molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3099689 |
|
IC50 |
< |
0.1 |
nM |
395.82 |
N#Cc1ccc([C@@]2(C(=O)OCc3ccc(F)cc3)CCc3cncn32)c(Cl)c1 |
Homo sapiens |
CHEMBL3101040 |
cell-based format |
CHEMBL3099704 |
OBDepict
N
H
N
N
F
|
IC50 |
= |
0.3 |
nM |
331.39 |
N#Cc1ccc([C@H]2CCCCc3cncn32)c(-c2ccc(F)cc2)c1 |
Homo sapiens |
CHEMBL3101040 |
cell-based format |
CHEMBL2333326 |
OBDepict
Cl
O
O
N
N
|
IC50 |
= |
0.5 |
nM |
310.74 |
O=c1c2ccccc2oc2c(Cl)ccc(Cn3ccnc3)c12 |
Homo sapiens |
CHEMBL2340955 |
cell-based format |
CHEMBL23731 |
OBDepict
H
3
C
O
O
N
N
CH
3
|
IC50 |
= |
0.5 |
nM |
244.29 |
CCOC(=O)c1cncn1C(C)c1ccccc1 |
Homo sapiens |
CHEMBL3888752 |
cell-based format |
CHEMBL681 |
OBDepict
H
3
C
O
O
N
N
CH
3
H
|
IC50 |
= |
0.5 |
nM |
244.29 |
CCOC(=O)c1cncn1[C@H](C)c1ccccc1 |
Homo sapiens |
CHEMBL1072073 |
cell-based format |
CHEMBL4281975 |
OBDepict
CH
3
O
N
N
F
|
IC50 |
= |
0.8 |
nM |
294.33 |
COc1cncc(Cc2ccc(-c3ccccc3F)nc2)c1 |
Homo sapiens |
CHEMBL4253027 |
cell-based format |
CHEMBL4068439 |
OBDepict
CH
3
N
N
CH
3
N
|
IC50 |
= |
1.0 |
nM |
263.34 |
Cc1cncc(Cc2cc(-c3ccccc3)nn2C)c1 |
Homo sapiens |
CHEMBL4016908 |
cell-based format |
CHEMBL4093884 |
OBDepict
CH
3
N
S
N
|
IC50 |
= |
1.0 |
nM |
266.37 |
Cc1cncc(Cc2cc(-c3ccccc3)ns2)c1 |
Homo sapiens |
CHEMBL4016908 |
cell-based format |
CHEMBL2417616 |
OBDepict
N
N
|
IC50 |
= |
1.3 |
nM |
322.41 |
c1ccc(-c2cncc(Cc3ccc(-c4ccccc4)nc3)c2)cc1 |
Homo sapiens |
CHEMBL2423499 |
cell-based format |
CHEMBL2163638 |
OBDepict
O
N
N
H
3
C
CH
3
N
|
IC50 |
= |
1.4 |
nM |
295.39 |
CC(C)C(c1cc2c3c(c1)CCN3C(=O)CC2)n1ccnc1 |
Homo sapiens |
CHEMBL2169296 |
cell-based format |
CHEMBL4279912 |
OBDepict
F
N
N
N
O
CH
3
|
IC50 |
= |
1.4 |
nM |
403.5 |
CC(=O)N1CCN(c2ccc(CCc3cc(F)cc(-c4ccncc4)c3)cc2)CC1 |
Homo sapiens |
CHEMBL4257177 |
cell-based format |
CHEMBL3099696 |
OBDepict
N
H
3
C
H
N
N
|
IC50 |
= |
1.5 |
nM |
223.28 |
Cc1cc(C#N)ccc1[C@H]1CCc2cncn21 |
Homo sapiens |
CHEMBL3101040 |
cell-based format |
CHEMBL1209775 |
OBDepict
N
N
O
N
N
|
IC50 |
= |
2.0 |
nM |
328.38 |
N#Cc1ccc(C2C(=O)N(Cc3ccccc3)Cc3cncn32)cc1 |
Homo sapiens |
CHEMBL1211864 |
cell-based format |
CHEMBL2417553 |
OBDepict
CH
3
N
N
|
IC50 |
= |
2.0 |
nM |
260.34 |
Cc1cncc(Cc2ccc(-c3ccccc3)nc2)c1 |
Homo sapiens |
CHEMBL2423499 |
cell-based format |
CHEMBL3421769 |
OBDepict
_
O
+
N
O
O
N
|
IC50 |
= |
2.0 |
nM |
320.35 |
O=[N+]([O-])c1ccc(-c2ccncc2)c(OCCc2ccccc2)c1 |
Homo sapiens |
CHEMBL3424479 |
assay format |
CHEMBL4097298 |
OBDepict
H
3
C
O
N
O
N
|
IC50 |
= |
2.0 |
nM |
266.3 |
COc1cncc(Cc2cc(-c3ccccc3)no2)c1 |
Homo sapiens |
CHEMBL4016908 |
cell-based format |
CHEMBL4079408 |
OBDepict
CH
3
N
N
S
O
O
F
|
IC50 |
= |
2.0 |
nM |
342.4 |
Cc1cncc(Cc2ccc(S(=O)(=O)c3ccccc3F)nc2)c1 |
Homo sapiens |
CHEMBL4016908 |
cell-based format |
CHEMBL4096366 |
OBDepict
CH
3
N
N
HN
S
O
O
H
3
C
|
IC50 |
= |
2.0 |
nM |
353.45 |
Cc1cncc(Cc2ccc(-c3cccc(NS(C)(=O)=O)c3)nc2)c1 |
Homo sapiens |
CHEMBL4016908 |
cell-based format |
CHEMBL3099695 |
OBDepict
N
F
H
N
N
|
IC50 |
= |
2.5 |
nM |
227.24 |
N#Cc1ccc([C@H]2CCc3cncn32)c(F)c1 |
Homo sapiens |
CHEMBL3101040 |
cell-based format |
CHEMBL1651507 |
OBDepict
N
N
|
IC50 |
= |
3.0 |
nM |
310.4 |
c1ccc(C(c2ccccc2)(c2ccccc2)n2ccnc2)cc1 |
Homo sapiens |
CHEMBL1656352 |
cell-based format |
CHEMBL4103666 |
OBDepict
CH
3
N
N
S
F
|
IC50 |
= |
3.0 |
nM |
310.4 |
Cc1cncc(Cc2ccc(Sc3ccccc3F)nc2)c1 |
Homo sapiens |
CHEMBL4016908 |
cell-based format |
CHEMBL4067404 |
OBDepict
CH
3
N
N
F
|
IC50 |
= |
3.0 |
nM |
278.33 |
Cc1cncc(Cc2ccc(-c3ccccc3F)nc2)c1 |
Homo sapiens |
CHEMBL4016908 |
cell-based format |
CHEMBL367719 |
OBDepict
H
N
N
|
IC50 |
= |
3.3 |
nM |
210.28 |
C(=C1/CCCc2ccccc21)c1c[nH]cn1 |
Homo sapiens |
CHEMBL831482 |
cell-based format |
CHEMBL2163640 |
OBDepict
O
N
N
N
|
IC50 |
= |
3.4 |
nM |
307.4 |
O=C1CCc2cc(C(C3CCC3)n3ccnc3)cc3c2N1CC3 |
Homo sapiens |
CHEMBL2169296 |
cell-based format |
CHEMBL4292267 |
OBDepict
N
S
N
O
O
N
Cl
N
N
|
IC50 |
= |
4.0 |
nM |
544.08 |
N#Cc1cccc(S(=O)(=O)N2CCN(c3ccc(/C=C/c4cc(Cl)cc(Cn5ccnc5)c4)cc3)CC2)c1 |
Homo sapiens |
CHEMBL4257177 |
cell-based format |
CHEMBL4283190 |
OBDepict
N
N
O
N
Cl
N
N
|
IC50 |
= |
4.0 |
nM |
508.03 |
N#Cc1cccc(C(=O)N2CCN(c3ccc(/C=C/c4cc(Cl)cc(Cn5ccnc5)c4)cc3)CC2)c1 |
Homo sapiens |
CHEMBL4257177 |
cell-based format |
CHEMBL1651508 |
OBDepict
N
N
|
IC50 |
= |
4.0 |
nM |
324.43 |
c1ccc(C(Cn2ccnc2)(c2ccccc2)c2ccccc2)cc1 |
Homo sapiens |
CHEMBL1656352 |
cell-based format |
CHEMBL2312967 |
OBDepict
CH
3
N
N
O
|
IC50 |
= |
4.0 |
nM |
278.36 |
CC(c1cccnc1)c1cc2c3c(c1)CCN3C(=O)CC2 |
Homo sapiens |
CHEMBL2321524 |
cell-based format |
CHEMBL4293550 |
OBDepict
Cl
N
N
N
N
O
+
N
O
_
O
|
IC50 |
= |
4.0 |
nM |
528.01 |
O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2ccc(/C=C/c3cc(Cl)cc(Cn4ccnc4)c3)cc2)CC1 |
Homo sapiens |
CHEMBL4257177 |
cell-based format |
CHEMBL4128621 |
OBDepict
Cl
N
N
N
N
S
O
O
N
|
IC50 |
= |
4.0 |
nM |
520.06 |
O=S(=O)(c1cccnc1)N1CCN(c2ccc(/C=C/c3cc(Cl)cc(Cn4ccnc4)c3)cc2)CC1 |
Homo sapiens |
CHEMBL4257177 |
cell-based format |
CHEMBL4287787 |
OBDepict
Cl
N
N
N
N
S
O
O
+
N
O
_
O
|
IC50 |
= |
4.0 |
nM |
564.07 |
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(c3ccc(/C=C/c4cc(Cl)cc(Cn5ccnc5)c4)cc3)CC2)c1 |
Homo sapiens |
CHEMBL4257177 |
cell-based format |
CHEMBL4078318 |
OBDepict
CH
3
N
N
O
|
IC50 |
= |
4.0 |
nM |
250.3 |
Cc1cncc(Cc2ccc(-c3ccoc3)nc2)c1 |
Homo sapiens |
CHEMBL4016908 |
cell-based format |
CHEMBL4059931 |
OBDepict
CH
3
N
N
N
H
|
IC50 |
= |
4.0 |
nM |
239.32 |
Cc1cncc(Cc2ccc(NC3CC3)nc2)c1 |
Homo sapiens |
CHEMBL4016908 |
cell-based format |
CHEMBL4207323 |
OBDepict
CH
3
O
CH
3
O
O
N
N
|
IC50 |
= |
4.1 |
nM |
334.38 |
CC(C)Oc1ccc2c(=O)c3ccc(Cn4ccnc4)cc3oc2c1 |
Homo sapiens |
CHEMBL4193319 |
cell-based format |
CHEMBL3397607 |
OBDepict
O
NH
N
H
N
|
IC50 |
= |
4.5 |
nM |
275.31 |
O=C1NCc2cc(-c3cncc4ccccc34)ccc2N1 |
Homo sapiens |
CHEMBL3399803 |
cell-based format |
CHEMBL4203608 |
OBDepict
O
O
O
N
N
|
IC50 |
= |
4.7 |
nM |
346.39 |
O=c1c2ccc(Cn3ccnc3)cc2oc2cc(OCC3CC3)ccc12 |
Homo sapiens |
CHEMBL4193319 |
cell-based format |
CHEMBL463582 |
OBDepict
N
N
|
IC50 |
= |
4.8 |
nM |
234.3 |
c1ccc(Cn2cncc2-c2ccccc2)cc1 |
Homo sapiens |
CHEMBL1072073 |
cell-based format |
CHEMBL4294598 |
OBDepict
Cl
N
N
N
N
O
N
|
IC50 |
= |
4.9 |
nM |
484.0 |
O=C(c1cccnc1)N1CCN(c2ccc(/C=C/c3cc(Cl)cc(Cn4ccnc4)c3)cc2)CC1 |
Homo sapiens |
CHEMBL4257177 |
cell-based format |
CHEMBL1688894 |
OBDepict
O
O
N
O
N
O
F
F
F
|
IC50 |
= |
5.0 |
nM |
416.36 |
O=c1cc(Cn2ccnc2)c2ccc(OCc3cccc(OC(F)(F)F)c3)cc2o1 |
Homo sapiens |
CHEMBL3385623 |
cell-based format |
CHEMBL2417614 |
OBDepict
CH
3
O
N
N
|
IC50 |
= |
5.0 |
nM |
276.34 |
COc1cncc(Cc2ccc(-c3ccccc3)nc2)c1 |
Homo sapiens |
CHEMBL2423499 |
cell-based format |
CHEMBL3337695 |
OBDepict
H
3
C
O
S
N
O
O
N
|
IC50 |
= |
5.0 |
nM |
394.5 |
COc1cccc(S(=O)(=O)N2CCCc3cc(Cc4cccnc4)ccc32)c1 |
Homo sapiens |
CHEMBL3388878 |
cell-based format |
CHEMBL4095910 |
OBDepict
CH
3
N
N
S
|
IC50 |
= |
5.0 |
nM |
292.41 |
Cc1cncc(Cc2ccc(Sc3ccccc3)nc2)c1 |
Homo sapiens |
CHEMBL4016908 |
cell-based format |
CHEMBL1651505 |
OBDepict
N
N
|
IC50 |
= |
5.0 |
nM |
216.33 |
c1cn(CC23CC4CC(CC(C4)C2)C3)cn1 |
Homo sapiens |
CHEMBL1656352 |
cell-based format |
CHEMBL1651495 |
OBDepict
CH
3
CH
3
N
H
3
C
CH
3
CH
3
N
|
IC50 |
= |
5.0 |
nM |
228.34 |
Cc1c(C)c(C)c(Cn2ccnc2)c(C)c1C |
Homo sapiens |
CHEMBL1656352 |
cell-based format |
CHEMBL4079276 |
OBDepict
CH
3
N
O
N
|
IC50 |
= |
5.0 |
nM |
250.3 |
Cc1cncc(Cc2cc(-c3ccccc3)no2)c1 |
Homo sapiens |
CHEMBL4016908 |
cell-based format |
CHEMBL4127378 |
OBDepict
F
N
N
N
N
S
O
O
H
3
C
CH
3
|
IC50 |
= |
5.0 |
nM |
468.6 |
CC(C)S(=O)(=O)N1CCN(c2ccc(/C=C/c3cc(F)cc(Cn4ccnc4)c3)cc2)CC1 |
Homo sapiens |
CHEMBL4257177 |
cell-based format |
CHEMBL2333334 |
OBDepict
O
O
N
O
N
|
IC50 |
= |
5.5 |
nM |
346.39 |
O=c1c2ccccc2oc2c(OCC3CC3)ccc(Cn3ccnc3)c12 |
Homo sapiens |
CHEMBL2340955 |
cell-based format |
CHEMBL610513 |
OBDepict
N
N
N
CH
3
|
IC50 |
= |
5.7 |
nM |
273.34 |
Cc1ccccc1-c1cncn1Cc1ccc(C#N)cc1 |
Homo sapiens |
CHEMBL1072073 |
cell-based format |
CHEMBL4216471 |
OBDepict
O
O
O
N
N
|
IC50 |
= |
5.8 |
nM |
360.41 |
O=c1c2ccc(Cn3ccnc3)cc2oc2cc(OC3CCCC3)ccc12 |
Homo sapiens |
CHEMBL4193319 |
cell-based format |
CHEMBL3337694 |
OBDepict
H
3
C
O
S
N
O
O
N
|
IC50 |
= |
6.0 |
nM |
394.5 |
COc1cccc(S(=O)(=O)N2CCCc3cc(Cc4ccncc4)ccc32)c1 |
Homo sapiens |
CHEMBL3388878 |
cell-based format |
CHEMBL3421767 |
OBDepict
_
O
+
N
O
O
N
|
IC50 |
= |
6.0 |
nM |
334.38 |
O=[N+]([O-])c1ccc(-c2cccnc2)c(OCCCc2ccccc2)c1 |
Homo sapiens |
CHEMBL3424479 |
assay format |
CHEMBL2417635 |
OBDepict
N
N
|
IC50 |
= |
6.0 |
nM |
296.37 |
c1ccc(-c2ccc(Cc3cncc4ccccc34)cn2)cc1 |
Homo sapiens |
CHEMBL2423499 |
cell-based format |
CHEMBL3421786 |
OBDepict
_
O
+
N
O
O
N
|
IC50 |
= |
6.0 |
nM |
334.38 |
O=[N+]([O-])c1ccc(Cc2ccncc2)c(OCCc2ccccc2)c1 |
Homo sapiens |
CHEMBL3424479 |
assay format |
CHEMBL178036 |
OBDepict
H
N
N
|
IC50 |
= |
6.1 |
nM |
196.25 |
C(=C1/CCc2ccccc21)c1c[nH]cn1 |
Homo sapiens |
CHEMBL831482 |
cell-based format |
CHEMBL607862 |
OBDepict
N
N
N
CH
3
|
IC50 |
= |
6.2 |
nM |
273.34 |
Cc1cccc(-c2cncn2Cc2ccc(C#N)cc2)c1 |
Homo sapiens |
CHEMBL1072073 |
cell-based format |
CHEMBL4206710 |
OBDepict
O
O
O
N
N
|
IC50 |
= |
6.5 |
nM |
368.39 |
O=c1c2ccc(Cn3ccnc3)cc2oc2cc(Oc3ccccc3)ccc12 |
Homo sapiens |
CHEMBL4193319 |
cell-based format |
CHEMBL2163637 |
OBDepict
H
3
C
N
N
N
O
|
IC50 |
= |
6.5 |
nM |
281.36 |
CCC(c1cc2c3c(c1)CCN3C(=O)CC2)n1ccnc1 |
Homo sapiens |
CHEMBL2169296 |
cell-based format |
CHEMBL4209612 |
OBDepict
Cl
O
O
N
N
|
IC50 |
= |
6.6 |
nM |
310.74 |
O=c1c2ccc(Cl)cc2oc2cc(Cn3ccnc3)ccc12 |
Homo sapiens |
CHEMBL4193319 |
cell-based format |
CHEMBL78322 |
OBDepict
Br
O
O
N
N
|
IC50 |
= |
6.7 |
nM |
355.19 |
O=c1c2ccccc2oc2c(Br)ccc(Cn3ccnc3)c12 |
Homo sapiens |
CHEMBL2340955 |
cell-based format |
CHEMBL367483 |
OBDepict
N
N
N
H
|
IC50 |
= |
6.9 |
nM |
235.29 |
N#Cc1ccc2c(c1)CCC/C2=C/c1c[nH]cn1 |
Homo sapiens |
CHEMBL831482 |
cell-based format |
CHEMBL451505 |
OBDepict
O
N
CH
3
N
|
IC50 |
= |
6.9 |
nM |
288.35 |
CN1C(=O)CCc2cc(-c3cncc4ccccc34)ccc21 |
Homo sapiens |
CHEMBL989836 |
cell-based format |
CHEMBL4279727 |
OBDepict
N
N
N
Cl
N
N
|
IC50 |
= |
7.0 |
nM |
494.04 |
N#Cc1cccc(CN2CCN(c3ccc(/C=C/c4cc(Cl)cc(Cn5ccnc5)c4)cc3)CC2)c1 |
Homo sapiens |
CHEMBL4257177 |
cell-based format |
CHEMBL4127240 |
OBDepict
Cl
N
N
N
N
S
O
O
N
N
H
|
IC50 |
= |
7.0 |
nM |
509.04 |
O=S(=O)(c1c[nH]cn1)N1CCN(c2ccc(/C=C/c3cc(Cl)cc(Cn4ccnc4)c3)cc2)CC1 |
Homo sapiens |
CHEMBL4257177 |
cell-based format |
CHEMBL212473 |
OBDepict
CH
3
O
O
N
O
N
|
IC50 |
= |
7.0 |
nM |
332.36 |
COc1ccc(-c2oc3ccccc3c(=O)c2Cn2ccnc2)cc1 |
Homo sapiens |
CHEMBL971587 |
cell-based format |
CHEMBL597173 |
OBDepict
Br
N
N
|
IC50 |
= |
7.0 |
nM |
313.2 |
Brc1ccc(Cn2cncc2-c2ccccc2)cc1 |
Homo sapiens |
CHEMBL1072073 |
cell-based format |
CHEMBL3099683 |
OBDepict
N
F
H
N
N
|
IC50 |
= |
7.2 |
nM |
255.3 |
N#Cc1ccc([C@H]2CCCCc3cncn32)c(F)c1 |
Homo sapiens |
CHEMBL3101040 |
cell-based format |
CHEMBL3421770 |
OBDepict
_
O
+
N
O
O
N
|
IC50 |
= |
8.0 |
nM |
334.38 |
O=[N+]([O-])c1ccc(-c2ccncc2)c(OCCCc2ccccc2)c1 |
Homo sapiens |
CHEMBL3424479 |
assay format |
CHEMBL2417637 |
OBDepict
CH
3
N
N
|
IC50 |
= |
8.0 |
nM |
260.34 |
Cc1ccncc1Cc1ccc(-c2ccccc2)nc1 |
Homo sapiens |
CHEMBL2423499 |
cell-based format |
CHEMBL4070031 |
OBDepict
CH
3
N
S
N
|
IC50 |
= |
9.0 |
nM |
266.37 |
Cc1cncc(Cc2cnc(-c3ccccc3)s2)c1 |
Homo sapiens |
CHEMBL4016908 |
cell-based format |
CHEMBL3793576 |
OBDepict
F
O
O
N
N
H
|
IC50 |
= |
9.7 |
nM |
244.22 |
O=c1c(Cc2c[nH]cn2)coc2cc(F)ccc12 |
Homo sapiens |
CHEMBL3795160 |
cell-based format |
CHEMBL9298 |
OBDepict
N
N
N
|
IC50 |
= |
9.7 |
nM |
223.28 |
N#Cc1ccc(C2CCCc3cncn32)cc1 |
Homo sapiens |
CHEMBL831482 |
cell-based format |
CHEMBL500392 |
OBDepict
CH
3
O
N
O
H
3
C
H
3
C
|
IC50 |
= |
10.0 |
nM |
293.37 |
COc1ccc2cc(-c3cncc(C(C)OC)c3)ccc2c1 |
Homo sapiens |
CHEMBL1002228 |
cell-based format |
CHEMBL2163639 |
OBDepict
O
N
N
N
|
IC50 |
= |
10.3 |
nM |
293.37 |
O=C1CCc2cc(C(C3CC3)n3ccnc3)cc3c2N1CC3 |
Homo sapiens |
CHEMBL2169296 |
cell-based format |
CHEMBL591697 |
OBDepict
H
3
C
O
N
N
|
IC50 |
= |
11.0 |
nM |
264.33 |
COc1ccc(Cn2cncc2-c2ccccc2)cc1 |
Homo sapiens |
CHEMBL1072073 |
cell-based format |
CHEMBL2417626 |
OBDepict
S
N
N
N
|
IC50 |
= |
11.0 |
nM |
281.38 |
c1cn(C(c2ccc(-c3ccsc3)nc2)C2CC2)cn1 |
Homo sapiens |
CHEMBL2423499 |
cell-based format |
CHEMBL4279416 |
OBDepict
Cl
N
N
N
N
|
IC50 |
= |
11.0 |
nM |
433.0 |
Clc1cc(/C=C/c2ccc(N3CCN(CC4CC4)CC3)cc2)cc(Cn2ccnc2)c1 |
Homo sapiens |
CHEMBL4257177 |
cell-based format |
CHEMBL179247 |
OBDepict
F
N
N
H
|
IC50 |
= |
11.17 |
nM |
214.24 |
Fc1ccc2c(c1)CC/C2=C/c1c[nH]cn1 |
Homo sapiens |
CHEMBL831482 |
cell-based format |
CHEMBL4214521 |
OBDepict
Br
O
O
N
N
|
IC50 |
= |
11.4 |
nM |
355.19 |
O=c1c2ccc(Br)cc2oc2cc(Cn3ccnc3)ccc12 |
Homo sapiens |
CHEMBL4193319 |
cell-based format |
CHEMBL213587 |
OBDepict
O
N
O
N
|
IC50 |
= |
12.0 |
nM |
302.33 |
O=c1c(Cn2ccnc2)c(-c2ccccc2)oc2ccccc12 |
Homo sapiens |
CHEMBL971587 |
cell-based format |
CHEMBL2417622 |
OBDepict
CH
3
H
3
C
N
N
N
|
IC50 |
= |
12.0 |
nM |
277.37 |
CC(C)C(c1ccc(-c2ccccc2)nc1)n1ccnc1 |
Homo sapiens |
CHEMBL2423499 |
cell-based format |
CHEMBL3421780 |
OBDepict
N
O
N
|
IC50 |
= |
12.0 |
nM |
300.36 |
N#Cc1ccc(-c2ccncc2)c(OCCc2ccccc2)c1 |
Homo sapiens |
CHEMBL3424479 |
assay format |
CHEMBL597577 |
OBDepict
OH
N
N
O
CH
3
|
IC50 |
= |
12.0 |
nM |
246.31 |
COc1ccc(Cn2cncc2CCCO)cc1 |
Homo sapiens |
CHEMBL1072073 |
cell-based format |
CHEMBL4289930 |
OBDepict
Cl
Cl
O
O
N
H
O
N
N
N
O
CH
3
|
IC50 |
= |
12.0 |
nM |
545.47 |
CC(=O)N1CCN(c2ccc(CO[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)OC3)cc2)CC1 |
Homo sapiens |
CHEMBL4257191 |
cell-based format |
CHEMBL4288652 |
OBDepict
Cl
Cl
O
O
N
H
O
N
N
N
O
CH
3
|
IC50 |
= |
12.0 |
nM |
545.47 |
CC(=O)N1CCN(c2ccc(CO[C@H]3CO[C@@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)OC3)cc2)CC1 |
Homo sapiens |
CHEMBL4257191 |
cell-based format |
CHEMBL175091 |
OBDepict
N
N
N
H
|
IC50 |
= |
12.3 |
nM |
221.26 |
N#Cc1ccc2c(c1)CC/C2=C/c1ncc[nH]1 |
Homo sapiens |
CHEMBL831482 |
cell-based format |
CHEMBL4218934 |
OBDepict
F
O
O
N
N
|
IC50 |
= |
12.3 |
nM |
294.29 |
O=c1c2ccc(F)cc2oc2cc(Cn3ccnc3)ccc12 |
Homo sapiens |
CHEMBL4193319 |
cell-based format |
CHEMBL4286077 |
OBDepict
Cl
S
N
O
O
N
Cl
N
N
|
IC50 |
= |
13.0 |
nM |
519.5 |
O=S(=O)(CCCCl)N1CCN(c2ccc(/C=C/c3cc(Cl)cc(Cn4ccnc4)c3)cc2)CC1 |
Homo sapiens |
CHEMBL4257177 |
cell-based format |
CHEMBL2163651 |
OBDepict
O
N
N
S
N
|
IC50 |
= |
13.0 |
nM |
335.43 |
O=C1CCc2cc(C(c3cccs3)n3ccnc3)cc3c2N1CC3 |
Homo sapiens |
CHEMBL2169296 |
cell-based format |
CHEMBL1765214 |
OBDepict
O
N
N
|
IC50 |
= |
13.0 |
nM |
300.36 |
O=C1CCc2cc(-c3cncc4ccccc34)cc3c2N1CC3 |
Homo sapiens |
CHEMBL1768364 |
cell-based format |
CHEMBL3421766 |
OBDepict
_
O
+
N
O
O
N
|
IC50 |
= |
13.0 |
nM |
320.35 |
O=[N+]([O-])c1ccc(-c2cccnc2)c(OCCc2ccccc2)c1 |
Homo sapiens |
CHEMBL3424479 |
assay format |
CHEMBL2333333 |
OBDepict
CH
3
O
H
3
C
O
O
N
N
|
IC50 |
= |
13.1 |
nM |
348.4 |
CCC(C)Oc1ccc(Cn2ccnc2)c2c(=O)c3ccccc3oc12 |
Homo sapiens |
CHEMBL2340955 |
cell-based format |
CHEMBL442373 |
OBDepict
N
O
O
N
N
|
IC50 |
= |
13.4 |
nM |
301.31 |
N#Cc1ccc(Cn2ccnc2)c2c(=O)c3ccccc3oc12 |
Homo sapiens |
CHEMBL2340955 |
cell-based format |
CHEMBL4097224 |
OBDepict
CH
3
N
O
N
|
IC50 |
= |
14.0 |
nM |
250.3 |
Cc1cncc(Cc2cnc(-c3ccccc3)o2)c1 |
Homo sapiens |
CHEMBL4016908 |
cell-based format |
CHEMBL4072324 |
OBDepict
N
S
N
N
|
IC50 |
= |
14.0 |
nM |
241.32 |
c1ccc(-c2cc(Cn3ccnc3)sn2)cc1 |
Homo sapiens |
CHEMBL4016908 |
cell-based format |
CHEMBL934 |
OBDepict
O
H
3
C
CH
3
N
N
|
IC50 |
= |
14.6 |
nM |
226.28 |
CC(C)(C(=O)c1cccnc1)c1cccnc1 |
Homo sapiens |
CHEMBL1646713 |
cell-based format |
CHEMBL305220 |
OBDepict
H
2
N
S
H
O
O
N
N
Cl
|
Ki |
= |
15.0 |
nM |
429.97 |
Nc1ccc(SC[C@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 |
Homo sapiens |
CHEMBL822873 |
single protein format |
CHEMBL3397605 |
OBDepict
O
O
NH
N
|
IC50 |
= |
15.0 |
nM |
276.3 |
O=C1Nc2ccc(-c3cncc4ccccc34)cc2CO1 |
Homo sapiens |
CHEMBL3399803 |
cell-based format |
CHEMBL3359961 |
OBDepict
O
N
N
O
O
F
F
F
|
IC50 |
= |
15.0 |
nM |
376.33 |
O=C(Cn1ccnc1)c1ccc(OCc2cccc(OC(F)(F)F)c2)cc1 |
Homo sapiens |
CHEMBL3385623 |
cell-based format |
CHEMBL500146 |
OBDepict
CH
3
O
N
O
O
CH
3
|
IC50 |
= |
15.0 |
nM |
293.32 |
COC(=O)c1cncc(-c2ccc3cc(OC)ccc3c2)c1 |
Homo sapiens |
CHEMBL1002228 |
cell-based format |
CHEMBL177921 |
OBDepict
N
N
N
H
|
IC50 |
= |
15.0 |
nM |
221.26 |
N#Cc1ccc2c(c1)CC/C2=Cc1c[nH]cn1 |
Homo sapiens |
CHEMBL831482 |
cell-based format |