMBL3887675 |
single protein format |
CHEMBL4870179 |
OBDepict
CH
3
O
F
O
N
CH
3
F
O
N
H
3
C
N
N
H
|
IC50 |
= |
0.27 |
nM |
374.35 |
COc1cc(OC)c(F)c(N2Cc3cnc4[nH]ccc4c3N(C)C2=O)c1F |
Homo sapiens |
CHEMBL4810139 |
single protein format |
CHEMBL3701241 |
OBDepict
CH
2
N
O
N
N
N
N
H
2
N
O
O
H
3
C
CH
3
|
IC50 |
= |
0.3 |
nM |
404.43 |
C=CC(=O)N1CC(n2nc(C#Cc3cc(OC)cc(OC)c3)c3c(N)ncnc32)C1 |
Homo sapiens |
CHEMBL3705583 |
single protein format |
CHEMBL4443370 |
OBDepict
H
3
C
N
N
N
H
NH
O
H
3
C
H
N
N
N
N
H
N
H
CH
3
O
H
CH
3
|
IC50 |
= |
0.3731 |
nM |
499.58 |
C[C@H]1CN(c2ccc3nc(-c4c(N[C@@H](C)c5ncccn5)c5nn(C)cc5[nH]c4=O)[nH]c3c2)C[C@@H](C)O1 |
Homo sapiens |
CHEMBL4400500 |
single protein format |
CHEMBL4577380 |
OBDepict
CH
3
N
N
N
H
HN
O
CH
3
H
N
N
N
N
H
N
N
O
|
IC50 |
= |
0.4113 |
nM |
472.51 |
C[C@H](Nc1c(-c2nc3cnc(N4CCOCC4)cc3[nH]2)c(=O)[nH]c2cn(C)nc12)c1ncccn1 |
Homo sapiens |
CHEMBL4400500 |
single protein format |
CHEMBL3690444 |
OBDepict
HO
N
H
H
3
C
CH
3
N
N
N
N
N
H
N
H
O
F
F
F
|
IC50 |
= |
0.447 |
nM |
499.5 |
CC(C)(CO)Nc1ccc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nn1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3690562 |
OBDepict
O
N
H
N
H
F
F
F
N
N
N
N
N
N
|
IC50 |
= |
0.46 |
nM |
478.44 |
O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4nccc(-n5ccnc5)n4)ccn23)c1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL4529789 |
OBDepict
H
3
C
N
N
N
H
NH
O
H
3
C
H
N
N
N
N
H
F
N
O
|
IC50 |
= |
0.48 |
nM |
489.52 |
C[C@H](Nc1c(-c2nc3c(F)cc(N4CCOCC4)cc3[nH]2)c(=O)[nH]c2cn(C)nc12)c1ncccn1 |
Homo sapiens |
CHEMBL4400500 |
single protein format |
CHEMBL3690492 |
OBDepict
OH
N
N
N
N
N
NH
N
H
O
F
F
F
|
IC50 |
= |
0.484 |
nM |
511.51 |
O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccc(N5CCCC(O)C5)nn4)ccn23)c1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3647342 |
OBDepict
O
HN
N
H
F
F
F
N
N
N
N
CH
3
|
IC50 |
= |
0.49 |
nM |
414.39 |
Cn1cnc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)c1 |
Homo sapiens |
CHEMBL3705596 |
single protein format |
CHEMBL4862823 |
OBDepict
CH
3
O
F
O
N
CH
3
Cl
O
N
H
3
C
N
N
H
|
IC50 |
= |
0.49 |
nM |
390.8 |
COc1cc(OC)c(Cl)c(N2Cc3cnc4[nH]ccc4c3N(C)C2=O)c1F |
Homo sapiens |
CHEMBL4810139 |
single protein format |
CHEMBL3701262 |
OBDepict
H
3
C
O
O
H
3
C
N
H
2
N
N
N
H
N
O
HO
CH
3
CH
3
|
IC50 |
= |
0.5 |
nM |
473.53 |
COc1cc(C#Cc2cn([C@H]3CCN(C(=O)C#CC(C)(C)O)C3)c3ncnc(N)c23)cc(OC)c1 |
Homo sapiens |
CHEMBL3705583 |
single protein format |
CHEMBL3911335 |
OBDepict
H
3
C
O
S
H
3
C
N
H
2
N
N
N
N
H
Cl
OH
CH
3
H
3
C
|
IC50 |
= |
0.5 |
nM |
445.98 |
COc1cc(C)cc2cc(-c3c(CNCC(C)(C)O)c(Cl)n4ncnc(N)c34)sc12 |
Homo sapiens |
CHEMBL3887675 |
single protein format |
CHEMBL4294625 |
OBDepict
OH
O
O
N
N
H
O
CH
3
N
N
H
O
N
HO
|
IC50 |
= |
0.5 |
nM |
573.65 |
CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(CCO)CC5)cc4)c3)c(OCCO)cc21 |
Homo sapiens |
CHEMBL4271734 |
assay format |
CHEMBL3701238 |
OBDepict
CH
2
N
O
H
N
N
N
N
H
2
N
O
O
CH
3
CH
3
|
IC50 |
= |
0.5 |
nM |
418.46 |
C=CC(=O)N1CC[C@H](n2nc(C#Cc3cc(OC)cc(OC)c3)c3c(N)ncnc32)C1 |
Homo sapiens |
CHEMBL3705583 |
single protein format |
CHEMBL3690458 |
OBDepict
O
NH
NH
F
F
F
N
N
N
N
N
HN
O
|
IC50 |
= |
0.53 |
nM |
510.48 |
O=C1CN(c2ccc(-c3ccn4c(-c5cccc(NC(=O)NCC(F)(F)F)c5)cnc4c3)nn2)CCN1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3690438 |
OBDepict
H
2
N
N
N
N
N
N
N
H
N
H
O
F
F
F
|
IC50 |
= |
0.535 |
nM |
510.52 |
NC1CCN(c2ccc(-c3ccn4c(-c5cccc(NC(=O)NCC(F)(F)F)c5)cnc4c3)nn2)CC1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3639935 |
OBDepict
O
HN
N
H
F
F
F
N
N
N
S
N
NH
2
|
IC50 |
= |
0.54 |
nM |
433.42 |
Nc1nnc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)s1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3690411 |
OBDepict
O
NH
N
H
F
F
F
N
N
N
N
O
|
IC50 |
= |
0.542 |
nM |
470.46 |
O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4cnn(C5CCOC5)c4)ccn23)c1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3686065 |
OBDepict
CH
3
N
N
N
N
N
N
H
NH
O
F
F
F
|
IC50 |
= |
0.545 |
nM |
497.53 |
CN1CCC(n2cc(-c3ccn4c(-c5cccc(NC(=O)NCC(F)(F)F)c5)cnc4c3)cn2)CC1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3686066 |
OBDepict
O
NH
N
H
F
F
F
N
N
N
N
N
|
IC50 |
= |
0.55 |
nM |
495.51 |
O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccc(N5CCCCC5)nn4)ccn23)c1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3690501 |
OBDepict
O
HN
HN
F
F
F
N
N
N
N
N
O
CH
3
|
IC50 |
= |
0.56 |
nM |
537.55 |
CC(=O)N1CCN(c2ccc(-c3ccn4c(-c5cccc(NC(=O)NCC(F)(F)F)c5)cnc4c3)cn2)CC1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3690430 |
OBDepict
OH
HN
N
N
N
N
N
H
N
H
O
F
F
F
|
IC50 |
= |
0.569 |
nM |
471.44 |
O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccc(NCCO)nn4)ccn23)c1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3686063 |
OBDepict
O
N
H
N
H
F
F
F
N
N
N
N
HN
|
IC50 |
= |
0.57 |
nM |
483.5 |
O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4cnn(C5CCNCC5)c4)ccn23)c1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3690408 |
OBDepict
NH
N
N
N
N
CH
3
N
H
NH
O
F
F
F
|
IC50 |
= |
0.582 |
nM |
499.54 |
CCN1CCC(/N=C/C(C=N)c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)C1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3690409 |
OBDepict
O
NH
N
H
F
F
F
N
N
N
N
N
H
|
IC50 |
= |
0.603 |
nM |
469.47 |
O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4cnn(C5CCNC5)c4)ccn23)c1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3690475 |
OBDepict
O
HN
HN
F
F
F
N
N
N
N
N
CH
3
CH
3
|
IC50 |
= |
0.61 |
nM |
455.44 |
CN(C)c1ccc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nn1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3690402 |
OBDepict
HN
N
N
N
N
CH
3
N
H
N
H
O
F
F
F
|
IC50 |
= |
0.61 |
nM |
499.54 |
CN1CCCC(/N=C/C(C=N)c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)C1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3690404 |
OBDepict
O
N
H
N
H
F
F
F
N
N
N
N
N
H
|
IC50 |
= |
0.612 |
nM |
483.5 |
O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4cnn(C5CCCNC5)c4)ccn23)c1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3690397 |
OBDepict
NH
N
N
N
N
H
3
C
CH
3
N
H
NH
O
F
F
F
|
IC50 |
= |
0.613 |
nM |
499.54 |
CC(C)N1CC(/N=C/C(C=N)c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)C1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3690380 |
OBDepict
O
HN
HN
F
F
F
N
N
NH
2
N
NH
O
|
IC50 |
= |
0.64 |
nM |
501.51 |
N=C(C/C=C(N)c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1)N1CCOCC1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3694708 |
OBDepict
CH
3
O
N
S
N
N
N
N
H
N
H
O
F
F
F
|
IC50 |
= |
0.643 |
nM |
476.48 |
COCCc1nnc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)s1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3690416 |
OBDepict
O
HN
N
H
F
F
F
N
N
N
S
NH
|
IC50 |
= |
0.675 |
nM |
472.5 |
O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4nc5c(s4)CNCC5)ccn23)c1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3929322 |
OBDepict
H
3
C
O
S
CH
3
N
NH
2
N
N
HN
N
H
O
H
3
C
O
CH
3
|
IC50 |
= |
0.7 |
nM |
452.54 |
COc1cc(C)cc2cc(-c3c(CNC(C)=O)c(CNC(C)=O)n4ncnc(N)c34)sc12 |
Homo sapiens |
CHEMBL3887675 |
single protein format |
CHEMBL3701274 |
OBDepict
H
3
C
O
O
H
3
C
N
H
2
N
N
N
N
O
N
H
OH
|
IC50 |
= |
0.7 |
nM |
502.58 |
COc1cc(C#Cc2cn(C3CN(C(=O)/C=C/CN4CC[C@H](O)C4)C3)c3ncnc(N)c23)cc(OC)c1 |
Homo sapiens |
CHEMBL3705583 |
single protein format |
CHEMBL3701267 |
OBDepict
H
3
C
O
O
H
3
C
N
H
2
N
N
N
N
O
N
CH
3
H
3
C
|
IC50 |
= |
0.7 |
nM |
460.54 |
COc1cc(C#Cc2cn(C3CN(C(=O)/C=C/CN(C)C)C3)c3ncnc(N)c23)cc(OC)c1 |
Homo sapiens |
CHEMBL3705583 |
single protein format |
CHEMBL3690387 |
OBDepict
O
N
H
N
H
F
F
F
N
N
N
S
N
N
|
IC50 |
= |
0.704 |
nM |
529.59 |
O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4nnc(CCN5CCCCC5)s4)ccn23)c1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3690484 |
OBDepict
HO
N
N
N
N
H
N
H
O
F
F
F
|
IC50 |
= |
0.704 |
nM |
455.44 |
O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccc(CCO)cn4)ccn23)c1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3647347 |
OBDepict
OH
N
N
N
N
NH
N
H
O
F
F
F
|
IC50 |
= |
0.704 |
nM |
444.42 |
O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4cnn(CCO)c4)ccn23)c1 |
Homo sapiens |
CHEMBL3705596 |
single protein format |
CHEMBL3690491 |
OBDepict
CH
3
N
H
N
N
N
N
N
H
N
H
O
F
F
F
|
IC50 |
= |
0.71 |
nM |
441.42 |
CNc1ccc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nn1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3690445 |
OBDepict
O
N
H
N
H
F
F
F
N
N
N
N
N
|
IC50 |
= |
0.715 |
nM |
467.46 |
O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccc(N5CCC5)nn4)ccn23)c1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3690439 |
OBDepict
H
3
C
N
N
H
N
N
N
N
N
H
N
H
O
F
F
F
|
IC50 |
= |
0.73 |
nM |
524.55 |
CN1CCC(Nc2ccc(-c3ccn4c(-c5cccc(NC(=O)NCC(F)(F)F)c5)cnc4c3)nn2)CC1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3690433 |
OBDepict
NH
N
N
N
CH
3
H
3
C
N
O
H
3
C
CH
3
N
H
N
H
O
F
F
F
|
IC50 |
= |
0.74 |
nM |
515.54 |
CN(C)C(=O)C(C)(C)/N=C/C(C=N)c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3647338 |
OBDepict
O
HN
N
H
F
F
F
N
N
N
S
N
CH
3
|
IC50 |
= |
0.78 |
nM |
432.43 |
Cc1nnc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)s1 |
Homo sapiens |
CHEMBL3705596 |
single protein format |
CHEMBL3690486 |
OBDepict
O
HN
HN
F
F
F
N
N
N
NH
2
|
IC50 |
= |
0.789 |
nM |
426.4 |
Nc1ccc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nc1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3647343 |
OBDepict
O
NH
N
H
F
F
F
N
N
N
N
CH
3
N
H
3
C
|
IC50 |
= |
0.79 |
nM |
429.41 |
Cc1c(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nnn1C |
Homo sapiens |
CHEMBL3705596 |
single protein format |
CHEMBL4862576 |
OBDepict
CH
3
O
O
N
CH
3
N
N
H
N
O
CH
3
CH
3
N
N
H
3
C
|
IC50 |
= |
0.8 |
nM |
462.55 |
COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)c(=O)n3c2)c1 |
Homo sapiens |
CHEMBL4838032 |
cell-based format |
CHEMBL3690401 |
OBDepict
O
HN
HN
F
F
F
N
N
N
N
HN
|
IC50 |
= |
0.807 |
nM |
455.44 |
O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4cnn(C5CNC5)c4)ccn23)c1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3690400 |
OBDepict
O
HN
HN
F
F
F
N
N
N
N
N
N
CH
3
CH
3
|
IC50 |
= |
0.82 |
nM |
538.58 |
CN(C)C1CCN(c2ccc(-c3ccn4c(-c5cccc(NC(=O)NCC(F)(F)F)c5)cnc4c3)nn2)CC1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3690590 |
OBDepict
O
NH
NH
F
F
F
N
N
N
H
2
N
N
CH
3
CH
3
|
IC50 |
= |
0.83 |
nM |
469.47 |
CC(C)c1cnc(N)nc1-c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3686060 |
OBDepict
O
NH
N
H
F
F
F
N
N
N
S
N
O
|
IC50 |
= |
0.83 |
nM |
488.5 |
O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4nnc(C5CCCO5)s4)ccn23)c1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3690454 |
OBDepict
O
HN
HN
F
F
F
N
N
N
CH
3
|
IC50 |
= |
0.84 |
nM |
425.41 |
Cc1ccc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nc1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3686061 |
OBDepict
CH
3
O
O
N
H
3
C
CH
3
N
N
N
HN
NH
O
F
F
F
|
IC50 |
= |
0.85 |
nM |
514.51 |
CCOC(=O)C(C)(C)n1cc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)cn1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3690583 |
OBDepict
CH
3
N
H
N
H
O
N
N
N
N
NH
2
F
F
F
|
IC50 |
= |
0.88 |
nM |
441.42 |
CCNC(=O)Nc1cccc(-c2cnc3cc(-c4ncc(C(F)(F)F)c(N)n4)ccn23)c1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3690474 |
OBDepict
HO
N
N
N
H
N
H
O
F
F
F
|
IC50 |
= |
0.89 |
nM |
454.45 |
O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccc(CCO)cc4)ccn23)c1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3690443 |
OBDepict
CH
3
O
N
H
N
N
N
N
N
H
N
H
O
F
F
F
|
IC50 |
= |
0.89 |
nM |
485.47 |
COCCNc1ccc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nn1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3951786 |
OBDepict
H
3
C
O
S
H
3
C
N
H
2
N
N
N
O
N
N
NH
|
IC50 |
= |
0.9 |
nM |
475.58 |
COc1cc(C)cc2cc(-c3c(-c4cnco4)c(CN4CCNCC4)n4ncnc(N)c34)sc12 |
Homo sapiens |
CHEMBL3887675 |
single protein format |
CHEMBL3690506 |
OBDepict
O
N
H
N
H
N
F
F
F
N
N
N
N
HN
|
IC50 |
= |
0.93 |
nM |
484.49 |
O=C(NCC(F)(F)F)Nc1cncc(-c2cnc3cc(-c4cnn(C5CCNCC5)c4)ccn23)c1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3690455 |
OBDepict
HO
N
N
N
N
H
N
H
O
F
F
F
|
IC50 |
= |
0.94 |
nM |
441.41 |
O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccc(CO)cn4)ccn23)c1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3694645 |
OBDepict
H
3
C
O
CH
3
NH
N
N
H
O
N
F
F
F
S
N
N
N
CH
3
|
IC50 |
= |
0.96 |
nM |
529.55 |
Cc1cn2nc(-c3ccn4c(-c5cc(NC(=O)NCC(F)(F)F)cc(OC(C)C)c5)cnc4c3)sc2n1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL4568760 |
OBDepict
CH
3
HN
H
N
N
N
N
N
O
N
N
H
H
CH
3
H
3
C
N
O
|
IC50 |
= |
0.9714 |
nM |
499.58 |
CC[C@H](Nc1c(-c2nc3cc(C)c(N4CCOCC4)cc3[nH]2)c(=O)[nH]c2cn(C)nc12)c1ncccn1 |
Homo sapiens |
CHEMBL4400500 |
single protein format |
CHEMBL3690554 |
OBDepict
CH
3
O
N
N
N
N
H
N
H
O
F
F
F
|
IC50 |
= |
0.99 |
nM |
441.41 |
COc1ccc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nc1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3694681 |
OBDepict
O
NH
N
H
F
F
F
N
N
N
S
N
N
H
N
|
IC50 |
= |
0.99 |
nM |
510.51 |
O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4nnc(Nc5cccnc5)s4)ccn23)c1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL4091628 |
OBDepict
CH
3
N
N
F
F
F
HN
O
Cl
N
N
O
|
IC50 |
= |
1.0 |
nM |
598.07 |
CN1CCN(Cc2ccc(NC(=O)c3ccc(Cl)c(C#Cc4cncc(N5CCOCC5)c4)c3)cc2C(F)(F)F)CC1 |
Homo sapiens |
CHEMBL4002767 |
single protein format |
CHEMBL3690567 |
OBDepict
CH
3
HN
N
S
N
CH
3
N
N
N
H
N
H
O
F
F
F
|
IC50 |
= |
1.0 |
nM |
487.51 |
CNc1cc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nc(SC)n1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL1852688 |
OBDepict
CH
3
N
N
N
H
N
N
N
CH
3
N
H
O
Cl
Cl
O
O
H
3
C
H
3
C
|
IC50 |
= |
1.0 |
nM |
560.49 |
CCN1CCN(c2ccc(Nc3cc(N(C)C(=O)Nc4c(Cl)c(OC)cc(OC)c4Cl)ncn3)cc2)CC1 |
Homo sapiens |
CHEMBL3998329 |
single protein format |
CHEMBL4776177 |
OBDepict
CH
2
N
H
O
N
N
N
H
N
N
N
N
H
CH
3
H
3
C
H
3
C
|
IC50 |
= |
1.0 |
nM |
472.6 |
C=CC(=O)Nc1ccc(/C=C/c2nc(Nc3cc(C(C)C)[nH]n3)cc(N3CCN(C)CC3)n2)cc1 |
Homo sapiens |
CHEMBL4679674 |
cell-based format |
CHEMBL3694656 |
OBDepict
OH
N
S
N
N
N
NH
N
H
O
F
F
F
|
IC50 |
= |
1.0 |
nM |
462.46 |
O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4nnc(CCO)s4)ccn23)c1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3985178 |
OBDepict
CH
3
O
N
N
N
S
NH
2
N
H
3
C
H
2
N
O
CH
3
CH
3
|
IC50 |
= |
1.0 |
nM |
480.64 |
CCOCc1c(-c2cc3cc(C)cc(OC)c3s2)c2c(N)ncnn2c1CN1CC[C@](C)(N)C1 |
Homo sapiens |
CHEMBL3887675 |
single protein format |
CHEMBL3690405 |
OBDepict
CH
3
N
N
N
N
N
N
H
N
H
O
F
F
F
|
IC50 |
= |
1.05 |
nM |
469.47 |
CN1CC(n2cc(-c3ccn4c(-c5cccc(NC(=O)NCC(F)(F)F)c5)cnc4c3)cn2)C1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL4461304 |
OBDepict
H
3
C
N
N
N
N
H
HN
O
N
N
H
H
N
N
H
3
C
CH
3
CH
3
|
IC50 |
= |
1.061 |
nM |
511.63 |
CC(C)[C@H](Nc1c(-c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)c(=O)[nH]c2cn(C)nc12)c1ccccn1 |
Homo sapiens |
CHEMBL4400500 |
single protein format |
CHEMBL3690373 |
OBDepict
O
NH
NH
F
F
F
N
N
S
N
|
IC50 |
= |
1.1 |
nM |
457.48 |
O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4nc5c(s4)CCC5)ccn23)c1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3690377 |
OBDepict
H
3
C
N
N
N
N
N
N
N
H
N
H
O
F
F
F
|
IC50 |
= |
1.1 |
nM |
510.52 |
CN1CCN(c2ccc(-c3ccn4c(-c5cccc(NC(=O)NCC(F)(F)F)c5)cnc4c3)nn2)CC1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3690557 |
OBDepict
O
HN
HN
F
F
F
N
N
N
O
NH
2
|
IC50 |
= |
1.1 |
nM |
454.41 |
NC(=O)c1ccc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nc1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3690434 |
OBDepict
O
NH
N
H
F
F
F
N
N
N
N
H
3
C
CH
3
N
H
O
|
IC50 |
= |
1.1 |
nM |
525.54 |
CC(C)(C(=O)NC1CC1)n1cc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)cn1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3686064 |
OBDepict
O
HN
N
H
F
F
F
N
N
N
N
CH
3
H
3
C
O
OH
|
IC50 |
= |
1.15 |
nM |
486.45 |
CC(C)(C(=O)O)n1cc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)cn1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3690485 |
OBDepict
O
HN
HN
N
F
F
F
N
N
N
N
HN
|
IC50 |
= |
1.2 |
nM |
456.43 |
O=C(NCC(F)(F)F)Nc1cncc(-c2cnc3cc(-c4cnn(C5CNC5)c4)ccn23)c1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL4763773 |
OBDepict
CH
3
O
N
N
H
N
N
N
N
H
3
C
F
F
O
O
CH
3
CH
3
|
IC50 |
= |
1.2 |
nM |
582.7 |
COc1cc(Nc2ncc(CCc3c(F)c(OC)cc(OC)c3F)cn2)ccc1N1CCC(N2CCN(C)CC2)CC1 |
Homo sapiens |
CHEMBL4724596 |
assay format |
CHEMBL3690574 |
OBDepict
O
HN
HN
F
F
F
N
N
N
S
N
N
CH
3
|
IC50 |
= |
1.2 |
nM |
471.47 |
Cc1cn2nc(-c3ccn4c(-c5cccc(NC(=O)NCC(F)(F)F)c5)cnc4c3)sc2n1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL4863146 |
OBDepict
CH
3
O
Cl
O
N
CH
3
Cl
O
N
H
3
C
N
N
H
|
IC50 |
= |
1.2 |
nM |
407.26 |
COc1cc(OC)c(Cl)c(N2Cc3cnc4[nH]ccc4c3N(C)C2=O)c1Cl |
Homo sapiens |
CHEMBL4810139 |
single protein format |
CHEMBL4297522 |
OBDepict
CH
3
N
O
N
N
N
F
F
H
O
O
N
H
3
C
H
3
C
O
|
IC50 |
= |
1.2 |
nM |
487.51 |
CCN1C(=O)N(c2c(F)c(OC)cc(OC)c2F)Cc2cnc3[nH]c(CN4CCOCC4)cc3c21 |
Homo sapiens |
CHEMBL4838113 |
single protein format |
CHEMBL3686062 |
OBDepict
O
NH
N
H
F
F
F
N
N
N
|
IC50 |
= |
1.2 |
nM |
411.39 |
O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccccn4)ccn23)c1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3681290 |
OBDepict
H
3
C
N
O
N
N
H
O
N
NH
2
N
N
N
H
H
3
C
|
IC50 |
= |
1.2 |
nM |
496.58 |
CC(=O)N1CCN(Cc2ccc3cc(C(=O)c4cnn(-c5ccc6[nH]c(C)nc6c5)c4N)[nH]c3c2)CC1 |
Homo sapiens |
CHEMBL3705410 |
single protein format |
CHEMBL3647349 |
OBDepict
O
NH
N
H
F
F
F
N
N
N
CH
3
N
H
3
C
H
3
C
|
IC50 |
= |
1.24 |
nM |
442.45 |
Cc1nc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)c(C)n1C |
Homo sapiens |
CHEMBL3705596 |
single protein format |
CHEMBL3690432 |
OBDepict
NH
N
N
N
CH
3
H
3
C
N
H
O
CH
3
N
H
N
H
O
F
F
F
|
IC50 |
= |
1.25 |
nM |
501.51 |
CNC(=O)C(C)(C)/N=C/C(C=N)c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3690417 |
OBDepict
O
NH
HN
F
F
F
N
N
N
S
N
O
O
CH
3
CH
3
CH
3
|
IC50 |
= |
1.25 |
nM |
572.61 |
CC(C)(C)OC(=O)N1CCc2nc(-c3ccn4c(-c5cccc(NC(=O)NCC(F)(F)F)c5)cnc4c3)sc2C1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3690471 |
OBDepict
O
NH
NH
F
F
F
N
N
N
NH
2
|
IC50 |
= |
1.3 |
nM |
426.4 |
Nc1ccnc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)c1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3694696 |
OBDepict
O
NH
NH
F
F
F
F
N
N
N
N
NH
2
F
|
IC50 |
= |
1.3 |
nM |
463.37 |
Nc1nc(-c2ccn3c(-c4cc(F)cc(NC(=O)NCC(F)(F)F)c4)cnc3c2)ncc1F |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3690555 |
OBDepict
CH
3
S
N
N
NH
2
N
N
N
H
N
H
O
F
F
F
|
IC50 |
= |
1.3 |
nM |
473.48 |
CSc1nc(N)cc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)n1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3690460 |
OBDepict
O
NH
NH
F
F
F
N
N
N
CH
3
|
IC50 |
= |
1.3 |
nM |
425.41 |
Cc1ccnc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)c1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3690403 |
OBDepict
O
HN
N
H
F
F
F
N
N
N
N
N
O
O
H
3
C
H
3
C
CH
3
|
IC50 |
= |
1.3 |
nM |
583.62 |
CC(C)(C)OC(=O)N1CCCC(n2cc(-c3ccn4c(-c5cccc(NC(=O)NCC(F)(F)F)c5)cnc4c3)cn2)C1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3690469 |
OBDepict
O
NH
NH
F
F
F
N
N
N
NH
2
|
IC50 |
= |
1.39 |
nM |
426.4 |
Nc1cccc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)n1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3943773 |
OBDepict
CH
3
O
S
CH
3
N
NH
2
N
N
N
H
3
C
HN
O
|
IC50 |
= |
1.4 |
nM |
436.54 |
COc1cc(C)cc2cc(-c3c(CN4CCNC(=O)C4)c(C)n4ncnc(N)c34)sc12 |
Homo sapiens |
CHEMBL3887675 |
single protein format |
CHEMBL4863224 |
OBDepict
CH
3
O
O
N
CH
3
F
O
N
H
3
C
N
N
H
|
IC50 |
= |
1.4 |
nM |
356.36 |
COc1cc(OC)c(F)c(N2Cc3cnc4[nH]ccc4c3N(C)C2=O)c1 |
Homo sapiens |
CHEMBL4810139 |
single protein format |
CHEMBL3920417 |
OBDepict
CH
3
O
S
CH
3
N
NH
2
N
N
N
HO
H
3
C
H
3
C
HN
O
|
IC50 |
= |
1.4 |
nM |
480.59 |
COc1cc(C)cc2cc(-c3c(CN4CCNC(=O)C4)c(C(C)(C)O)n4ncnc(N)c34)sc12 |
Homo sapiens |
CHEMBL3887675 |
single protein format |
CHEMBL3690435 |
OBDepict
NH
N
N
N
CH
3
H
3
C
O
NH
2
N
H
N
H
O
F
F
F
|
IC50 |
= |
1.45 |
nM |
487.49 |
CC(C)(/N=C/C(C=N)c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1)C(N)=O |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3690558 |
OBDepict
O
NH
NH
F
F
F
N
N
N
H
2
N
N
CH
3
|
IC50 |
= |
1.5 |
nM |
441.42 |
Cc1nc(N)cc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)n1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |
CHEMBL3690446 |
OBDepict
O
NH
N
H
F
F
F
N
N
N
|
IC50 |
= |
1.54 |
nM |
411.39 |
O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccncc4)ccn23)c1 |
Homo sapiens |
CHEMBL3705512 |
single protein format |