molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3732946 |
|
IC50 |
= |
0.0 |
nM |
363.89 |
Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc(Cl)c(C)c2)n1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3729949 |
OBDepict
CH
3
N
N
N
H
H
3
C
H
O
CH
3
N
N
H
|
IC50 |
= |
0.0 |
nM |
409.49 |
Cc1nc(N[C@@H](C)c2cccc(-c3cn[nH]c3)c2)cc(-c2ccc3occ(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3730496 |
OBDepict
Br
HN
H
3
C
H
N
CH
3
N
O
H
3
C
|
IC50 |
= |
0.0 |
nM |
422.33 |
Cc1nc(N[C@@H](C)c2cccc(Br)c2)cc(-c2ccc3occ(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3731046 |
OBDepict
OH
HN
CH
3
N
CH
3
N
O
H
3
C
|
IC50 |
= |
0.0 |
nM |
359.43 |
Cc1nc(NC(C)c2cccc(O)c2)cc(-c2ccc3occ(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3728583 |
OBDepict
H
3
C
N
N
NH
CH
3
O
H
3
C
O
N
N
H
3
C
|
IC50 |
= |
0.0 |
nM |
453.55 |
Cc1nc(NC(C)c2cccc(OCc3ccn(C)n3)c2)cc(-c2ccc3occ(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3731279 |
OBDepict
CH
3
N
H
3
C
O
HN
CH
3
N
CH
3
N
O
H
3
C
|
IC50 |
= |
0.0 |
nM |
444.58 |
Cc1nc(NC(C)c2cccc(OCCCN(C)C)c2)cc(-c2ccc3occ(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3729971 |
OBDepict
O
N
O
O
NH
H
3
C
H
N
CH
3
N
O
CH
3
|
IC50 |
= |
0.0 |
nM |
486.57 |
Cc1nc(N[C@@H](C)c2cccc(OCC(=O)N3CCOCC3)c2)cc(-c2ccc3occ(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3729048 |
OBDepict
OH
O
HN
CH
3
N
CH
3
N
O
H
3
C
|
IC50 |
= |
0.0 |
nM |
403.48 |
Cc1nc(NC(C)c2cccc(OCCO)c2)cc(-c2ccc3occ(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3731743 |
OBDepict
CH
3
N
N
N
H
H
3
C
H
O
CH
3
N
H
3
C
N
|
IC50 |
= |
0.0 |
nM |
423.52 |
Cc1nc(N[C@@H](C)c2cccc(-c3ccnn3C)c2)cc(-c2ccc3occ(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3730190 |
OBDepict
CH
3
N
N
HN
CH
3
O
CH
3
O
HN
|
IC50 |
= |
0.0 |
nM |
456.59 |
Cc1nc(NC(C)c2cccc(OCC3CCCNC3)c2)cc(-c2ccc3occ(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3728564 |
OBDepict
CH
3
N
N
N
H
H
CH
3
O
Cl
|
IC50 |
= |
0.0 |
nM |
365.86 |
Cc1nc(N[C@@H]2CCOc3ccccc32)cc(-c2ccc(Cl)c(C)c2)n1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3728795 |
OBDepict
OH
N
N
H
H
3
C
H
N
CH
3
N
S
N
|
IC50 |
= |
0.0 |
nM |
453.57 |
Cc1nc(N[C@@H](C)c2cccc(-c3cncc(CO)c3)c2)cc(-c2ccc3ncsc3c2)n1 |
Homo sapiens |
CHEMBL3734214 |
single protein format |
CHEMBL3728169 |
OBDepict
CH
3
N
N
NH
H
3
C
H
N
CH
3
N
O
H
3
C
|
IC50 |
= |
0.0 |
nM |
437.55 |
CCn1cc(-c2cccc([C@H](C)Nc3cc(-c4ccc5occ(C)c5c4)nc(C)n3)c2)cn1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3730686 |
OBDepict
CH
3
N
N
N
H
CH
3
O
CH
3
O
N
N
|
IC50 |
= |
0.0 |
nM |
453.55 |
Cc1nc(NC(C)c2cccc(OCCn3ccnc3)c2)cc(-c2ccc3occ(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3727541 |
OBDepict
HC
NH
Cl
N
N
N
H
CH
3
H
|
IC50 |
= |
0.0 |
nM |
402.93 |
C#CCNc1cc(-c2cc(N[C@@H]3CCCc4ccccc43)nc(C)n2)ccc1Cl |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3732820 |
OBDepict
H
3
C
N
O
CH
3
O
NH
CH
3
N
CH
3
N
O
H
3
C
|
IC50 |
= |
0.0 |
nM |
472.59 |
CCN(CC)C(=O)COc1cccc(C(C)Nc2cc(-c3ccc4occ(C)c4c3)nc(C)n2)c1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3733056 |
OBDepict
CH
3
N
N
N
H
H
O
O
H
3
C
|
IC50 |
= |
0.0 |
nM |
371.44 |
Cc1nc(N[C@@H]2CCOc3ccccc32)cc(-c2ccc3occ(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3729068 |
OBDepict
CH
3
N
N
N
H
H
Cl
CH
3
|
IC50 |
= |
0.0 |
nM |
363.89 |
Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc(C)c(Cl)c2)n1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3731440 |
OBDepict
OH
Cl
N
N
N
H
CH
3
H
|
IC50 |
= |
0.0 |
nM |
379.89 |
Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc(Cl)c(CO)c2)n1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3729017 |
OBDepict
CH
3
N
N
N
H
H
3
C
F
F
Cl
N
N
H
3
C
|
IC50 |
= |
0.0 |
nM |
439.9 |
Cc1nc(NC(C)c2cccc(-c3cnn(C)c3)c2)cc(-c2cc(F)c(Cl)c(F)c2)n1 |
Homo sapiens |
CHEMBL3734214 |
single protein format |
CHEMBL3729266 |
OBDepict
CH
3
N
O
H
3
C
O
NH
H
3
C
N
CH
3
N
N
O
CH
3
|
IC50 |
= |
0.0 |
nM |
489.62 |
CCN(CC)C(=O)COc1cccc(C(C)Nc2cc(-c3ccc4c(c3)N(C)CCO4)nc(C)n2)c1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3729968 |
OBDepict
F
HN
CH
3
N
CH
3
N
O
H
3
C
|
IC50 |
= |
0.0 |
nM |
361.42 |
Cc1nc(NC(C)c2cccc(F)c2)cc(-c2ccc3occ(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3730603 |
OBDepict
OH
O
HN
CH
3
N
CH
3
N
S
N
|
IC50 |
= |
0.0 |
nM |
420.54 |
Cc1nc(NC(C)c2cccc(OCCCO)c2)cc(-c2ccc3ncsc3c2)n1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3728912 |
OBDepict
CH
3
N
N
N
H
CH
3
S
N
O
N
CH
3
N
CH
3
|
IC50 |
= |
0.0 |
nM |
470.6 |
Cc1cc(COc2cccc(C(C)Nc3cc(-c4ccc5ncsc5c4)nc(C)n3)c2)n(C)n1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3727782 |
OBDepict
H
2
N
N
N
H
H
3
C
H
N
CH
3
N
S
CH
3
|
IC50 |
= |
0.0 |
nM |
451.6 |
Cc1nc(N[C@@H](C)c2cccc(-c3cncc(N)c3)c2)cc(-c2ccc3scc(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734214 |
single protein format |
CHEMBL3728550 |
OBDepict
CH
3
N
N
N
H
H
3
C
H
S
CH
3
N
N
H
3
C
|
IC50 |
= |
0.0 |
nM |
439.59 |
Cc1nc(N[C@@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccc3scc(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734214 |
single protein format |
CHEMBL3730721 |
OBDepict
H
2
N
N
N
H
H
3
C
H
N
CH
3
N
S
N
|
IC50 |
= |
0.0 |
nM |
438.56 |
Cc1nc(N[C@@H](C)c2cccc(-c3cncc(N)c3)c2)cc(-c2ccc3ncsc3c2)n1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3732385 |
OBDepict
CH
3
N
N
N
H
CH
3
H
S
CH
3
N
N
NH
2
|
IC50 |
= |
0.0 |
nM |
452.59 |
Cc1nc(N[C@@H](C)c2cccc(-c3cnc(N)nc3)c2)cc(-c2ccc3scc(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3727496 |
OBDepict
CH
3
N
N
N
H
H
3
C
H
N
O
CH
3
N
N
H
3
C
|
IC50 |
= |
0.0 |
nM |
424.51 |
Cc1nc(N[C@@H](C)c2cncc(-c3cnn(C)c3)c2)cc(-c2ccc3occ(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3730614 |
OBDepict
CH
3
N
N
HN
CH
3
H
O
CH
3
N
N
N
H
O
|
IC50 |
= |
0.0 |
nM |
520.64 |
Cc1nc(N[C@@H](C)c2cccc(-c3cnc(NCC4CCCO4)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3729124 |
OBDepict
CH
3
N
N
N
H
CH
3
S
N
N
Cl
|
IC50 |
= |
0.0 |
nM |
457.99 |
Cc1nc(NC(C)c2cccc(-c3cnccc3Cl)c2)cc(-c2ccc3ncsc3c2)n1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3728792 |
OBDepict
N
N
N
H
CH
3
N
CH
3
N
S
N
|
IC50 |
= |
0.0 |
nM |
448.56 |
Cc1nc(NC(C)c2cccc(-c3cncc(C#N)c3)c2)cc(-c2ccc3ncsc3c2)n1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3731258 |
OBDepict
CH
3
N
N
N
H
H
3
C
O
CH
3
CH
3
N
N
H
3
C
|
IC50 |
= |
0.0 |
nM |
437.55 |
Cc1nc(NC(C)c2ccc(C)c(-c3cnn(C)c3)c2)cc(-c2ccc3occ(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734214 |
single protein format |
CHEMBL3728831 |
OBDepict
CH
3
N
N
N
H
H
3
C
H
F
O
CH
3
N
N
H
3
C
|
IC50 |
= |
0.0 |
nM |
441.51 |
Cc1nc(N[C@@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2cc(F)c3occ(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734214 |
single protein format |
CHEMBL3728630 |
OBDepict
N
N
N
N
H
CH
3
N
CH
3
N
S
N
|
IC50 |
= |
0.0 |
nM |
449.54 |
Cc1nc(NC(C)c2cccc(-c3cnc(C#N)nc3)c2)cc(-c2ccc3ncsc3c2)n1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3729244 |
OBDepict
CH
3
N
N
N
H
CH
3
S
N
N
N
F
|
IC50 |
= |
0.0 |
nM |
442.52 |
Cc1nc(NC(C)c2cccc(-c3cnc(F)nc3)c2)cc(-c2ccc3ncsc3c2)n1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3733267 |
OBDepict
CH
3
O
N
N
H
CH
3
N
H
3
C
N
S
N
|
IC50 |
= |
0.0 |
nM |
453.57 |
COc1cncc(-c2cccc(C(C)Nc3cc(-c4ccc5ncsc5c4)nc(C)n3)c2)c1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3729349 |
OBDepict
CH
3
N
N
N
H
CH
3
H
N
CH
3
N
N
NH
2
|
IC50 |
= |
0.0 |
nM |
435.54 |
Cc1nc(N[C@@H](C)c2cccc(-c3cnc(N)nc3)c2)cc(-c2ccc3ccn(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734214 |
single protein format |
CHEMBL3729732 |
OBDepict
CH
3
N
N
N
H
H
3
C
H
N
O
CH
3
N
H
3
C
N
|
IC50 |
= |
0.0 |
nM |
424.51 |
Cc1nc(N[C@@H](C)c2cncc(-c3ccnn3C)c2)cc(-c2ccc3occ(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734214 |
single protein format |
CHEMBL3727388 |
OBDepict
CH
3
N
N
N
H
CH
3
O
H
3
C
CH
3
N
N
NH
2
|
IC50 |
= |
0.0 |
nM |
450.55 |
Cc1nc(NC(C)c2ccc(C)c(-c3cnc(N)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734214 |
single protein format |
CHEMBL3733196 |
OBDepict
CH
3
N
N
N
H
H
3
C
H
N
O
CH
3
N
N
H
|
IC50 |
= |
0.0 |
nM |
410.48 |
Cc1nc(N[C@@H](C)c2cncc(-c3cn[nH]c3)c2)cc(-c2ccc3occ(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734214 |
single protein format |
CHEMBL3731580 |
OBDepict
CH
3
N
N
N
H
H
3
C
F
Cl
N
N
H
3
C
|
IC50 |
= |
0.0 |
nM |
421.91 |
Cc1nc(NC(C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccc(Cl)c(F)c2)n1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3727921 |
OBDepict
CH
3
N
N
N
H
H
3
C
H
O
CH
3
N
N
N
H
3
C
|
IC50 |
= |
0.0 |
nM |
424.51 |
Cc1nc(N[C@@H](C)c2ccnc(-c3cnn(C)c3)c2)cc(-c2ccc3occ(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3727928 |
OBDepict
CH
3
N
N
N
H
H
3
C
O
N
N
H
3
C
|
IC50 |
= |
0.0 |
nM |
409.49 |
Cc1nc(NC(C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccc3occc3c2)n1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3728264 |
OBDepict
CH
3
N
N
N
H
H
N
|
IC50 |
= |
0.0 |
nM |
366.47 |
Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc3ncccc3c2)n1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3729219 |
OBDepict
HO
NH
N
N
H
CH
3
H
N
CH
3
N
O
H
3
C
|
IC50 |
= |
0.0 |
nM |
479.58 |
Cc1nc(N[C@@H](C)c2cccc(-c3ccc(NCCO)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3728933 |
OBDepict
H
3
C
N
N
NH
H
3
C
H
O
H
3
C
N
N
O
|
IC50 |
= |
0.0 |
nM |
505.62 |
Cc1nc(N[C@@H](C)c2cccc(-c3ccc(N4CCOCC4)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3731371 |
OBDepict
CH
3
NH
N
N
H
CH
3
H
N
H
3
C
N
O
H
3
C
|
IC50 |
= |
0.0 |
nM |
449.56 |
CNc1ccc(-c2cccc([C@H](C)Nc3cc(-c4ccc5occ(C)c5c4)nc(C)n3)c2)cn1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3731613 |
OBDepict
CH
3
N
N
N
H
CH
3
H
O
CH
3
N
Cl
|
IC50 |
= |
0.0 |
nM |
454.96 |
Cc1nc(N[C@@H](C)c2cccc(-c3ccc(Cl)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3732515 |
OBDepict
CH
3
N
N
N
H
CH
3
O
H
3
C
N
N
N
NH
2
|
IC50 |
= |
0.0 |
nM |
437.51 |
Cc1nc(NC(C)c2ccnc(-c3cnc(N)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3731486 |
OBDepict
CH
3
N
N
N
H
CH
3
H
S
N
N
F
|
IC50 |
= |
0.0 |
nM |
441.54 |
Cc1nc(N[C@@H](C)c2cccc(-c3ccnc(F)c3)c2)cc(-c2ccc3ncsc3c2)n1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3730900 |
OBDepict
CH
3
N
N
N
H
H
3
C
H
O
H
3
C
N
H
3
C
F
|
IC50 |
= |
0.0 |
nM |
452.53 |
Cc1nc(N[C@@H](C)c2cccc(-c3cnc(F)c(C)c3)c2)cc(-c2ccc3occ(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3729814 |
OBDepict
H
3
C
N
N
N
H
CH
3
H
O
H
3
C
N
CH
3
|
IC50 |
= |
0.0 |
nM |
434.54 |
Cc1cncc(-c2cccc([C@H](C)Nc3cc(-c4ccc5occ(C)c5c4)nc(C)n3)c2)c1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3728840 |
OBDepict
H
3
C
N
N
NH
H
3
C
H
O
H
3
C
N
N
NH
|
IC50 |
= |
0.0 |
nM |
504.64 |
Cc1nc(N[C@@H](C)c2cccc(-c3ccc(N4CCNCC4)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3731698 |
OBDepict
CH
3
N
N
N
H
H
3
C
H
F
N
N
H
3
C
|
IC50 |
= |
0.0 |
nM |
387.46 |
Cc1nc(N[C@@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2cccc(F)c2)n1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3731052 |
OBDepict
OH
O
HN
CH
3
N
CH
3
N
S
N
|
IC50 |
= |
0.0 |
nM |
406.51 |
Cc1nc(NC(C)c2cccc(OCCO)c2)cc(-c2ccc3ncsc3c2)n1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3733124 |
OBDepict
CH
3
N
N
N
H
H
3
C
S
N
O
F
N
H
3
C
N
|
IC50 |
= |
0.0 |
nM |
474.57 |
Cc1nc(NC(C)c2ccc(F)c(OCc3ccnn3C)c2)cc(-c2ccc3ncsc3c2)n1 |
Homo sapiens |
CHEMBL3734214 |
single protein format |
CHEMBL3732580 |
OBDepict
CH
3
N
N
N
H
CH
3
O
CH
3
Br
H
3
C
|
IC50 |
= |
0.0 |
nM |
436.35 |
Cc1nc(NC(C)c2ccc(C)c(Br)c2)cc(-c2ccc3occ(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734214 |
single protein format |
CHEMBL3729110 |
OBDepict
F
N
H
CH
3
N
N
H
2
N
Cl
CH
3
N
O
H
3
C
|
IC50 |
= |
0.0 |
nM |
487.97 |
Cc1nc(NC(C)c2cc(F)cc(-c3cnc(Cl)c(N)c3)c2)cc(-c2ccc3occ(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734214 |
single protein format |
CHEMBL3728565 |
OBDepict
CH
3
N
N
HN
CH
3
S
N
O
|
IC50 |
= |
0.0 |
nM |
452.58 |
Cc1nc(NC(C)c2cccc(OCc3ccccc3)c2)cc(-c2ccc3ncsc3c2)n1 |
Homo sapiens |
CHEMBL3734214 |
single protein format |
CHEMBL3729929 |
OBDepict
CH
3
N
N
N
H
CH
3
S
N
N
F
F
F
|
IC50 |
= |
0.0 |
nM |
491.54 |
Cc1nc(NC(C)c2cccc(-c3cncc(C(F)(F)F)c3)c2)cc(-c2ccc3ncsc3c2)n1 |
Homo sapiens |
CHEMBL3734214 |
single protein format |
CHEMBL3730065 |
OBDepict
H
3
C
N
N
N
N
HN
CH
3
H
N
CH
3
N
O
H
3
C
|
IC50 |
= |
0.0 |
nM |
519.65 |
Cc1nc(N[C@@H](C)c2cccc(-c3cnc(N4CCN(C)CC4)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734214 |
single protein format |
CHEMBL3731362 |
OBDepict
OH
HN
N
N
N
H
H
3
C
H
N
CH
3
N
O
CH
3
|
IC50 |
= |
0.0 |
nM |
494.6 |
Cc1nc(N[C@@H](C)c2cccc(-c3cnc(NCCCO)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734214 |
single protein format |
CHEMBL3727708 |
OBDepict
H
3
C
O
O
NH
N
N
N
H
CH
3
N
H
3
C
N
O
H
3
C
|
IC50 |
= |
0.0 |
nM |
508.58 |
COC(=O)CNc1ncc(-c2cccc(C(C)Nc3cc(-c4ccc5occ(C)c5c4)nc(C)n3)c2)cn1 |
Homo sapiens |
CHEMBL3734214 |
single protein format |
CHEMBL3731665 |
OBDepict
H
3
C
N
N
N
HN
CH
3
H
N
CH
3
N
O
H
3
C
|
IC50 |
= |
0.0 |
nM |
518.67 |
Cc1nc(N[C@@H](C)c2cccc(-c3ccc(N4CCN(C)CC4)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734214 |
single protein format |
CHEMBL3729536 |
OBDepict
OH
O
NH
N
N
N
H
CH
3
H
N
CH
3
N
O
H
3
C
|
IC50 |
= |
0.0 |
nM |
494.56 |
Cc1nc(N[C@@H](C)c2cccc(-c3cnc(NCC(=O)O)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734214 |
single protein format |
CHEMBL3730333 |
OBDepict
OH
N
N
H
H
3
C
H
N
CH
3
N
O
CH
3
|
IC50 |
= |
0.0 |
nM |
450.54 |
Cc1nc(N[C@@H](C)c2cccc(-c3cncc(CO)c3)c2)cc(-c2ccc3occ(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734214 |
single protein format |
CHEMBL3728922 |
OBDepict
OH
O
NH
N
N
N
H
CH
3
H
N
CH
3
N
O
H
3
C
|
IC50 |
= |
0.0 |
nM |
508.58 |
Cc1nc(N[C@@H](C)c2cccc(-c3cnc(NCC(=O)CO)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734214 |
single protein format |
CHEMBL3731372 |
OBDepict
CH
3
N
N
N
H
CH
3
S
N
O
N
|
IC50 |
= |
0.0 |
nM |
455.59 |
Cc1nc(NC(C)c2cccc(OCCn3cccc3)c2)cc(-c2ccc3ncsc3c2)n1 |
Homo sapiens |
CHEMBL3734214 |
single protein format |
CHEMBL3731989 |
OBDepict
CH
3
N
N
N
H
CH
3
H
S
N
|
IC50 |
= |
0.0 |
nM |
422.56 |
Cc1nc(N[C@@H](C)c2cccc(-c3ccccc3)c2)cc(-c2ccc3ncsc3c2)n1 |
Homo sapiens |
CHEMBL3734214 |
single protein format |
CHEMBL3729147 |
OBDepict
CH
3
N
N
N
H
H
3
C
H
S
N
N
H
3
C
|
IC50 |
= |
0.0 |
nM |
425.56 |
Cc1nc(N[C@@H](C)c2cccc(-c3cccn3C)c2)cc(-c2ccc3ncsc3c2)n1 |
Homo sapiens |
CHEMBL3734214 |
single protein format |
CHEMBL3731006 |
OBDepict
CH
3
O
N
H
H
3
C
H
N
CH
3
N
O
H
3
C
|
IC50 |
= |
0.0 |
nM |
373.46 |
COc1cccc([C@@H](C)Nc2cc(-c3ccc4occ(C)c4c3)nc(C)n2)c1 |
Homo sapiens |
CHEMBL3734214 |
single protein format |
CHEMBL3727636 |
OBDepict
CH
3
N
N
N
H
H
3
C
H
O
CH
3
N
H
N
|
IC50 |
= |
0.0 |
nM |
409.49 |
Cc1nc(N[C@@H](C)c2cccc(-c3ccn[nH]3)c2)cc(-c2ccc3occ(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734214 |
single protein format |
CHEMBL3731234 |
OBDepict
F
N
N
N
H
H
3
C
H
N
CH
3
N
O
CH
3
|
IC50 |
= |
0.0 |
nM |
439.49 |
Cc1nc(N[C@@H](C)c2cncc(-c3cncc(F)c3)c2)cc(-c2ccc3occ(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734214 |
single protein format |
CHEMBL3730347 |
OBDepict
H
3
C
O
N
N
N
H
CH
3
CH
3
N
N
H
3
C
|
IC50 |
= |
0.0 |
nM |
437.55 |
CCc1coc2ccc(-c3cc(NC(C)c4cccc(-c5cnn(C)c5)c4)nc(C)n3)cc12 |
Homo sapiens |
CHEMBL3734214 |
single protein format |
CHEMBL3730964 |
OBDepict
CH
3
N
N
N
H
CH
3
H
N
O
CH
3
N
F
|
IC50 |
= |
0.0 |
nM |
439.49 |
Cc1nc(N[C@@H](C)c2cncc(-c3ccc(F)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734214 |
single protein format |
CHEMBL3728590 |
OBDepict
CH
3
N
N
N
NH
H
3
C
H
N
CH
3
N
O
H
3
C
|
IC50 |
= |
0.0 |
nM |
438.54 |
CCn1cc(-c2cncc([C@H](C)Nc3cc(-c4ccc5occ(C)c5c4)nc(C)n3)c2)cn1 |
Homo sapiens |
CHEMBL3734214 |
single protein format |
CHEMBL3732145 |
OBDepict
OH
O
HN
CH
3
N
CH
3
N
S
N
|
IC50 |
= |
0.0 |
nM |
434.57 |
Cc1nc(NC(C)c2cccc(OCCCCO)c2)cc(-c2ccc3ncsc3c2)n1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3729625 |
OBDepict
CH
3
O
N
N
N
H
CH
3
H
3
C
OH
|
IC50 |
= |
0.0 |
nM |
373.46 |
CCc1coc2ccc(-c3cc(NC(C)c4cccc(O)c4)nc(C)n3)cc12 |
Homo sapiens |
CHEMBL3734214 |
single protein format |
CHEMBL3727580 |
OBDepict
CH
3
O
N
N
N
H
CH
3
H
3
C
H
O
CH
3
|
IC50 |
= |
0.0 |
nM |
387.48 |
CCc1coc2ccc(-c3cc(N[C@@H](C)c4cccc(OC)c4)nc(C)n3)cc12 |
Homo sapiens |
CHEMBL3734214 |
single protein format |
CHEMBL3732772 |
OBDepict
CH
3
O
N
N
NH
H
3
C
CH
3
O
N
H
3
C
N
H
3
C
|
IC50 |
= |
0.0 |
nM |
481.6 |
CCc1coc2ccc(-c3cc(NC(C)c4cccc(OCc5cc(C)nn5C)c4)nc(C)n3)cc12 |
Homo sapiens |
CHEMBL3734214 |
single protein format |
CHEMBL3728911 |
OBDepict
CH
3
N
N
N
H
H
3
C
H
N
O
H
3
C
N
H
2
N
Cl
|
IC50 |
= |
0.0 |
nM |
470.96 |
Cc1nc(N[C@@H](C)c2cncc(-c3cnc(Cl)c(N)c3)c2)cc(-c2ccc3occ(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734214 |
single protein format |
CHEMBL3732942 |
OBDepict
CH
3
N
N
N
H
CH
3
H
N
O
CH
3
N
N
NH
2
|
IC50 |
= |
0.0 |
nM |
437.51 |
Cc1nc(N[C@@H](C)c2cncc(-c3cnc(N)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734214 |
single protein format |
CHEMBL3732540 |
OBDepict
CH
3
N
N
N
H
CH
3
O
H
3
C
F
Br
|
IC50 |
= |
0.0 |
nM |
440.32 |
Cc1nc(NC(C)c2cc(F)cc(Br)c2)cc(-c2ccc3occ(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734214 |
single protein format |
CHEMBL3728971 |
OBDepict
F
N
H
CH
3
N
N
N
H
2
N
CH
3
N
O
H
3
C
|
IC50 |
= |
0.0 |
nM |
454.51 |
Cc1nc(NC(C)c2cc(F)cc(-c3cnc(N)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734214 |
single protein format |
CHEMBL3729759 |
OBDepict
CH
3
N
N
N
H
H
3
C
S
N
N
N
O
H
3
C
|
IC50 |
= |
0.0 |
nM |
428.52 |
Cc1nc(NC(C)c2cccc(-c3noc(C)n3)c2)cc(-c2ccc3ncsc3c2)n1 |
Homo sapiens |
CHEMBL3734214 |
single protein format |
CHEMBL3729910 |
OBDepict
CH
3
N
N
N
H
H
3
C
O
CH
3
F
N
N
H
3
C
|
IC50 |
= |
0.0 |
nM |
441.51 |
Cc1nc(NC(C)c2cc(F)cc(-c3cnn(C)c3)c2)cc(-c2ccc3occ(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734214 |
single protein format |
CHEMBL3731392 |
OBDepict
HO
N
N
N
N
HN
CH
3
H
N
CH
3
N
O
H
3
C
|
IC50 |
= |
0.0 |
nM |
521.63 |
Cc1nc(N[C@@H](C)c2cncc(-c3cnc(N4CCC(O)CC4)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734214 |
single protein format |
CHEMBL3728614 |
OBDepict
H
2
N
N
N
H
H
3
C
H
N
CH
3
N
F
O
CH
3
|
IC50 |
= |
0.0 |
nM |
453.52 |
Cc1nc(N[C@@H](C)c2cccc(-c3cncc(N)c3)c2)cc(-c2cc(F)c3occ(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734214 |
single protein format |
CHEMBL3729009 |
OBDepict
H
3
C
N
N
N
H
CH
3
H
O
H
3
C
N
CH
3
|
IC50 |
= |
0.0 |
nM |
434.54 |
Cc1ccc(-c2cccc([C@H](C)Nc3cc(-c4ccc5occ(C)c5c4)nc(C)n3)c2)cn1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3732692 |
OBDepict
CH
3
N
N
N
H
H
3
C
N
O
CH
3
N
N
H
3
C
|
IC50 |
= |
0.0 |
nM |
424.51 |
Cc1nc(NC(C)c2cncc(-c3cnn(C)c3)c2)cc(-c2ccc3occ(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3732333 |
OBDepict
H
3
C
N
N
NH
H
3
C
S
N
N
N
NH
|
IC50 |
= |
0.0 |
nM |
507.67 |
Cc1nc(NC(C)c2cccc(-c3ccc(N4CCNCC4)nc3)c2)cc(-c2ccc3ncsc3c2)n1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3733018 |
OBDepict
CH
3
N
N
N
H
H
3
C
H
O
H
3
C
N
N
H
3
C
CH
3
|
IC50 |
= |
0.0 |
nM |
463.59 |
Cc1nc(N[C@@H](C)c2cccc(-c3ccc(N(C)C)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3731121 |
OBDepict
CH
3
N
N
N
H
CH
3
H
S
CH
3
N
F
|
IC50 |
= |
0.0 |
nM |
454.57 |
Cc1nc(N[C@@H](C)c2cccc(-c3ccc(F)nc3)c2)cc(-c2ccc3scc(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3728426 |
OBDepict
Br
HN
H
3
C
H
N
CH
3
N
S
H
3
C
|
IC50 |
= |
0.0 |
nM |
438.39 |
Cc1nc(N[C@@H](C)c2cccc(Br)c2)cc(-c2ccc3scc(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3732935 |
OBDepict
CH
3
N
CH
3
N
N
N
N
HN
CH
3
H
N
CH
3
N
O
H
3
C
|
IC50 |
= |
0.0 |
nM |
576.75 |
Cc1nc(N[C@@H](C)c2cccc(-c3cnc(N4CCN(CCN(C)C)CC4)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734214 |
single protein format |
CHEMBL3727628 |
OBDepict
CH
3
N
N
N
H
H
3
C
H
O
CH
3
N
N
N
N
|
IC50 |
= |
0.0 |
nM |
411.47 |
Cc1nc(N[C@@H](C)c2cccc(-n3cnnn3)c2)cc(-c2ccc3occ(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3730429 |
OBDepict
CH
3
N
H
3
C
NH
N
N
N
H
CH
3
N
CH
3
N
S
N
|
IC50 |
= |
0.0 |
nM |
510.67 |
Cc1nc(NC(C)c2cccc(-c3cnc(NCCN(C)C)nc3)c2)cc(-c2ccc3ncsc3c2)n1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3730573 |
OBDepict
CH
3
N
N
N
H
H
3
C
S
N
N
H
3
C
|
IC50 |
= |
0.0 |
nM |
425.56 |
Cc1nc(NC(C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccc3sccc3c2)n1 |
Homo sapiens |
CHEMBL3734213 |
single protein format |
CHEMBL3727966 |
OBDepict
F
N
N
H
H
3
C
H
N
CH
3
N
F
O
CH
3
|
IC50 |
= |
0.0 |
nM |
456.5 |
Cc1nc(N[C@@H](C)c2cccc(-c3cncc(F)c3)c2)cc(-c2cc(F)c3occ(C)c3c2)n1 |
Homo sapiens |
CHEMBL3734214 |
single protein format |