molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4868141 |
|
IC50 |
= |
-44200.0 |
nM |
532.67 |
Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2OC2CCCCC2)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804453 |
cell-based format |
CHEMBL4855542 |
OBDepict
NH
2
N
S
N
O
NH
|
IC50 |
= |
-36300.0 |
nM |
372.45 |
Nc1ncc(-c2cccc3ncsc23)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804453 |
cell-based format |
CHEMBL4860979 |
OBDepict
F
S
N
O
O
CH
3
N
H
2
N
O
N
H
|
IC50 |
= |
-25800.0 |
nM |
466.54 |
CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)c(F)c1 |
Homo sapiens |
CHEMBL4804453 |
cell-based format |
CHEMBL4855730 |
OBDepict
F
NH
S
N
O
O
H
2
N
O
HN
|
IC50 |
= |
-24700.0 |
nM |
452.51 |
Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2F)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804453 |
cell-based format |
CHEMBL3640006 |
OBDepict
O
N
H
CH
3
H
3
C
CH
3
HN
O
N
O
|
IC50 |
= |
0.04 |
nM |
361.4 |
Cc1ccc(C(=O)Nc2ccon2)cc1-c1ccc2c(c1)NC(=O)C2(C)C |
Homo sapiens |
CHEMBL3705800 |
single protein format |
CHEMBL1911339 |
OBDepict
O
N
H
F
F
CH
3
O
N
N
H
|
IC50 |
= |
0.06 |
nM |
423.46 |
Cc1ccc2c(NC3CC3)noc2c1-c1ccc2c(c1)NC(=O)C21CCC(F)(F)CC1 |
Homo sapiens |
CHEMBL1913342 |
single protein format |
CHEMBL1825149 |
OBDepict
O
N
H
S
H
3
C
N
H
O
|
IC50 |
= |
0.08 |
nM |
392.52 |
Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(c1)NC(=O)C21CCSCC1 |
Homo sapiens |
CHEMBL1825474 |
single protein format |
CHEMBL1825148 |
OBDepict
O
N
H
N
O
CH
3
N
H
O
O
|
IC50 |
= |
0.09 |
nM |
403.44 |
Cc1ccc(C(=O)Nc2ccon2)cc1-c1ccc2c(c1)NC(=O)C21CCOCC1 |
Homo sapiens |
CHEMBL1825474 |
single protein format |
CHEMBL328614 |
OBDepict
F
Cl
N
H
N
O
N
H
Cl
Cl
|
IC50 |
= |
0.1 |
nM |
504.82 |
O=C1NCc2c(-c3ccc(F)cc3Cl)cc(C3CCNCC3)cc2N1c1c(Cl)cccc1Cl |
Homo sapiens |
CHEMBL734090 |
single protein format |
CHEMBL327959 |
OBDepict
F
Cl
O
N
H
N
O
Cl
Cl
HN
|
IC50 |
= |
0.1 |
nM |
520.82 |
O=C1NCc2c(-c3ccc(F)cc3Cl)cc(OC3CCNCC3)cc2N1c1c(Cl)cccc1Cl |
Homo sapiens |
CHEMBL734090 |
single protein format |
CHEMBL199680 |
OBDepict
Cl
N
O
N
Cl
Cl
CH
3
CH
3
H
3
C
|
IC50 |
= |
0.1 |
nM |
539.93 |
CC(C)(C)N1CCC(c2cc(-c3ccccc3Cl)c3ccc(=O)n(-c4c(Cl)cccc4Cl)c3c2)CC1 |
Homo sapiens |
CHEMBL863917 |
single protein format |
CHEMBL4060815 |
OBDepict
H
3
C
NH
O
O
N
H
F
NH
F
O
F
|
IC50 |
= |
0.1 |
nM |
529.52 |
CNC(=O)c1ccc2c(c1)C(=O)c1ccc(Nc3cc(NC(=O)c4cccc(F)c4)c(F)cc3F)cc1CC2 |
Homo sapiens |
CHEMBL4019402 |
single protein format |
CHEMBL97227 |
OBDepict
O
HN
N
Cl
Cl
N
Cl
NH
|
IC50 |
= |
0.1 |
nM |
501.85 |
O=C1NCc2c(-c3ccccc3Cl)cc(CN3CCNCC3)cc2N1c1c(Cl)cccc1Cl |
Homo sapiens |
CHEMBL734090 |
single protein format |
CHEMBL327746 |
OBDepict
F
Cl
N
H
N
N
O
Cl
Cl
HN
|
IC50 |
= |
0.13 |
nM |
519.84 |
O=C1NCc2c(-c3ccc(F)cc3Cl)cc(CN3CCNCC3)cc2N1c1c(Cl)cccc1Cl |
Homo sapiens |
CHEMBL734090 |
single protein format |
CHEMBL1916528 |
OBDepict
_
O
+
N
N
Cl
Cl
N
H
Cl
NH
|
IC50 |
= |
0.13 |
nM |
499.83 |
[O-][n+]1ccc2c(-c3ccccc3Cl)cc(NC3CCNCC3)nc2c1-c1c(Cl)cccc1Cl |
Homo sapiens |
CHEMBL1918093 |
single protein format |
CHEMBL199679 |
OBDepict
F
F
N
O
N
Cl
Cl
CH
3
CH
3
H
3
C
|
IC50 |
= |
0.14 |
nM |
541.47 |
CC(C)(C)N1CCC(c2cc(-c3ccc(F)cc3F)c3ccc(=O)n(-c4c(Cl)cccc4Cl)c3c2)CC1 |
Homo sapiens |
CHEMBL863917 |
single protein format |
CHEMBL1911338 |
OBDepict
O
N
H
O
CH
3
O
N
N
H
|
IC50 |
= |
0.16 |
nM |
389.46 |
Cc1ccc2c(NC3CC3)noc2c1-c1ccc2c(c1)NC(=O)C21CCOCC1 |
Homo sapiens |
CHEMBL1913342 |
single protein format |
CHEMBL522689 |
OBDepict
CH
3
HN
H
3
C
H
N
N
CH
3
O
N
N
H
H
3
C
|
Ki |
= |
0.2 |
nM |
361.45 |
CC[C@H](C)Nc1nncc2cc(-c3c(C)ccc4c(NC)noc34)ccc12 |
Homo sapiens |
CHEMBL1035784 |
single protein format |
CHEMBL94825 |
OBDepict
O
HN
N
Cl
Cl
O
Cl
NH
|
IC50 |
= |
0.2 |
nM |
502.83 |
O=C1NCc2c(-c3ccccc3Cl)cc(OC3CCNCC3)cc2N1c1c(Cl)cccc1Cl |
Homo sapiens |
CHEMBL734090 |
single protein format |
CHEMBL4104440 |
OBDepict
CH
3
HN
O
O
N
H
F
HN
F
O
F
F
F
|
IC50 |
= |
0.2 |
nM |
579.53 |
CNC(=O)c1ccc2c(c1)C(=O)c1ccc(Nc3cc(NC(=O)c4ccc(C(F)(F)F)cc4)c(F)cc3F)cc1CC2 |
Homo sapiens |
CHEMBL4019402 |
single protein format |
CHEMBL212549 |
OBDepict
F
F
N
H
N
O
N
Cl
Cl
CH
3
H
3
C
|
IC50 |
= |
0.2 |
nM |
530.45 |
CC(C)N1CCC(c2cc(-c3ccc(F)cc3F)c3c(c2)N(c2c(Cl)cccc2Cl)C(=O)NC3)CC1 |
Homo sapiens |
CHEMBL867362 |
single protein format |
CHEMBL259922 |
OBDepict
CH
3
NH
N
N
H
O
N
N
N
N
O
|
Ki |
= |
0.2 |
nM |
411.43 |
Cc1ccc(C(=O)Nc2ccon2)cc1Nc1ncnc2c1cnn2-c1ccccc1 |
Homo sapiens |
CHEMBL934611 |
single protein format |
CHEMBL3649495 |
OBDepict
F
F
O
N
N
N
CH
3
|
IC50 |
= |
0.2 |
nM |
349.34 |
Cc1ccccc1-c1nncc2nc(Oc3ccc(F)cc3F)ccc12 |
Homo sapiens |
CHEMBL3706342 |
single protein format |
CHEMBL2401994 |
OBDepict
O
N
H
S
CH
3
NH
O
N
O
O
|
IC50 |
= |
0.2 |
nM |
489.6 |
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)s1 |
Homo sapiens |
CHEMBL2405979 |
assay format |
CHEMBL316604 |
OBDepict
F
Cl
N
H
N
O
N
Cl
Cl
CH
3
CH
3
H
3
C
|
IC50 |
= |
0.2 |
nM |
560.93 |
CC(C)(C)N1CCC(c2cc(-c3ccc(F)cc3Cl)c3c(c2)N(c2c(Cl)cccc2Cl)C(=O)NC3)CC1 |
Homo sapiens |
CHEMBL734090 |
single protein format |
CHEMBL4073561 |
OBDepict
CH
3
HN
O
O
N
H
F
HN
F
O
Cl
|
IC50 |
= |
0.2 |
nM |
545.97 |
CNC(=O)c1ccc2c(c1)C(=O)c1ccc(Nc3cc(NC(=O)c4ccc(Cl)cc4)c(F)cc3F)cc1CC2 |
Homo sapiens |
CHEMBL4019402 |
single protein format |
CHEMBL4069496 |
OBDepict
CH
3
HN
O
O
N
H
F
HN
F
O
O
CH
3
|
IC50 |
= |
0.2 |
nM |
541.55 |
CNC(=O)c1ccc2c(c1)C(=O)c1ccc(Nc3cc(NC(=O)c4cccc(OC)c4)c(F)cc3F)cc1CC2 |
Homo sapiens |
CHEMBL4019402 |
single protein format |
CHEMBL319556 |
OBDepict
F
F
N
H
N
O
N
H
Cl
Cl
|
IC50 |
= |
0.2 |
nM |
488.37 |
O=C1NCc2c(-c3ccc(F)cc3F)cc(C3CCNCC3)cc2N1c1c(Cl)cccc1Cl |
Homo sapiens |
CHEMBL734090 |
single protein format |
CHEMBL495118 |
OBDepict
H
3
C
NH
N
O
Cl
N
N
N
H
H
3
C
O
|
Ki |
= |
0.2 |
nM |
409.88 |
CNc1noc2c(-c3ccc4c(N5CCOC[C@@H]5C)nncc4c3)c(Cl)ccc12 |
Homo sapiens |
CHEMBL1035784 |
single protein format |
CHEMBL1800222 |
OBDepict
O
N
H
N
O
H
3
C
N
H
O
|
IC50 |
= |
0.22 |
nM |
387.44 |
Cc1ccc(C(=O)Nc2ccon2)cc1-c1ccc2c(c1)NC(=O)C21CCCC1 |
Homo sapiens |
CHEMBL1804666 |
single protein format |
CHEMBL1916527 |
OBDepict
_
O
+
N
N
Cl
Cl
N
Cl
N
H
|
IC50 |
= |
0.26 |
nM |
485.8 |
[O-][n+]1ccc2c(-c3ccccc3Cl)cc(N3CCNCC3)nc2c1-c1c(Cl)cccc1Cl |
Homo sapiens |
CHEMBL1918093 |
single protein format |
CHEMBL369989 |
OBDepict
F
Cl
N
O
H
3
C
H
3
C
N
H
CH
3
CH
3
Cl
Cl
|
IC50 |
= |
0.26 |
nM |
555.91 |
CC1(C)C=C(c2cc(-c3ccc(F)cc3Cl)c3ccc(=O)n(-c4c(Cl)cccc4Cl)c3c2)CC(C)(C)N1 |
Homo sapiens |
CHEMBL863917 |
single protein format |
CHEMBL1916523 |
OBDepict
Cl
N
+
N
_
O
N
H
F
F
|
IC50 |
= |
0.27 |
nM |
451.9 |
[O-][n+]1ccc2c(-c3ccccc3Cl)cc(C3CCNCC3)nc2c1-c1c(F)cccc1F |
Homo sapiens |
CHEMBL1918093 |
single protein format |
CHEMBL4074237 |
OBDepict
HO
OH
H
N
H
O
O
N
H
CH
3
NH
F
O
|
IC50 |
= |
0.28 |
nM |
567.62 |
Cc1cc(F)c(NC(=O)c2ccccc2)cc1Nc1ccc2c(c1)CCc1ccc(C(=O)NC[C@@H](O)CO)cc1C2=O |
Homo sapiens |
CHEMBL4019404 |
single protein format |
CHEMBL1916525 |
OBDepict
F
F
NH
N
+
N
_
O
F
F
HN
|
IC50 |
= |
0.28 |
nM |
468.45 |
[O-][n+]1ccc2c(-c3ccc(F)cc3F)cc(NC3CCNCC3)nc2c1-c1c(F)cccc1F |
Homo sapiens |
CHEMBL1918093 |
single protein format |
CHEMBL199484 |
OBDepict
F
Cl
N
O
N
F
F
CH
3
CH
3
H
3
C
|
IC50 |
= |
0.3 |
nM |
525.01 |
CC(C)(C)N1CCC(c2cc(-c3ccc(F)cc3Cl)c3ccc(=O)n(-c4c(F)cccc4F)c3c2)CC1 |
Homo sapiens |
CHEMBL863917 |
single protein format |
CHEMBL3649496 |
OBDepict
F
F
O
N
N
N
CH
3
O
NH
2
|
IC50 |
= |
0.3 |
nM |
392.37 |
Cc1ccc(C(N)=O)cc1-c1nncc2nc(Oc3ccc(F)cc3F)ccc12 |
Homo sapiens |
CHEMBL3706342 |
single protein format |
CHEMBL318934 |
OBDepict
F
Cl
HN
N
O
N
Cl
Cl
CH
3
|
IC50 |
= |
0.3 |
nM |
572.94 |
CC(C1CC1)N1CCC(c2cc(-c3ccc(F)cc3Cl)c3c(c2)N(c2c(Cl)cccc2Cl)C(=O)NC3)CC1 |
Homo sapiens |
CHEMBL734090 |
single protein format |
CHEMBL3649487 |
OBDepict
F
F
HN
N
N
N
F
F
|
IC50 |
= |
0.3 |
nM |
370.31 |
Fc1ccc(Nc2ccc3c(-c4ccc(F)cc4F)nncc3n2)c(F)c1 |
Homo sapiens |
CHEMBL3706342 |
single protein format |
CHEMBL4100394 |
OBDepict
H
3
C
NH
O
O
N
H
F
NH
F
O
Cl
|
IC50 |
= |
0.3 |
nM |
545.97 |
CNC(=O)c1ccc2c(c1)C(=O)c1ccc(Nc3cc(NC(=O)c4cccc(Cl)c4)c(F)cc3F)cc1CC2 |
Homo sapiens |
CHEMBL4019402 |
single protein format |
CHEMBL494916 |
OBDepict
CH
3
O
N
H
2
N
N
N
N
H
CH
3
O
|
Ki |
= |
0.3 |
nM |
375.43 |
Cc1ccc2c(N)noc2c1-c1ccc2c(N3CCOC[C@@H]3C)nncc2c1 |
Homo sapiens |
CHEMBL1035784 |
single protein format |
CHEMBL493496 |
OBDepict
H
3
C
NH
N
O
CH
3
N
N
N
H
H
3
C
O
|
Ki |
= |
0.3 |
nM |
389.46 |
CNc1noc2c(-c3ccc4c(N5CCOC[C@H]5C)nncc4c3)c(C)ccc12 |
Homo sapiens |
CHEMBL1035784 |
single protein format |
CHEMBL495493 |
OBDepict
CH
3
HN
N
O
CH
3
N
N
N
H
CH
3
O
|
Ki |
= |
0.3 |
nM |
403.49 |
CCNc1noc2c(-c3ccc4c(N5CCOC[C@@H]5C)nncc4c3)c(C)ccc12 |
Homo sapiens |
CHEMBL1035784 |
single protein format |
CHEMBL381632 |
OBDepict
F
Cl
N
O
N
Cl
Cl
CH
3
CH
3
H
3
C
|
IC50 |
= |
0.31 |
nM |
557.92 |
CC(C)(C)N1CCC(c2cc(-c3ccc(F)cc3Cl)c3ccc(=O)n(-c4c(Cl)cccc4Cl)c3c2)CC1 |
Homo sapiens |
CHEMBL863917 |
single protein format |
CHEMBL199291 |
OBDepict
F
Cl
N
N
O
N
Cl
Cl
CH
3
CH
3
H
3
C
|
IC50 |
= |
0.38 |
nM |
558.91 |
CC(C)(C)N1CCC(c2cc3c(ccc(=O)n3-c3c(Cl)cccc3Cl)c(-c3ccc(F)cc3Cl)n2)CC1 |
Homo sapiens |
CHEMBL863917 |
single protein format |
CHEMBL523516 |
OBDepict
CH
3
NH
H
3
C
N
O
Cl
N
N
N
H
H
3
C
O
|
Ki |
= |
0.4 |
nM |
437.93 |
CC(C)Nc1noc2c(-c3ccc4c(N5CCOC[C@@H]5C)nncc4c3)c(Cl)ccc12 |
Homo sapiens |
CHEMBL1035784 |
single protein format |
CHEMBL378919 |
OBDepict
CH
3
O
N
N
N
O
N
F
|
IC50 |
= |
0.4 |
nM |
386.39 |
COc1ccccc1-c1nnc2ccc(-c3ocnc3-c3ccc(F)cc3)cn12 |
Homo sapiens |
CHEMBL868607 |
single protein format |
CHEMBL4089021 |
OBDepict
CH
3
HN
O
O
N
H
F
HN
F
O
F
|
IC50 |
= |
0.4 |
nM |
529.52 |
CNC(=O)c1ccc2c(c1)C(=O)c1ccc(Nc3cc(NC(=O)c4ccc(F)cc4)c(F)cc3F)cc1CC2 |
Homo sapiens |
CHEMBL4019402 |
single protein format |
CHEMBL1911337 |
OBDepict
H
3
C
O
N
N
H
N
H
H
3
C
CH
3
O
|
IC50 |
= |
0.4 |
nM |
347.42 |
Cc1ccc2c(NC3CC3)noc2c1-c1ccc2c(c1)NC(=O)C2(C)C |
Homo sapiens |
CHEMBL1913342 |
single protein format |
CHEMBL4072910 |
OBDepict
CH
3
O
O
O
O
HN
CH
3
N
H
F
O
S
|
IC50 |
= |
0.4 |
nM |
516.55 |
COC(=O)c1ccc2c(c1)C(=O)c1ccc(Nc3cc(NC(=O)c4ccsc4)c(F)cc3C)cc1OC2 |
Homo sapiens |
CHEMBL4019402 |
single protein format |
CHEMBL4096722 |
OBDepict
H
3
C
O
N
H
O
F
HN
F
O
N
H
O
CH
3
|
IC50 |
= |
0.4 |
nM |
541.55 |
CNC(=O)c1ccc2c(c1)C(=O)c1ccc(Nc3cc(NC(=O)c4ccc(OC)cc4)c(F)cc3F)cc1CC2 |
Homo sapiens |
CHEMBL4019402 |
single protein format |
CHEMBL437971 |
OBDepict
CH
3
O
N
H
O
HN
CH
3
N
N
N
H
3
C
N
H
O
|
IC50 |
= |
0.4 |
nM |
444.5 |
CONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)NCc4ccccc4)c(C)c23)c1 |
Homo sapiens |
CHEMBL926123 |
single protein format |
CHEMBL419140 |
OBDepict
F
Cl
NH
N
O
N
Cl
Cl
|
IC50 |
= |
0.4 |
nM |
558.91 |
O=C1NCc2c(-c3ccc(F)cc3Cl)cc(C3CCN(C4CCC4)CC3)cc2N1c1c(Cl)cccc1Cl |
Homo sapiens |
CHEMBL734090 |
single protein format |
CHEMBL209644 |
OBDepict
CH
3
O
N
N
N
O
N
F
|
IC50 |
= |
0.4 |
nM |
400.41 |
CCOc1ccccc1-c1nnc2ccc(-c3ocnc3-c3ccc(F)cc3)cn12 |
Homo sapiens |
CHEMBL868607 |
single protein format |
CHEMBL492265 |
OBDepict
H
3
C
N
H
O
N
N
H
3
C
|
Ki |
= |
0.4 |
nM |
393.49 |
Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(-c3ccccc3C)nncc2c1 |
Homo sapiens |
CHEMBL4337359 |
single protein format |
CHEMBL495084 |
OBDepict
CH
3
O
N
N
H
N
N
CH
3
|
Ki |
= |
0.4 |
nM |
406.49 |
Cc1ccccc1-c1nncc2cc(-c3c(C)ccc4c(NC5CC5)noc34)ccc12 |
Homo sapiens |
CHEMBL1035784 |
single protein format |
CHEMBL523374 |
OBDepict
H
3
C
NH
N
O
CH
3
N
N
N
H
H
3
C
O
|
Ki |
= |
0.4 |
nM |
389.46 |
CNc1noc2c(-c3ccc4c(N5CCOC[C@@H]5C)nncc4c3)c(C)ccc12 |
Homo sapiens |
CHEMBL1035784 |
single protein format |
CHEMBL494917 |
OBDepict
CH
3
N
H
N
O
H
3
C
N
N
O
H
3
C
CH
3
|
Ki |
= |
0.4 |
nM |
348.41 |
CNc1noc2c(-c3ccc4c(OC(C)C)nncc4c3)c(C)ccc12 |
Homo sapiens |
CHEMBL1035784 |
single protein format |
CHEMBL262592 |
OBDepict
H
3
C
N
H
O
N
H
3
C
N
N
N
H
CH
3
NH
O
F
N
O
|
Ki |
= |
0.42 |
nM |
531.59 |
CCNC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4cc(F)cc(N5CCOCC5)c4)ccc3C)c2c1C |
Homo sapiens |
CHEMBL933483 |
single protein format |
CHEMBL258895 |
OBDepict
CH
3
NH
NH
N
N
O
N
CH
3
N
H
O
N
N
CH
3
H
O
|
Ki |
= |
0.44 |
nM |
590.69 |
Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1Nc1ncnn2cc(C(=O)N[C@@H](C)c3ccccc3)c(C)c12 |
Homo sapiens |
CHEMBL933483 |
single protein format |
CHEMBL199701 |
OBDepict
F
Cl
N
O
N
H
Cl
Cl
|
IC50 |
= |
0.45 |
nM |
527.85 |
O=c1ccc2c(-c3ccc(F)cc3Cl)cc(C3CC4CCC(C3)N4)cc2n1-c1c(Cl)cccc1Cl |
Homo sapiens |
CHEMBL863917 |
single protein format |
CHEMBL408150 |
OBDepict
CH
3
NH
NH
N
N
O
N
CH
3
N
H
O
N
CH
3
H
O
|
Ki |
= |
0.46 |
nM |
589.7 |
Cc1ccc(NC(=O)c2cccc(N3CCOCC3)c2)cc1Nc1ncnn2cc(C(=O)N[C@@H](C)c3ccccc3)c(C)c12 |
Homo sapiens |
CHEMBL933483 |
single protein format |
CHEMBL1916530 |
OBDepict
_
O
+
N
N
Cl
Cl
O
Cl
NH
|
IC50 |
= |
0.46 |
nM |
500.81 |
[O-][n+]1ccc2c(-c3ccccc3Cl)cc(OC3CCNCC3)nc2c1-c1c(Cl)cccc1Cl |
Homo sapiens |
CHEMBL1918093 |
single protein format |
CHEMBL1916360 |
OBDepict
F
Cl
N
+
N
_
O
N
H
Cl
Cl
|
IC50 |
= |
0.49 |
nM |
502.8 |
[O-][n+]1ccc2c(-c3ccc(F)cc3Cl)cc(C3CCNCC3)nc2c1-c1c(Cl)cccc1Cl |
Homo sapiens |
CHEMBL1918093 |
single protein format |
CHEMBL495492 |
OBDepict
H
3
C
NH
CH
3
N
N
CH
3
O
N
N
H
|
Ki |
= |
0.5 |
nM |
373.46 |
Cc1ccc2c(NC3CC3)noc2c1-c1ccc2c(NC(C)C)nncc2c1 |
Homo sapiens |
CHEMBL1035784 |
single protein format |
CHEMBL494305 |
OBDepict
CH
3
N
H
N
O
H
3
C
N
N
NH
H
3
C
CH
3
|
Ki |
= |
0.5 |
nM |
347.42 |
CNc1noc2c(-c3ccc4c(NC(C)C)nncc4c3)c(C)ccc12 |
Homo sapiens |
CHEMBL1035784 |
single protein format |
CHEMBL3649484 |
OBDepict
F
F
N
H
N
N
N
CH
3
S
O
O
CH
3
|
IC50 |
= |
0.5 |
nM |
426.45 |
Cc1cc(S(C)(=O)=O)ccc1-c1nncc2nc(Nc3ccc(F)cc3F)ccc12 |
Homo sapiens |
CHEMBL3706342 |
single protein format |
CHEMBL1916529 |
OBDepict
CH
3
N
CH
3
CH
3
CH
3
H
3
C
HN
N
+
N
Cl
_
O
Cl
Cl
|
IC50 |
= |
0.5 |
nM |
569.96 |
CN1C(C)(C)CC(Nc2cc(-c3ccccc3Cl)c3cc[n+]([O-])c(-c4c(Cl)cccc4Cl)c3n2)CC1(C)C |
Homo sapiens |
CHEMBL1918093 |
single protein format |
CHEMBL327987 |
OBDepict
O
HN
N
Cl
Cl
N
H
Cl
NH
|
IC50 |
= |
0.5 |
nM |
501.85 |
O=C1NCc2c(-c3ccccc3Cl)cc(NC3CCNCC3)cc2N1c1c(Cl)cccc1Cl |
Homo sapiens |
CHEMBL734090 |
single protein format |
CHEMBL3649483 |
OBDepict
F
F
N
H
N
N
N
CH
3
|
IC50 |
= |
0.5 |
nM |
348.36 |
Cc1ccccc1-c1nncc2nc(Nc3ccc(F)cc3F)ccc12 |
Homo sapiens |
CHEMBL3706342 |
single protein format |
CHEMBL419134 |
OBDepict
F
Cl
HN
N
O
N
Cl
Cl
|
IC50 |
= |
0.5 |
nM |
558.91 |
O=C1NCc2c(-c3ccc(F)cc3Cl)cc(C3CCN(CC4CC4)CC3)cc2N1c1c(Cl)cccc1Cl |
Homo sapiens |
CHEMBL734090 |
single protein format |
CHEMBL211795 |
OBDepict
CH
3
N
CH
3
N
N
N
N
N
Cl
N
H
O
Cl
Cl
|
IC50 |
= |
0.5 |
nM |
560.92 |
CN(C)CCN1CCN(c2nc(-c3ccccc3Cl)c3c(n2)N(c2c(Cl)cccc2Cl)C(=O)NC3)CC1 |
Homo sapiens |
CHEMBL867362 |
single protein format |
CHEMBL212803 |
OBDepict
H
3
C
N
N
H
N
N
N
N
H
O
Cl
Cl
Cl
|
IC50 |
= |
0.5 |
nM |
543.89 |
CN1C2CCC1CC(Nc1nc(-c3ccccc3Cl)c3c(n1)N(c1c(Cl)cccc1Cl)C(=O)NC3)C2 |
Homo sapiens |
CHEMBL867362 |
single protein format |
CHEMBL96653 |
OBDepict
CH
3
N
N
Cl
N
H
O
Cl
Cl
F
|
IC50 |
= |
0.5 |
nM |
518.85 |
CN1CCC(c2cc(-c3ccc(F)cc3Cl)c3c(c2)N(c2c(Cl)cccc2Cl)C(=O)NC3)CC1 |
Homo sapiens |
CHEMBL734090 |
single protein format |
CHEMBL380806 |
OBDepict
F
Cl
N
O
N
Cl
Cl
H
3
C
CH
3
|
IC50 |
= |
0.51 |
nM |
569.94 |
CC(C)N1C2CCC1CC(c1cc(-c3ccc(F)cc3Cl)c3ccc(=O)n(-c4c(Cl)cccc4Cl)c3c1)C2 |
Homo sapiens |
CHEMBL863917 |
single protein format |
CHEMBL199625 |
OBDepict
F
F
N
N
O
N
Cl
Cl
CH
3
CH
3
H
3
C
|
IC50 |
= |
0.51 |
nM |
542.46 |
CC(C)(C)N1CCC(c2cc3c(ccc(=O)n3-c3c(Cl)cccc3Cl)c(-c3ccc(F)cc3F)n2)CC1 |
Homo sapiens |
CHEMBL863917 |
single protein format |
CHEMBL1916520 |
OBDepict
F
Cl
N
+
N
_
O
N
Cl
Cl
CH
3
CH
3
H
3
C
|
IC50 |
= |
0.53 |
nM |
558.91 |
CC(C)(C)N1CCC(c2cc(-c3ccc(F)cc3Cl)c3cc[n+]([O-])c(-c4c(Cl)cccc4Cl)c3n2)CC1 |
Homo sapiens |
CHEMBL1918093 |
single protein format |
CHEMBL1916519 |
OBDepict
F
Cl
N
+
N
_
O
N
Cl
Cl
H
3
C
CH
3
|
IC50 |
= |
0.59 |
nM |
544.89 |
CC(C)N1CCC(c2cc(-c3ccc(F)cc3Cl)c3cc[n+]([O-])c(-c4c(Cl)cccc4Cl)c3n2)CC1 |
Homo sapiens |
CHEMBL1918093 |
single protein format |
CHEMBL477190 |
OBDepict
CH
3
NH
O
N
H
O
N
NH
|
Ki |
= |
0.6 |
nM |
454.57 |
Cc1ccc(NC(=O)c2ccnc(NC3CCC3)c2)cc1-c1ccc(C(=O)NCC2CC2)cc1 |
Homo sapiens |
CHEMBL987298 |
single protein format |
CHEMBL521860 |
OBDepict
CH
3
NH
O
N
O
CH
3
N
N
N
H
H
3
C
O
|
Ki |
= |
0.6 |
nM |
417.47 |
CC(=O)Nc1noc2c(-c3ccc4c(N5CCOC[C@@H]5C)nncc4c3)c(C)ccc12 |
Homo sapiens |
CHEMBL1035784 |
single protein format |
CHEMBL1089866 |
OBDepict
CH
3
N
O
N
N
CH
3
F
N
H
O
F
|
Ki |
= |
0.6 |
nM |
448.47 |
CCn1c(=O)c(-c2cc(C(=O)NC3CC3)ccc2C)cc2cnn(-c3ccc(F)cc3F)c21 |
Homo sapiens |
CHEMBL1103663 |
single protein format |
CHEMBL4064695 |
OBDepict
CH
3
O
O
O
O
N
H
HN
F
O
S
|
IC50 |
= |
0.6 |
nM |
502.52 |
COC(=O)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)c(NC(=O)c4cccs4)c3)cc1OC2 |
Homo sapiens |
CHEMBL4019402 |
single protein format |
CHEMBL492266 |
OBDepict
H
3
C
O
CH
3
N
CH
3
N
H
O
|
IC50 |
= |
0.6 |
nM |
360.46 |
Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(OC(C)C)cncc2c1 |
Homo sapiens |
CHEMBL1024853 |
single protein format |
CHEMBL264627 |
OBDepict
F
Cl
HN
N
O
N
Cl
Cl
|
IC50 |
= |
0.6 |
nM |
572.94 |
O=C1NCc2c(-c3ccc(F)cc3Cl)cc(C3CCN(CC4CCC4)CC3)cc2N1c1c(Cl)cccc1Cl |
Homo sapiens |
CHEMBL734090 |
single protein format |
CHEMBL96432 |
OBDepict
F
F
NH
N
H
N
O
Cl
Cl
HN
|
IC50 |
= |
0.6 |
nM |
503.38 |
O=C1NCc2c(-c3ccc(F)cc3F)cc(NC3CCNCC3)cc2N1c1c(Cl)cccc1Cl |
Homo sapiens |
CHEMBL734090 |
single protein format |
CHEMBL328242 |
OBDepict
F
Cl
N
H
N
O
N
Cl
Cl
CH
3
H
3
C
|
IC50 |
= |
0.6 |
nM |
546.9 |
CC(C)N1CCC(c2cc(-c3ccc(F)cc3Cl)c3c(c2)N(c2c(Cl)cccc2Cl)C(=O)NC3)CC1 |
Homo sapiens |
CHEMBL734090 |
single protein format |
CHEMBL377979 |
OBDepict
CH
3
N
CH
3
HN
N
N
N
Cl
N
H
O
Cl
Cl
|
IC50 |
= |
0.6 |
nM |
545.9 |
CC(C)N1CCC(Nc2nc(-c3ccccc3Cl)c3c(n2)N(c2c(Cl)cccc2Cl)C(=O)NC3)CC1 |
Homo sapiens |
CHEMBL867362 |
single protein format |
CHEMBL493670 |
OBDepict
H
3
C
O
CH
3
N
N
CH
3
N
H
O
|
IC50 |
= |
0.6 |
nM |
361.45 |
Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(OC(C)C)nncc2c1 |
Homo sapiens |
CHEMBL1024853 |
single protein format |
CHEMBL200093 |
OBDepict
H
3
C
N
N
Cl
O
Cl
Cl
F
|
IC50 |
= |
0.61 |
nM |
541.88 |
CN1C2CCC1CC(c1cc(-c3ccc(F)cc3Cl)c3ccc(=O)n(-c4c(Cl)cccc4Cl)c3c1)C2 |
Homo sapiens |
CHEMBL863917 |
single protein format |
CHEMBL522877 |
OBDepict
H
3
C
O
N
N
H
N
N
N
H
H
3
C
O
|
Ki |
= |
0.7 |
nM |
415.5 |
Cc1ccc2c(NC3CC3)noc2c1-c1ccc2c(N3CCOC[C@@H]3C)nncc2c1 |
Homo sapiens |
CHEMBL1035784 |
single protein format |
CHEMBL211628 |
OBDepict
F
F
N
O
N
N
N
CH
3
|
IC50 |
= |
0.7 |
nM |
352.34 |
CC1(c2nnc3ccc(-c4ocnc4-c4ccc(F)cc4F)cn23)CC1 |
Homo sapiens |
CHEMBL868607 |
single protein format |
CHEMBL512255 |
OBDepict
H
3
C
O
N
N
NH
O
H
N
N
N
H
O
F
F
|
IC50 |
= |
0.7 |
nM |
480.48 |
COc1ccc(C(=O)NN2CCOCC2)cc1-c1n[nH]c2nc(Nc3ccc(F)cc3F)ccc12 |
Homo sapiens |
CHEMBL967081 |
single protein format |
CHEMBL3649497 |
OBDepict
F
F
O
N
N
N
CH
3
S
O
O
CH
3
|
IC50 |
= |
0.7 |
nM |
427.43 |
Cc1cc(S(C)(=O)=O)ccc1-c1nncc2nc(Oc3ccc(F)cc3F)ccc12 |
Homo sapiens |
CHEMBL3706342 |
single protein format |
CHEMBL209442 |
OBDepict
O
N
H
N
N
Cl
Cl
N
HN
Cl
H
3
C
CH
3
NH
CH
3
CH
3
|
IC50 |
= |
0.7 |
nM |
559.93 |
CC1(C)CC(Nc2nc(-c3ccccc3Cl)c3c(n2)N(c2c(Cl)cccc2Cl)C(=O)NC3)CC(C)(C)N1 |
Homo sapiens |
CHEMBL867362 |
single protein format |
CHEMBL257236 |
OBDepict
OH
N
Cl
O
Cl
Cl
|
IC50 |
= |
0.7 |
nM |
416.69 |
O=c1ccc2c(-c3ccccc3Cl)cc(O)cc2n1-c1c(Cl)cccc1Cl |
Homo sapiens |
CHEMBL935072 |
single protein format |
CHEMBL4102854 |
OBDepict
CH
3
HN
O
O
N
H
F
HN
F
O
|
IC50 |
= |
0.7 |
nM |
511.53 |
CNC(=O)c1ccc2c(c1)C(=O)c1ccc(Nc3cc(NC(=O)c4ccccc4)c(F)cc3F)cc1CC2 |
Homo sapiens |
CHEMBL4019402 |
single protein format |
CHEMBL1916361 |
OBDepict
CH
3
N
N
+
N
Cl
_
O
Cl
Cl
F
|
IC50 |
= |
0.72 |
nM |
516.83 |
CN1CCC(c2cc(-c3ccc(F)cc3Cl)c3cc[n+]([O-])c(-c4c(Cl)cccc4Cl)c3n2)CC1 |
Homo sapiens |
CHEMBL1918093 |
single protein format |
CHEMBL564912 |
OBDepict
F
F
N
O
N
H
Cl
Cl
|
IC50 |
= |
0.74 |
nM |
487.38 |
O=C1CCc2c(-c3ccc(F)cc3F)cc(C3CCNCC3)cc2N1c1c(Cl)cccc1Cl |
Homo sapiens |
CHEMBL1063098 |
single protein format |
CHEMBL388582 |
OBDepict
O
N
H
|
IC50 |
= |
0.74 |
nM |
147.18 |
O=C1CCc2ccccc2N1 |
Homo sapiens |
CHEMBL1067575 |
single protein format |
CHEMBL409901 |
OBDepict
O
N
H
H
NH
O
N
Cl
O
Cl
Cl
|
IC50 |
= |
0.75 |
nM |
556.88 |
O=C(NCCOc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1)[C@@H]1CCCN1 |
Homo sapiens |
CHEMBL935072 |
single protein format |