molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4475351 |
|
IC50 |
= |
1.1 |
nM |
520.56 |
CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2Cc3ccc(F)cc3CC[C@H]2C2CC2)C1=O |
Homo sapiens |
CHEMBL4325427 |
single protein format |
CHEMBL4097025 |
OBDepict
H
3
C
N
H
N
O
N
N
N
O
F
F
N
N
CH
3
|
IC50 |
= |
1.2 |
nM |
525.6 |
CNC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1 |
Homo sapiens |
CHEMBL4058605 |
single protein format |
CHEMBL4567310 |
OBDepict
F
O
N
O
H
N
O
NH
O
N
N
CH
3
|
IC50 |
= |
1.3 |
nM |
529.57 |
Cn1cc(-c2ccc3c(c2)CC[C@]32NC(=O)N(CC(=O)N3Cc4cc(F)ccc4OC[C@H]3C3CC3)C2=O)cn1 |
Homo sapiens |
CHEMBL4325427 |
single protein format |
CHEMBL4076748 |
OBDepict
H
3
C
N
O
N
N
N
O
F
F
N
N
CH
3
|
IC50 |
= |
1.3 |
nM |
510.59 |
CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1 |
Homo sapiens |
CHEMBL4058605 |
single protein format |
CHEMBL4587968 |
OBDepict
F
O
N
O
H
N
F
F
F
O
N
H
O
N
N
H
3
C
|
IC50 |
= |
1.8 |
nM |
557.5 |
Cn1cc(-c2ccc3c(c2)CC[C@]32NC(=O)N(CC(=O)N3Cc4cc(F)ccc4OC[C@H]3C(F)(F)F)C2=O)cn1 |
Homo sapiens |
CHEMBL4325427 |
single protein format |
CHEMBL4457144 |
OBDepict
CH
3
NH
HN
O
O
O
N
O
N
O
H
F
F
F
F
|
IC50 |
= |
1.9 |
nM |
548.49 |
CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2Cc3ccc(F)cc3CC[C@H]2C(F)(F)F)C1=O |
Homo sapiens |
CHEMBL4325427 |
single protein format |
CHEMBL4450724 |
OBDepict
F
O
N
O
H
N
F
F
F
O
O
O
N
N
H
3
C
|
IC50 |
= |
2.4 |
nM |
558.49 |
Cn1cc(-c2ccc3c(c2)CC[C@@]32OC(=O)N(CC(=O)N3Cc4cc(F)ccc4OC[C@H]3C(F)(F)F)C2=O)cn1 |
Homo sapiens |
CHEMBL4325427 |
single protein format |
CHEMBL4464962 |
OBDepict
CH
3
NH
HN
O
O
O
N
O
N
O
H
O
F
F
F
F
|
IC50 |
= |
2.4 |
nM |
550.47 |
CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2Cc3cc(F)ccc3OC[C@H]2C(F)(F)F)C1=O |
Homo sapiens |
CHEMBL4325427 |
single protein format |
CHEMBL4449592 |
OBDepict
CH
3
HN
NH
O
O
O
N
O
N
O
H
F
F
F
|
IC50 |
= |
2.6 |
nM |
530.5 |
CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2Cc3ccccc3CC[C@H]2C(F)(F)F)C1=O |
Homo sapiens |
CHEMBL4325427 |
single protein format |
CHEMBL4452911 |
OBDepict
CH
3
HN
NH
O
O
O
N
O
N
O
H
CH
3
F
|
IC50 |
= |
3.0 |
nM |
494.52 |
CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2Cc3ccc(F)cc3CC[C@H]2C)C1=O |
Homo sapiens |
CHEMBL4325427 |
single protein format |
CHEMBL4552724 |
OBDepict
CH
3
HN
N
H
O
O
O
N
O
N
O
H
|
IC50 |
= |
3.7 |
nM |
502.57 |
CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2Cc3ccccc3CC[C@H]2C2CC2)C1=O |
Homo sapiens |
CHEMBL4325427 |
single protein format |
CHEMBL4474031 |
OBDepict
H
3
C
H
N
O
N
O
O
O
NH
N
H
O
H
3
C
|
IC50 |
= |
4.0 |
nM |
504.59 |
CCC[C@@H]1CCc2ccccc2CN1C(=O)CN1C(=O)O[C@@]2(CCc3cc(NC(=O)NC)ccc32)C1=O |
Homo sapiens |
CHEMBL4325427 |
single protein format |
CHEMBL4474109 |
OBDepict
F
O
N
O
H
N
O
O
O
N
N
CH
3
|
IC50 |
= |
4.0 |
nM |
530.56 |
Cn1cc(-c2ccc3c(c2)CC[C@@]32OC(=O)N(CC(=O)N3Cc4cc(F)ccc4OC[C@H]3C3CC3)C2=O)cn1 |
Homo sapiens |
CHEMBL4325427 |
single protein format |
CHEMBL4449940 |
OBDepict
CH
3
HN
N
H
O
NH
O
N
O
N
O
H
O
F
|
IC50 |
= |
4.2 |
nM |
521.55 |
CNC(=O)Nc1ccc2c(c1)CC[C@]21NC(=O)N(CC(=O)N2Cc3cc(F)ccc3OC[C@H]2C2CC2)C1=O |
Homo sapiens |
CHEMBL4325427 |
single protein format |
CHEMBL4593536 |
OBDepict
CH
3
HN
NH
O
O
O
N
O
N
O
H
CH
3
H
3
C
|
IC50 |
= |
4.3 |
nM |
504.59 |
CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2Cc3ccccc3CC[C@H]2C(C)C)C1=O |
Homo sapiens |
CHEMBL4325427 |
single protein format |
CHEMBL4439084 |
OBDepict
CH
3
NH
HN
O
N
H
O
N
O
N
O
H
O
F
F
F
F
|
IC50 |
= |
7.5 |
nM |
549.48 |
CNC(=O)Nc1ccc2c(c1)CC[C@]21NC(=O)N(CC(=O)N2Cc3cc(F)ccc3OC[C@H]2C(F)(F)F)C1=O |
Homo sapiens |
CHEMBL4325427 |
single protein format |
CHEMBL4641354 |
OBDepict
N
H
3
C
H
N
H
H
N
H
O
N
N
N
CH
3
|
IC50 |
= |
8.1 |
nM |
450.55 |
C[C@H](CN[C@@H](C(=O)Nc1ccc(-c2cnn(C)c2)cn1)c1ccccc1)c1ccc(C#N)cc1 |
Homo sapiens |
CHEMBL4619245 |
assay format |
CHEMBL4794518 |
OBDepict
CH
3
N
H
O
N
H
O
HN
H
CH
3
H
N
|
IC50 |
= |
8.8 |
nM |
464.57 |
CCNC(=O)c1ccc2c(C(=O)[C@H](NC[C@@H](C)c3ccc(C#N)cc3)c3ccccc3)c[nH]c2c1 |
Homo sapiens |
CHEMBL4733332 |
assay format |
CHEMBL4456527 |
OBDepict
F
O
N
O
H
N
F
F
F
O
N
H
O
N
N
N
H
3
C
|
IC50 |
= |
10.0 |
nM |
558.49 |
Cn1cc(-c2cnc3c(c2)CC[C@]32NC(=O)N(CC(=O)N3Cc4cc(F)ccc4OC[C@H]3C(F)(F)F)C2=O)cn1 |
Homo sapiens |
CHEMBL4325427 |
single protein format |
CHEMBL4524352 |
OBDepict
CH
3
HN
NH
O
O
O
N
O
N
O
H
CH
3
|
IC50 |
= |
10.0 |
nM |
476.53 |
CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2Cc3ccccc3CC[C@H]2C)C1=O |
Homo sapiens |
CHEMBL4325427 |
single protein format |
CHEMBL4513653 |
OBDepict
CH
3
HN
NH
O
O
O
N
O
N
O
H
F
F
F
|
IC50 |
= |
10.0 |
nM |
530.5 |
CNC(=O)Nc1ccc2c(c1)CC[C@]21OC(=O)N(CC(=O)N2Cc3ccccc3CC[C@H]2C(F)(F)F)C1=O |
Homo sapiens |
CHEMBL4325427 |
single protein format |
CHEMBL4584269 |
OBDepict
CH
3
HN
NH
O
O
O
N
O
N
O
H
CH
3
O
|
IC50 |
= |
12.0 |
nM |
478.51 |
CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2Cc3ccccc3OC[C@H]2C)C1=O |
Homo sapiens |
CHEMBL4325427 |
single protein format |
CHEMBL4441280 |
OBDepict
F
O
N
O
H
N
F
F
F
O
N
H
O
N
N
N
H
3
C
|
IC50 |
= |
14.0 |
nM |
558.49 |
Cn1cc(-c2ccc3c(n2)CC[C@]32NC(=O)N(CC(=O)N3Cc4cc(F)ccc4OC[C@H]3C(F)(F)F)C2=O)cn1 |
Homo sapiens |
CHEMBL4325427 |
single protein format |
CHEMBL4648384 |
OBDepict
N
HN
H
O
N
N
N
N
H
3
C
|
IC50 |
= |
17.0 |
nM |
460.54 |
Cn1cc(-c2ccc3c(C(=O)[C@H](NCCc4ccc(C#N)cc4)c4ccccc4)cnn3c2)cn1 |
Homo sapiens |
CHEMBL4619245 |
assay format |
CHEMBL4636118 |
OBDepict
N
HN
H
N
H
O
N
N
N
CH
3
|
IC50 |
= |
19.0 |
nM |
436.52 |
Cn1cc(-c2ccc(NC(=O)[C@H](NCCc3ccc(C#N)cc3)c3ccccc3)nc2)cn1 |
Homo sapiens |
CHEMBL4619245 |
assay format |
CHEMBL4643833 |
OBDepict
N
HN
H
N
O
N
N
H
3
C
|
IC50 |
= |
21.0 |
nM |
461.57 |
Cn1cc(-c2ccc3c(c2)CCN3C(=O)[C@H](NCCc2ccc(C#N)cc2)c2ccccc2)cn1 |
Homo sapiens |
CHEMBL4619245 |
assay format |
CHEMBL4519167 |
OBDepict
F
O
N
O
H
N
F
F
F
O
N
H
O
N
N
N
CH
3
|
IC50 |
= |
30.0 |
nM |
558.49 |
Cn1cc(-c2cc3c(cn2)[C@]2(CC3)NC(=O)N(CC(=O)N3Cc4cc(F)ccc4OC[C@H]3C(F)(F)F)C2=O)cn1 |
Homo sapiens |
CHEMBL4325427 |
single protein format |
CHEMBL3968533 |
OBDepict
H
3
C
N
O
N
N
H
N
H
O
F
N
N
CH
3
|
IC50 |
= |
30.0 |
nM |
424.48 |
CC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4)cc3F)nn2[C@@H]2CCOC2)C1 |
Homo sapiens |
CHEMBL3864397 |
single protein format |
CHEMBL4640553 |
OBDepict
N
HN
H
O
N
H
N
N
N
H
3
C
|
IC50 |
= |
36.0 |
nM |
460.54 |
Cn1cc(-c2ccc3c(C(=O)[C@H](NCCc4ccc(C#N)cc4)c4ccccc4)c[nH]c3n2)cn1 |
Homo sapiens |
CHEMBL4619245 |
assay format |
CHEMBL4633516 |
OBDepict
N
HN
H
O
N
H
N
N
H
3
C
|
IC50 |
= |
40.0 |
nM |
459.55 |
Cn1cc(-c2ccc3c(C(=O)[C@H](NCCc4ccc(C#N)cc4)c4ccccc4)c[nH]c3c2)cn1 |
Homo sapiens |
CHEMBL4619245 |
assay format |
CHEMBL4472048 |
OBDepict
CH
3
HN
NH
O
O
O
N
O
N
O
H
CH
3
|
IC50 |
= |
46.0 |
nM |
476.53 |
CNC(=O)Nc1ccc2c(c1)CC[C@]21OC(=O)N(CC(=O)N2Cc3ccccc3CC[C@H]2C)C1=O |
Homo sapiens |
CHEMBL4325427 |
single protein format |
CHEMBL4171749 |
OBDepict
CH
3
O
N
N
H
O
O
CH
3
F
O
OH
N
N
H
3
C
|
IC50 |
= |
49.0 |
nM |
450.43 |
COc1ccc2c(c1)c(C(=O)Nc1cc(C(=O)O)cc(-c3cnn(C)c3)c1F)cn2C(C)=O |
Homo sapiens |
CHEMBL4148669 |
assay format |
CHEMBL3814752 |
OBDepict
O
NH
H
H
3
C
HN
N
N
H
3
C
N
N
CH
3
|
IC50 |
= |
51.0 |
nM |
386.46 |
C[C@@H]1CC(=O)Nc2cccc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2N1 |
Homo sapiens |
CHEMBL3817162 |
single protein format |
CHEMBL4282264 |
OBDepict
H
3
C
NH
N
H
O
O
O
N
O
N
O
CH
3
H
F
F
F
F
|
IC50 |
= |
60.0 |
nM |
536.48 |
CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(F)(F)F)C1=O |
Homo sapiens |
CHEMBL4269228 |
single protein format |
CHEMBL4582713 |
OBDepict
CH
3
HN
N
H
O
NH
O
N
O
N
O
H
O
F
|
IC50 |
= |
73.0 |
nM |
521.55 |
CNC(=O)Nc1ccc2c(c1)CC[C@@]21NC(=O)N(CC(=O)N2Cc3cc(F)ccc3OC[C@H]2C2CC2)C1=O |
Homo sapiens |
CHEMBL4325427 |
single protein format |
CHEMBL4639768 |
OBDepict
N
HN
H
O
N
N
N
N
H
3
C
|
IC50 |
= |
97.0 |
nM |
460.54 |
Cn1cc(-c2ccn3c(C(=O)[C@H](NCCc4ccc(C#N)cc4)c4ccccc4)cnc3c2)cn1 |
Homo sapiens |
CHEMBL4619245 |
assay format |
CHEMBL4636245 |
OBDepict
N
HN
H
N
H
O
N
N
CH
3
|
IC50 |
= |
120.0 |
nM |
435.53 |
Cn1cc(-c2ccc(NC(=O)[C@H](NCCc3ccc(C#N)cc3)c3ccccc3)cc2)cn1 |
Homo sapiens |
CHEMBL4619245 |
assay format |
CHEMBL4461759 |
OBDepict
O
N
N
S
O
OH
CH
3
F
F
F
H
3
C
|
IC50 |
= |
160.0 |
nM |
510.54 |
Cc1cc(-c2ccc(/C=C3C(=O)N(c4ccc(C(=O)O)cc4)N=C3C3CC3)s2)c(C(F)(F)F)cc1C |
Homo sapiens |
CHEMBL4361756 |
single protein format |
CHEMBL4515273 |
OBDepict
CH
3
N
N
O
O
O
OH
+
N
CH
3
O
_
O
H
3
C
|
IC50 |
= |
190.0 |
nM |
459.46 |
CCC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=Cc1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1 |
Homo sapiens |
CHEMBL4361756 |
single protein format |
CHEMBL4452725 |
OBDepict
O
N
N
O
O
OH
+
N
CH
3
O
_
O
H
3
C
|
IC50 |
= |
200.0 |
nM |
471.47 |
Cc1cc(-c2ccc(/C=C3C(=O)N(c4ccc(C(=O)O)cc4)N=C3C3CC3)o2)c([N+](=O)[O-])cc1C |
Homo sapiens |
CHEMBL4361756 |
single protein format |
CHEMBL3622373 |
OBDepict
H
3
C
O
Cl
N
N
N
CH
3
H
CH
3
N
H
3
C
O
O
|
IC50 |
= |
230.0 |
nM |
509.05 |
COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2C[C@H](C)N2CCOCC2)cc1Cl |
Homo sapiens |
CHEMBL4148669 |
assay format |
CHEMBL4449504 |
OBDepict
H
3
C
N
N
O
S
O
OH
+
N
H
3
C
O
_
O
H
3
C
|
IC50 |
= |
230.0 |
nM |
461.5 |
CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=Cc1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])s1 |
Homo sapiens |
CHEMBL4361756 |
single protein format |
CHEMBL3416552 |
OBDepict
CH
3
N
CH
3
O
CH
3
O
N
O
O
|
IC50 |
= |
260.0 |
nM |
402.45 |
CCN(CC)c1ccc2c(C)c(-c3ccc(N4C(=O)C=CC4=O)cc3)c(=O)oc2c1 |
Homo sapiens |
CHEMBL3419558 |
single protein format |
CHEMBL4436408 |
OBDepict
H
3
C
N
CH
3
O
N
CH
3
N
O
H
|
IC50 |
= |
270.0 |
nM |
295.34 |
CN(C)C(=O)c1cccc(-c2cn(C)c(=O)c3[nH]ccc23)c1 |
Homo sapiens |
CHEMBL4425871 |
assay format |
CHEMBL4436898 |
OBDepict
CH
3
N
N
O
O
O
OH
CH
3
F
F
F
CH
3
|
IC50 |
= |
290.0 |
nM |
468.43 |
CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=Cc1ccc(-c2cc(C)c(C)cc2C(F)(F)F)o1 |
Homo sapiens |
CHEMBL4361756 |
single protein format |
CHEMBL3734823 |
OBDepict
H
3
C
N
N
O
O
O
OH
+
N
H
3
C
O
_
O
H
3
C
|
IC50 |
= |
320.0 |
nM |
445.43 |
CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1 |
Homo sapiens |
CHEMBL3738206 |
single protein format |
CHEMBL1331211 |
OBDepict
HO
O
S
OH
HN
S
O
O
Br
|
IC50 |
= |
330.0 |
nM |
468.35 |
O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O |
Homo sapiens |
CHEMBL3419558 |
single protein format |
CHEMBL1797936 |
OBDepict
H
3
C
N
N
O
O
O
OH
+
N
H
3
C
O
_
O
H
3
C
|
Ki |
= |
400.0 |
nM |
445.43 |
CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=Cc1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1 |
Homo sapiens |
CHEMBL1798505 |
single protein format |
CHEMBL4208500 |
OBDepict
H
3
C
N
N
O
O
O
OH
+
N
H
3
C
O
_
O
H
3
C
|
Ki |
= |
400.0 |
nM |
445.43 |
CC1=NN(c2ccc(C(=O)O)cc2)C(=O)C1=Cc1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1 |
Homo sapiens |
CHEMBL4185505 |
assay format |
CHEMBL3734823 |
OBDepict
H
3
C
N
N
O
O
O
OH
+
N
H
3
C
O
_
O
H
3
C
|
Ki |
= |
400.0 |
nM |
445.43 |
CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1 |
Homo sapiens |
CHEMBL4192129 |
assay format |
CHEMBL4573224 |
OBDepict
_
O
S
O
O
CH
3
CH
3
O
O
H
3
C
+
N
O
O
H
3
C
CH
3
|
IC50 |
= |
420.0 |
nM |
461.54 |
COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CCC2.CS(=O)(=O)[O-] |
Homo sapiens |
CHEMBL4407052 |
single protein format |
CHEMBL4457203 |
OBDepict
_
O
S
O
O
CH
3
H
3
C
O
O
CH
3
+
N
O
CH
3
O
CH
3
|
IC50 |
= |
420.0 |
nM |
461.54 |
COc1cc2c(cc1OC)-c1cc3cc(OC)c(OC)cc3c[n+]1CCC2.CS(=O)(=O)[O-] |
Homo sapiens |
CHEMBL4733333 |
cell-based format |
CHEMBL4639561 |
OBDepict
N
HN
H
N
H
O
N
N
N
N
CH
3
|
IC50 |
= |
460.0 |
nM |
437.51 |
Cn1cc(-c2cnc(NC(=O)[C@H](NCCc3ccc(C#N)cc3)c3ccccc3)cn2)cn1 |
Homo sapiens |
CHEMBL4619245 |
assay format |
CHEMBL4448489 |
OBDepict
H
3
C
N
N
O
O
P
O
OH
OH
+
N
H
3
C
O
_
O
H
3
C
|
IC50 |
= |
470.0 |
nM |
481.4 |
CC1=NN(c2ccc(P(=O)(O)O)cc2)C(=O)/C1=Cc1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1 |
Homo sapiens |
CHEMBL4361756 |
single protein format |
CHEMBL2030281 |
OBDepict
H
N
N
N
S
OH
HN
S
O
O
|
IC50 |
= |
510.0 |
nM |
448.53 |
O=S(=O)(Nc1cc(Sc2ncn[nH]2)c(O)c2ccccc12)c1ccc2ccccc2c1 |
Homo sapiens |
CHEMBL3419558 |
single protein format |
CHEMBL4163872 |
OBDepict
CH
3
O
N
N
H
O
O
CH
3
O
OH
N
N
H
3
C
|
IC50 |
= |
510.0 |
nM |
432.44 |
COc1ccc2c(c1)c(C(=O)Nc1cc(C(=O)O)cc(-c3cnn(C)c3)c1)cn2C(C)=O |
Homo sapiens |
CHEMBL4148669 |
assay format |
CHEMBL4636484 |
OBDepict
N
NH
H
O
N
N
CH
3
N
N
CH
3
|
IC50 |
= |
520.0 |
nM |
474.57 |
Cc1nc(C(=O)[C@H](NCCc2ccc(C#N)cc2)c2ccccc2)c2ccc(-c3cnn(C)c3)cn12 |
Homo sapiens |
CHEMBL4619245 |
assay format |
CHEMBL4452893 |
OBDepict
CH
3
N
N
O
O
O
OH
+
N
O
_
O
|
IC50 |
= |
560.0 |
nM |
417.38 |
CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 |
Homo sapiens |
CHEMBL4361756 |
single protein format |
CHEMBL4648100 |
OBDepict
N
HN
O
N
N
H
N
N
CH
3
|
IC50 |
= |
570.0 |
nM |
460.54 |
Cn1cc(-c2ccc3c(C(=O)C(NCCc4ccc(C#N)cc4)c4ccccc4)n[nH]c3c2)cn1 |
Homo sapiens |
CHEMBL4619245 |
assay format |
CHEMBL4474848 |
OBDepict
H
3
C
N
N
O
O
O
OH
O
|
IC50 |
= |
580.0 |
nM |
426.43 |
CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=Cc1ccc(-c2cccc3c2C(=O)CC3)o1 |
Homo sapiens |
CHEMBL4361756 |
single protein format |
CHEMBL4752387 |
OBDepict
H
3
C
O
O
H
H
OH
H
H
H
N
N
H
O
H
3
C
|
IC50 |
= |
580.0 |
nM |
384.48 |
COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cccc(OC)c5c4CCN3C[C@H]2CC[C@H]1O |
Homo sapiens |
CHEMBL4733333 |
cell-based format |
CHEMBL4474132 |
OBDepict
H
3
C
H
3
C
CH
3
S
N
H
CH
3
CH
3
CH
3
HN
|
IC50 |
= |
620.0 |
nM |
474.76 |
CC(C)(C)c1ccc(-c2cc(CNCC3CCNCC3)sc2-c2ccc(C(C)(C)C)cc2)cc1 |
Homo sapiens |
CHEMBL4346049 |
cell-based format |
CHEMBL2031566 |
OBDepict
HO
O
S
OH
HN
S
O
O
O
HO
|
IC50 |
= |
660.0 |
nM |
433.46 |
O=C(O)CSc1cc(NS(=O)(=O)c2ccc(C(=O)O)cc2)c2ccccc2c1O |
Homo sapiens |
CHEMBL3419558 |
single protein format |
CHEMBL4526489 |
OBDepict
H
N
N
N
N
N
N
O
CH
3
O
+
N
CH
3
O
_
O
H
3
C
|
IC50 |
= |
670.0 |
nM |
469.46 |
CC1=NN(c2ccc(-c3nn[nH]n3)cc2)C(=O)/C1=Cc1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1 |
Homo sapiens |
CHEMBL4361756 |
single protein format |
CHEMBL4759868 |
OBDepict
CH
3
O
O
H
3
C
N
H
HO
HO
|
IC50 |
= |
690.0 |
nM |
327.38 |
COc1cc2c(cc1OC)C1Cc3cc(O)c(O)cc3NC1CC2 |
Homo sapiens |
CHEMBL4733333 |
cell-based format |
CHEMBL4277102 |
OBDepict
S
N
H
N
O
O
Cl
CH
3
O
|
IC50 |
= |
700.0 |
nM |
372.83 |
Cc1ccc(N2C(=O)/C(=CC=Cc3ccco3)C(=O)NC2=S)cc1Cl |
Homo sapiens |
CHEMBL4269181 |
single protein format |
CHEMBL4520444 |
OBDepict
S
N
H
N
O
O
Cl
CH
3
O
|
IC50 |
= |
700.0 |
nM |
372.83 |
Cc1ccc(N2C(=O)/C(=C/C=C/c3ccco3)C(=O)NC2=S)cc1Cl |
Homo sapiens |
CHEMBL4325424 |
single protein format |
CHEMBL4579084 |
OBDepict
H
3
C
OH
H
O
H
O
HO
|
IC50 |
= |
750.0 |
nM |
334.46 |
CCCCC[C@H](O)C/C=C1/C(=O)C=C[C@@H]1C/C=C/CCCC(=O)O |
Homo sapiens |
CHEMBL4407040 |
single protein format |
CHEMBL4642909 |
OBDepict
N
HN
H
N
H
O
N
N
N
N
CH
3
|
IC50 |
= |
770.0 |
nM |
437.51 |
Cn1cc(-c2ccc(NC(=O)[C@H](NCCc3ccc(C#N)cc3)c3ccccc3)nn2)cn1 |
Homo sapiens |
CHEMBL4619245 |
assay format |
CHEMBL4449804 |
OBDepict
H
3
C
N
N
O
S
N
O
OH
+
N
H
3
C
O
_
O
H
3
C
|
IC50 |
= |
860.0 |
nM |
462.49 |
CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=Cc1cnc(-c2cc(C)c(C)cc2[N+](=O)[O-])s1 |
Homo sapiens |
CHEMBL4361756 |
single protein format |
CHEMBL4159164 |
OBDepict
HO
O
N
H
O
O
N
O
CH
3
|
IC50 |
= |
970.0 |
nM |
388.38 |
CC(=O)n1cc(C(=O)Nc2cc(C(=O)O)cc(-c3ccco3)c2)c2ccccc21 |
Homo sapiens |
CHEMBL4148669 |
assay format |
CHEMBL1797936 |
OBDepict
H
3
C
N
N
O
O
O
OH
+
N
H
3
C
O
_
O
H
3
C
|
IC50 |
= |
1000.0 |
nM |
445.43 |
CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=Cc1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1 |
Homo sapiens |
CHEMBL3803992 |
single protein format |
CHEMBL3416536 |
OBDepict
HO
O
S
OH
HN
S
O
O
Br
|
IC50 |
= |
1000.0 |
nM |
482.38 |
O=C(O)CCSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O |
Homo sapiens |
CHEMBL3419558 |
single protein format |