molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4868141 |
|
IC50 |
= |
-30700.0 |
nM |
532.67 |
Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2OC2CCCCC2)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804377 |
cell-based format |
CHEMBL3544964 |
OBDepict
OH
N
H
O
F
Cl
N
N
NH
N
CH
3
N
|
IC50 |
= |
1.2 |
nM |
440.87 |
Cn1nccc1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1 |
Homo sapiens |
CHEMBL3620376 |
single protein format |
CHEMBL4434915 |
OBDepict
OH
N
O
Cl
N
N
HN
O
|
IC50 |
= |
1.5 |
nM |
464.95 |
O=C1c2cc(-c3ccnc(NC4CCOCC4)n3)ccc2CN1C(CO)c1cccc(Cl)c1 |
Homo sapiens |
CHEMBL4423399 |
single protein format |
CHEMBL3409588 |
OBDepict
OH
N
H
O
F
Cl
N
N
HN
O
|
IC50 |
= |
2.7 |
nM |
444.89 |
O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@H](CO)c1ccc(Cl)c(F)c1 |
Homo sapiens |
CHEMBL4425911 |
single protein format |
CHEMBL4588783 |
OBDepict
Cl
N
O
N
N
HN
O
|
IC50 |
= |
3.3 |
nM |
434.93 |
O=C1c2cc(-c3ccnc(NC4CCOCC4)n3)ccc2CN1Cc1cccc(Cl)c1 |
Homo sapiens |
CHEMBL4423399 |
single protein format |
CHEMBL4567212 |
OBDepict
HO
N
O
Cl
N
N
N
H
N
CH
3
N
|
IC50 |
= |
3.6 |
nM |
460.93 |
Cn1nccc1Nc1nccc(-c2ccc3c(c2)C(=O)N(C(CO)c2cccc(Cl)c2)C3)n1 |
Homo sapiens |
CHEMBL4423399 |
single protein format |
CHEMBL4565958 |
OBDepict
OH
N
H
O
F
Cl
N
N
NH
N
CH
3
N
H
|
IC50 |
= |
3.8 |
nM |
440.87 |
Cc1n[nH]cc1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1 |
Homo sapiens |
CHEMBL4425911 |
single protein format |
CHEMBL4571067 |
OBDepict
HO
N
H
O
F
Cl
N
N
HN
N
CH
3
|
IC50 |
= |
3.9 |
nM |
451.89 |
Cc1cc(Nc2nccc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)ccn1 |
Homo sapiens |
CHEMBL4425911 |
single protein format |
CHEMBL3590107 |
OBDepict
O
N
N
N
H
NH
O
N
N
N
N
H
N
|
IC50 |
= |
4.0 |
nM |
587.69 |
O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)[C@@H]1CCN(CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1 |
Homo sapiens |
CHEMBL3620378 |
single protein format |
CHEMBL4532652 |
OBDepict
HO
N
O
Cl
N
N
N
H
N
N
CH
3
|
IC50 |
= |
4.1 |
nM |
460.93 |
Cn1cc(Nc2nccc(-c3ccc4c(c3)C(=O)N(C(CO)c3cccc(Cl)c3)C4)n2)cn1 |
Homo sapiens |
CHEMBL4423399 |
single protein format |
CHEMBL4436718 |
OBDepict
OH
N
H
O
F
Cl
N
N
NH
N
N
H
3
C
|
IC50 |
= |
5.0 |
nM |
454.89 |
CCn1cc(Nc2nccc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)cn1 |
Homo sapiens |
CHEMBL4425911 |
single protein format |
CHEMBL4435650 |
OBDepict
OH
N
H
O
F
Cl
N
N
NH
N
N
H
3
C
|
IC50 |
= |
7.9 |
nM |
440.87 |
Cn1cc(Nc2nccc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)cn1 |
Homo sapiens |
CHEMBL4425911 |
single protein format |
CHEMBL4114404 |
OBDepict
OH
N
H
O
F
Cl
N
N
NH
N
CH
3
N
H
3
C
|
IC50 |
= |
13.0 |
nM |
454.89 |
Cc1nn(C)cc1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1 |
Homo sapiens |
CHEMBL4425911 |
single protein format |
CHEMBL3797917 |
OBDepict
CH
3
N
N
N
H
N
H
O
Cl
Cl
N
Cl
|
IC50 |
= |
16.7 |
nM |
446.73 |
Cc1cc(-c2n[nH]c3ccc(C(=O)NCc4c(Cl)cnc(Cl)c4Cl)cc23)ccn1 |
Homo sapiens |
CHEMBL3802287 |
assay format |
CHEMBL3675721 |
OBDepict
HO
N
H
O
F
Cl
N
N
HN
N
CH
3
N
CH
3
|
IC50 |
= |
18.0 |
nM |
468.92 |
CCn1cc(Nc2nccc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)c(C)n1 |
Homo sapiens |
CHEMBL4425911 |
single protein format |
CHEMBL1336 |
OBDepict
CH
3
NH
O
N
O
N
H
NH
O
Cl
F
F
F
|
IC50 |
= |
18.1 |
nM |
464.83 |
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 |
Homo sapiens |
CHEMBL3580222 |
single protein format |
CHEMBL4474917 |
OBDepict
HO
N
H
O
F
Cl
N
N
HN
N
N
CH
3
H
3
C
|
IC50 |
= |
19.0 |
nM |
468.92 |
CC(C)n1cc(Nc2nccc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)cn1 |
Homo sapiens |
CHEMBL4425911 |
single protein format |
CHEMBL3798624 |
OBDepict
H
3
C
N
N
N
H
N
H
O
CH
3
H
Cl
Cl
|
IC50 |
= |
19.4 |
nM |
425.32 |
Cc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H](C)c4c(Cl)cccc4Cl)cc23)ccn1 |
Homo sapiens |
CHEMBL3802287 |
assay format |
CHEMBL3577565 |
OBDepict
CH
3
O
N
O
N
O
N
H
O
H
3
C
|
IC50 |
= |
20.0 |
nM |
517.59 |
COc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(C)c4)cc3)N=C2c2ccccc2)c1 |
Homo sapiens |
CHEMBL3580222 |
single protein format |
CHEMBL3675719 |
OBDepict
OH
N
H
O
F
Cl
N
N
NH
N
H
3
C
N
H
3
C
|
IC50 |
= |
20.0 |
nM |
454.89 |
Cc1cc(Nc2nccc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)n(C)n1 |
Homo sapiens |
CHEMBL4425911 |
single protein format |
CHEMBL4476178 |
OBDepict
Cl
N
O
N
N
N
H
N
N
CH
3
|
IC50 |
= |
21.0 |
nM |
430.9 |
Cn1cc(Nc2nccc(-c3ccc4c(c3)C(=O)N(Cc3cccc(Cl)c3)C4)n2)cn1 |
Homo sapiens |
CHEMBL4423399 |
single protein format |
CHEMBL3577641 |
OBDepict
H
3
C
O
N
O
N
O
N
H
O
O
H
3
C
|
IC50 |
= |
21.0 |
nM |
533.58 |
COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(OC)c4)cc3)N=C2c2ccccc2)cc1 |
Homo sapiens |
CHEMBL3580222 |
single protein format |
CHEMBL3799117 |
OBDepict
H
3
C
N
N
N
H
N
H
O
CH
3
Cl
Cl
N
Cl
|
IC50 |
= |
22.2 |
nM |
460.75 |
Cc1cc(-c2n[nH]c3ccc(C(=O)NC(C)c4c(Cl)cnc(Cl)c4Cl)cc23)ccn1 |
Homo sapiens |
CHEMBL3802287 |
assay format |
CHEMBL3577636 |
OBDepict
H
3
C
O
N
O
N
O
N
H
O
|
IC50 |
= |
23.0 |
nM |
503.56 |
COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4)cc3)N=C2c2ccccc2)cc1 |
Homo sapiens |
CHEMBL3580222 |
single protein format |
CHEMBL3577642 |
OBDepict
CH
3
O
N
H
O
O
N
O
N
O
CH
3
|
IC50 |
= |
23.0 |
nM |
533.58 |
COc1ccc(NC(=O)COc2ccc(/C=C3N=C(c4ccccc4)N(c4ccc(OC)cc4)C3=O)cc2)cc1 |
Homo sapiens |
CHEMBL3580222 |
single protein format |
CHEMBL3577639 |
OBDepict
H
3
C
O
N
O
N
O
N
H
O
H
3
C
|
IC50 |
= |
23.0 |
nM |
517.59 |
COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)cc4)cc3)N=C2c2ccccc2)cc1 |
Homo sapiens |
CHEMBL3580222 |
single protein format |
CHEMBL3577643 |
OBDepict
H
3
C
O
N
O
N
O
N
H
O
Cl
|
IC50 |
= |
24.0 |
nM |
538.0 |
COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4Cl)cc3)N=C2c2ccccc2)cc1 |
Homo sapiens |
CHEMBL3580222 |
single protein format |
CHEMBL3577566 |
OBDepict
CH
3
O
N
O
N
O
N
H
O
H
3
C
|
IC50 |
= |
25.0 |
nM |
517.59 |
COc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)cc4)cc3)N=C2c2ccccc2)c1 |
Homo sapiens |
CHEMBL3580222 |
single protein format |
CHEMBL4452981 |
OBDepict
OH
N
H
O
F
Cl
N
N
NH
N
N
H
3
C
|
IC50 |
= |
26.0 |
nM |
454.89 |
CCn1nccc1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1 |
Homo sapiens |
CHEMBL4425911 |
single protein format |
CHEMBL3797756 |
OBDepict
HO
N
H
H
O
Cl
N
N
H
N
|
IC50 |
= |
26.3 |
nM |
392.85 |
O=C(N[C@H](CO)c1cccc(Cl)c1)c1ccc2[nH]nc(-c3ccncc3)c2c1 |
Homo sapiens |
CHEMBL3802287 |
assay format |
CHEMBL3799614 |
OBDepict
Cl
N
N
H
O
N
N
H
N
|
IC50 |
= |
26.4 |
nM |
363.81 |
O=C(NCc1ccnc(Cl)c1)c1ccc2[nH]nc(-c3ccncc3)c2c1 |
Homo sapiens |
CHEMBL3802287 |
assay format |
CHEMBL4459138 |
OBDepict
CH
3
N
N
NH
H
3
C
N
N
N
O
H
OH
F
Cl
|
IC50 |
= |
27.0 |
nM |
468.92 |
CCc1cc(Nc2nccc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)n(C)n1 |
Homo sapiens |
CHEMBL4425911 |
single protein format |
CHEMBL3799113 |
OBDepict
O
HN
N
N
Cl
H
F
Cl
N
|
IC50 |
= |
29.2 |
nM |
415.26 |
O=C(NCc1ccc(Cl)c(F)c1Cl)c1ccc2[nH]nc(-c3ccncc3)c2c1 |
Homo sapiens |
CHEMBL3802287 |
assay format |
CHEMBL3798257 |
OBDepict
CH
3
N
N
N
H
N
H
O
CH
3
Cl
Cl
N
|
IC50 |
= |
29.3 |
nM |
426.31 |
Cc1cc(-c2n[nH]c3ccc(C(=O)NC(C)c4c(Cl)cncc4Cl)cc23)ccn1 |
Homo sapiens |
CHEMBL3802287 |
assay format |
CHEMBL3577637 |
OBDepict
H
3
C
O
N
O
N
O
N
H
O
CH
3
|
IC50 |
= |
32.0 |
nM |
517.59 |
COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4C)cc3)N=C2c2ccccc2)cc1 |
Homo sapiens |
CHEMBL3580222 |
single protein format |
CHEMBL3798692 |
OBDepict
Cl
N
H
CH
3
O
N
N
H
F
F
HO
|
IC50 |
= |
32.3 |
nM |
427.84 |
CC(NC(=O)c1ccc2[nH]nc(-c3cc(F)c(O)c(F)c3)c2c1)c1cccc(Cl)c1 |
Homo sapiens |
CHEMBL3802287 |
assay format |
CHEMBL3577644 |
OBDepict
H
3
C
O
N
O
N
O
N
H
O
Cl
|
IC50 |
= |
35.0 |
nM |
538.0 |
COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(Cl)c4)cc3)N=C2c2ccccc2)cc1 |
Homo sapiens |
CHEMBL3580222 |
single protein format |
CHEMBL3797587 |
OBDepict
O
NH
H
3
C
N
N
Cl
H
N
|
IC50 |
= |
35.9 |
nM |
376.85 |
CC(NC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1)c1ccccc1Cl |
Homo sapiens |
CHEMBL3802287 |
assay format |
CHEMBL3798163 |
OBDepict
O
HN
N
N
H
N
|
IC50 |
= |
38.7 |
nM |
342.4 |
O=C(NCCc1ccccc1)c1ccc2[nH]nc(-c3ccncc3)c2c1 |
Homo sapiens |
CHEMBL3802287 |
assay format |
CHEMBL3798926 |
OBDepict
O
HN
N
N
H
N
|
IC50 |
= |
42.9 |
nM |
356.43 |
O=C(NCCCc1ccccc1)c1ccc2[nH]nc(-c3ccncc3)c2c1 |
Homo sapiens |
CHEMBL3802287 |
assay format |
CHEMBL4460988 |
OBDepict
OH
N
H
O
F
Cl
N
N
NH
N
N
H
3
C
H
3
C
|
IC50 |
= |
43.0 |
nM |
468.92 |
CCc1nn(C)cc1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1 |
Homo sapiens |
CHEMBL4425911 |
single protein format |
CHEMBL3577640 |
OBDepict
H
3
C
O
N
O
N
O
N
H
O
O
H
3
C
|
IC50 |
= |
43.0 |
nM |
533.58 |
COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4OC)cc3)N=C2c2ccccc2)cc1 |
Homo sapiens |
CHEMBL3580222 |
single protein format |
CHEMBL3577564 |
OBDepict
CH
3
O
N
O
N
O
N
H
O
CH
3
|
IC50 |
= |
43.0 |
nM |
517.59 |
COc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4C)cc3)N=C2c2ccccc2)c1 |
Homo sapiens |
CHEMBL3580222 |
single protein format |
CHEMBL3577567 |
OBDepict
CH
3
O
N
O
N
O
N
H
O
O
H
3
C
|
IC50 |
= |
46.0 |
nM |
533.58 |
COc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4OC)cc3)N=C2c2ccccc2)c1 |
Homo sapiens |
CHEMBL3580222 |
single protein format |
CHEMBL3800263 |
OBDepict
O
HN
N
N
Cl
H
N
|
IC50 |
= |
46.3 |
nM |
362.82 |
O=C(NCc1ccccc1Cl)c1ccc2[nH]nc(-c3ccncc3)c2c1 |
Homo sapiens |
CHEMBL3802287 |
assay format |
CHEMBL3577645 |
OBDepict
H
3
C
O
N
O
N
O
N
H
O
Cl
|
IC50 |
= |
47.0 |
nM |
538.0 |
COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Cl)cc4)cc3)N=C2c2ccccc2)cc1 |
Homo sapiens |
CHEMBL3580222 |
single protein format |
CHEMBL3798015 |
OBDepict
HO
NH
O
Cl
N
N
H
N
H
3
C
|
IC50 |
= |
53.4 |
nM |
406.87 |
Cc1cc(-c2n[nH]c3ccc(C(=O)NC(CO)c4cccc(Cl)c4)cc23)ccn1 |
Homo sapiens |
CHEMBL3802287 |
assay format |
CHEMBL3797242 |
OBDepict
O
HN
N
N
Cl
Cl
H
N
N
|
IC50 |
= |
55.5 |
nM |
398.25 |
O=C(NCc1c(Cl)cncc1Cl)c1ccc2[nH]nc(-c3ccncc3)c2c1 |
Homo sapiens |
CHEMBL3802287 |
assay format |
CHEMBL3577631 |
OBDepict
CH
3
O
N
H
O
O
N
O
N
O
CH
3
|
IC50 |
= |
57.0 |
nM |
533.58 |
COc1cccc(NC(=O)COc2ccc(/C=C3N=C(c4ccccc4)N(c4cccc(OC)c4)C3=O)cc2)c1 |
Homo sapiens |
CHEMBL3580222 |
single protein format |
CHEMBL4592894 |
OBDepict
OH
N
H
O
F
Cl
N
N
NH
N
CH
3
N
H
3
C
|
IC50 |
= |
62.0 |
nM |
454.89 |
Cc1c(Nc2nccc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)cnn1C |
Homo sapiens |
CHEMBL4425911 |
single protein format |
CHEMBL3577563 |
OBDepict
CH
3
O
N
O
N
O
N
H
O
|
IC50 |
= |
65.0 |
nM |
503.56 |
COc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4)cc3)N=C2c2ccccc2)c1 |
Homo sapiens |
CHEMBL3580222 |
single protein format |
CHEMBL3797827 |
OBDepict
HO
NH
O
Cl
N
N
H
N
H
2
N
|
IC50 |
= |
66.9 |
nM |
407.86 |
Nc1cc(-c2n[nH]c3ccc(C(=O)NC(CO)c4cccc(Cl)c4)cc23)ccn1 |
Homo sapiens |
CHEMBL3802287 |
assay format |
CHEMBL3800134 |
OBDepict
HO
N
H
O
Cl
N
N
H
N
|
IC50 |
= |
72.4 |
nM |
392.85 |
O=C(NC(CO)c1cccc(Cl)c1)c1ccc2[nH]nc(-c3ccncc3)c2c1 |
Homo sapiens |
CHEMBL3802287 |
assay format |
CHEMBL4434981 |
OBDepict
OH
N
H
O
F
Cl
N
N
NH
N
CH
3
N
F
F
F
|
IC50 |
= |
74.0 |
nM |
508.86 |
Cn1nc(C(F)(F)F)cc1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1 |
Homo sapiens |
CHEMBL4425911 |
single protein format |
CHEMBL3799716 |
OBDepict
Cl
N
H
O
N
N
H
N
|
IC50 |
= |
74.2 |
nM |
362.82 |
O=C(NCc1cccc(Cl)c1)c1ccc2[nH]nc(-c3ccncc3)c2c1 |
Homo sapiens |
CHEMBL3802287 |
assay format |
CHEMBL3577632 |
OBDepict
CH
3
O
N
H
O
O
N
O
N
O
CH
3
|
IC50 |
= |
76.0 |
nM |
533.58 |
COc1ccc(NC(=O)COc2ccc(/C=C3N=C(c4ccccc4)N(c4cccc(OC)c4)C3=O)cc2)cc1 |
Homo sapiens |
CHEMBL3580222 |
single protein format |
CHEMBL3800189 |
OBDepict
H
3
C
N
H
O
Cl
N
N
H
N
|
IC50 |
= |
78.7 |
nM |
390.87 |
CCC(NC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1)c1cccc(Cl)c1 |
Homo sapiens |
CHEMBL3802287 |
assay format |
CHEMBL4450215 |
OBDepict
OH
N
H
O
F
Cl
N
N
NH
N
N
H
3
C
|
IC50 |
= |
85.0 |
nM |
440.87 |
Cn1ccc(Nc2nccc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)n1 |
Homo sapiens |
CHEMBL4425911 |
single protein format |
CHEMBL3577633 |
OBDepict
CH
3
O
N
O
N
O
N
H
O
Cl
|
IC50 |
= |
87.0 |
nM |
538.0 |
COc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4Cl)cc3)N=C2c2ccccc2)c1 |
Homo sapiens |
CHEMBL3580222 |
single protein format |
CHEMBL3577638 |
OBDepict
H
3
C
O
N
O
N
O
N
H
O
H
3
C
|
IC50 |
= |
89.0 |
nM |
517.59 |
COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(C)c4)cc3)N=C2c2ccccc2)cc1 |
Homo sapiens |
CHEMBL3580222 |
single protein format |
CHEMBL3577634 |
OBDepict
CH
3
O
N
O
N
O
N
H
O
Cl
|
IC50 |
= |
89.0 |
nM |
538.0 |
COc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(Cl)c4)cc3)N=C2c2ccccc2)c1 |
Homo sapiens |
CHEMBL3580222 |
single protein format |
CHEMBL3577635 |
OBDepict
CH
3
O
N
O
N
O
N
H
O
Cl
|
IC50 |
= |
95.0 |
nM |
538.0 |
COc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Cl)cc4)cc3)N=C2c2ccccc2)c1 |
Homo sapiens |
CHEMBL3580222 |
single protein format |
CHEMBL3798109 |
OBDepict
O
NH
N
N
H
N
|
IC50 |
= |
106.0 |
nM |
328.38 |
O=C(NCc1ccccc1)c1ccc2[nH]nc(-c3ccncc3)c2c1 |
Homo sapiens |
CHEMBL3802287 |
assay format |
CHEMBL3799983 |
OBDepict
HO
N
H
O
Cl
N
N
H
F
OH
|
IC50 |
= |
111.0 |
nM |
425.85 |
O=C(NC(CO)c1cccc(Cl)c1)c1ccc2[nH]nc(-c3ccc(O)c(F)c3)c2c1 |
Homo sapiens |
CHEMBL3802287 |
assay format |
CHEMBL3797548 |
OBDepict
CH
3
O
N
H
O
N
N
H
N
|
IC50 |
= |
128.0 |
nM |
372.43 |
CC(CNC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1)Oc1ccccc1 |
Homo sapiens |
CHEMBL3802287 |
assay format |
CHEMBL4461076 |
OBDepict
OH
N
H
O
F
Cl
N
N
NH
N
N
H
3
C
H
3
C
|
IC50 |
= |
150.0 |
nM |
468.92 |
CCn1nc(C)cc1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1 |
Homo sapiens |
CHEMBL4425911 |
single protein format |
CHEMBL3798631 |
OBDepict
Cl
N
H
CH
3
O
N
N
H
N
|
IC50 |
= |
154.0 |
nM |
376.85 |
CC(NC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1)c1cccc(Cl)c1 |
Homo sapiens |
CHEMBL3802287 |
assay format |
CHEMBL4089159 |
OBDepict
CH
3
O
O
O
NH
O
Cl
N
H
N
|
IC50 |
= |
278.0 |
nM |
395.8 |
COC(=O)C1=C(Nc2ccccc2Cl)O/C(=Cc2c[nH]c3ncccc23)C1=O |
Homo sapiens |
CHEMBL4011955 |
single protein format |
CHEMBL195641 |
OBDepict
N
N
H
NH
N
H
N
N
N
N
H
F
F
F
N
N
H
|
IC50 |
= |
300.0 |
nM |
450.39 |
N#CNc1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc4[nH]cnc4c3)n2)cc1NC#N |
Homo sapiens |
CHEMBL826978 |
single protein format |
CHEMBL259551 |
OBDepict
H
2
N
N
N
H
N
N
N
N
|
Ki |
= |
310.0 |
nM |
327.35 |
Nc1n[nH]c2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12 |
Homo sapiens |
CHEMBL939353 |
single protein format |
CHEMBL213618 |
OBDepict
H
3
C
NH
N
N
S
N
H
O
H
NH
2
Cl
Cl
|
IC50 |
= |
400.0 |
nM |
436.37 |
CNc1nccc(-c2ccc(C(=O)N[C@H](CN)Cc3ccc(Cl)cc3Cl)s2)n1 |
Homo sapiens |
CHEMBL868619 |
single protein format |
CHEMBL1950289 |
OBDepict
F
F
F
N
H
N
N
N
H
N
O
N
H
H
H
HO
|
IC50 |
= |
480.0 |
nM |
448.45 |
O[C@H]1CC[C@H](Nc2ncc3nc(Nc4c(F)cc(F)cc4F)n([C@H]4CCOC4)c3n2)CC1 |
Homo sapiens |
CHEMBL1955667 |
single protein format |
CHEMBL4527526 |
OBDepict
OH
N
H
O
F
Cl
N
N
NH
CH
3
N
H
3
C
N
H
|
IC50 |
= |
510.0 |
nM |
454.89 |
Cc1n[nH]c(C)c1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1 |
Homo sapiens |
CHEMBL4425911 |
single protein format |
CHEMBL4446409 |
OBDepict
HO
N
H
O
F
Cl
N
N
HN
N
N
CH
3
F
F
F
|
IC50 |
= |
550.0 |
nM |
508.86 |
Cn1cc(Nc2nccc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)c(C(F)(F)F)n1 |
Homo sapiens |
CHEMBL4425911 |
single protein format |
CHEMBL364935 |
OBDepict
Br
N
H
N
N
N
H
F
F
F
N
N
H
|
IC50 |
= |
750.0 |
nM |
449.23 |
FC(F)(F)c1cnc(Nc2ccc(Br)cc2)nc1Nc1ccc2[nH]cnc2c1 |
Homo sapiens |
CHEMBL826978 |
single protein format |
CHEMBL4060295 |
OBDepict
CH
3
HN
N
N
O
H
3
C
N
H
N
H
O
N
O
H
3
C
CH
3
H
3
C
|
IC50 |
= |
790.0 |
nM |
396.45 |
CNc1cc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)on3)c(C)c2)ncn1 |
Homo sapiens |
CHEMBL3994955 |
assay format |
CHEMBL3799725 |
OBDepict
HO
N
H
H
O
Cl
N
N
H
N
|
IC50 |
= |
833.0 |
nM |
392.85 |
O=C(N[C@@H](CO)c1cccc(Cl)c1)c1ccc2[nH]nc(-c3ccncc3)c2c1 |
Homo sapiens |
CHEMBL3802287 |
assay format |
CHEMBL1089119 |
OBDepict
F
F
F
N
HN
N
N
N
F
F
F
|
IC50 |
= |
980.0 |
nM |
435.33 |
FC(F)(F)c1ccc(Nc2ccnc3nc(-c4ncccc4C(F)(F)F)ccc23)nc1 |
Homo sapiens |
CHEMBL1114419 |
single protein format |