molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3675744 |
|
IC50 |
= |
5.0 |
nM |
430.56 |
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(-c2nnc([C@H]3CC[C@H](N)CC3)o2)cc1 |
Homo sapiens |
CHEMBL3705172 |
assay format |
CHEMBL3670942 |
OBDepict
CH
3
N
N
N
CH
3
H
3
C
N
N
H
H
3
C
N
H
3
C
CH
3
|
IC50 |
= |
7.0 |
nM |
460.67 |
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/CN2CCN(C)[C@@H](CN(C)C)C2)cc1 |
Homo sapiens |
CHEMBL3705172 |
assay format |
CHEMBL3675724 |
OBDepict
CH
3
N
N
N
CH
3
H
3
C
N
HN
|
IC50 |
= |
10.0 |
nM |
389.55 |
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/CN2CCNCC2)cc1 |
Homo sapiens |
CHEMBL3705172 |
assay format |
CHEMBL3639746 |
OBDepict
CH
3
N
N
N
CH
3
H
3
C
N
N
H
3
C
CH
3
|
IC50 |
= |
13.0 |
nM |
433.64 |
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(CCCN2CCN(C(C)C)CC2)cc1 |
Homo sapiens |
CHEMBL3705172 |
assay format |
CHEMBL3670934 |
OBDepict
CH
3
N
N
N
CH
3
H
3
C
HO
N
H
H
CH
3
|
IC50 |
= |
15.0 |
nM |
418.59 |
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/C[C@]2(O)CCN[C@@H](C)C2)cc1 |
Homo sapiens |
CHEMBL3705172 |
assay format |
CHEMBL3675745 |
OBDepict
CH
3
N
N
N
CH
3
H
3
C
N
O
N
N
O
HN
H
OH
CH
3
|
IC50 |
= |
15.0 |
nM |
517.63 |
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(-c2nnc(C3CCN(C(=O)[C@H](CO)NC)CC3)o2)cc1 |
Homo sapiens |
CHEMBL3705172 |
assay format |
CHEMBL3675731 |
OBDepict
H
3
C
N
N
N
CH
3
H
3
C
O
N
O
H
N
H
H
OH
|
IC50 |
= |
19.0 |
nM |
491.64 |
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(OCC2CCN(C(=O)[C@H]3NCC[C@H]3O)CC2)cc1 |
Homo sapiens |
CHEMBL3705172 |
assay format |
CHEMBL3670938 |
OBDepict
CH
3
N
N
N
CH
3
H
3
C
N
HN
H
H
3
C
|
IC50 |
= |
19.0 |
nM |
403.57 |
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/CN2CCN[C@@H](C)C2)cc1 |
Homo sapiens |
CHEMBL3705172 |
assay format |
CHEMBL3675738 |
OBDepict
H
3
C
N
N
N
H
3
C
CH
3
N
N
N
NH
2
|
IC50 |
= |
21.0 |
nM |
415.55 |
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(-n2cc(CN3CC(N)C3)cn2)cc1 |
Homo sapiens |
CHEMBL3705172 |
assay format |
CHEMBL3675730 |
OBDepict
CH
3
N
N
N
CH
3
H
3
C
O
N
H
|
IC50 |
= |
22.0 |
nM |
378.52 |
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(OCC2CCNCC2)cc1 |
Homo sapiens |
CHEMBL3705172 |
assay format |
CHEMBL3670935 |
OBDepict
CH
3
N
N
N
CH
3
H
3
C
OH
N
OH
H
HO
|
IC50 |
= |
24.0 |
nM |
478.64 |
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/CC2(O)CCN(C[C@@H](O)CO)CC2)cc1 |
Homo sapiens |
CHEMBL3705172 |
assay format |
CHEMBL3675739 |
OBDepict
CH
3
N
N
N
CH
3
H
3
C
N
N
N
H
2
N
|
IC50 |
= |
26.0 |
nM |
443.6 |
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(-n2cc(CN3CCC(N)CC3)cn2)cc1 |
Homo sapiens |
CHEMBL3705172 |
assay format |
CHEMBL3670937 |
OBDepict
CH
3
N
N
N
CH
3
H
3
C
N
HN
H
HO
|
IC50 |
= |
28.0 |
nM |
419.57 |
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/CN2CCN[C@H](CO)C2)cc1 |
Homo sapiens |
CHEMBL3705172 |
assay format |
CHEMBL3675727 |
OBDepict
CH
3
N
N
N
H
3
C
H
3
C
N
N
OH
H
O
Si
H
3
C
CH
3
H
3
C
H
3
C
CH
3
|
IC50 |
= |
30.0 |
nM |
577.89 |
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/CN2CCN(C[C@@H](O)CO[Si](C)(C)C(C)(C)C)CC2)cc1 |
Homo sapiens |
CHEMBL3705172 |
assay format |
CHEMBL3670939 |
OBDepict
CH
3
O
H
HN
N
N
N
N
CH
3
CH
3
CH
3
|
IC50 |
= |
33.0 |
nM |
433.6 |
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/CN2CCN[C@H](COC)C2)cc1 |
Homo sapiens |
CHEMBL3705172 |
assay format |
CHEMBL3670941 |
OBDepict
CH
3
N
N
N
CH
3
H
3
C
N
N
N
N
H
3
C
N
|
IC50 |
= |
33.0 |
nM |
470.63 |
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/CN2CCC(c3nnnn3C)CC2)cc1 |
Homo sapiens |
CHEMBL3705172 |
assay format |
CHEMBL3670936 |
OBDepict
CH
3
N
N
N
CH
3
H
3
C
OH
N
O
N
H
3
C
O
O
H
3
C
H
3
C
CH
3
|
IC50 |
= |
34.0 |
nM |
575.75 |
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/CC2(O)CCN(C(=O)CN(C)C(=O)OC(C)(C)C)CC2)cc1 |
Homo sapiens |
CHEMBL3705172 |
assay format |
CHEMBL3670931 |
OBDepict
H
3
C
N
N
N
H
3
C
H
3
C
HO
N
O
O
CH
3
CH
3
H
3
C
|
IC50 |
= |
34.0 |
nM |
476.62 |
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/CC2(O)CN(C(=O)OC(C)(C)C)C2)cc1 |
Homo sapiens |
CHEMBL3705172 |
assay format |
CHEMBL3675726 |
OBDepict
CH
3
N
N
N
CH
3
H
3
C
N
N
O
H
N
H
H
OH
|
IC50 |
= |
35.0 |
nM |
502.66 |
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/CN2CCN(C(=O)[C@H]3NCC[C@H]3O)CC2)cc1 |
Homo sapiens |
CHEMBL3705172 |
assay format |
CHEMBL3675732 |
OBDepict
CH
3
N
N
N
CH
3
H
3
C
O
H
H
H
2
N
|
IC50 |
= |
35.0 |
nM |
392.55 |
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(OC[C@H]2CC[C@@H](N)CC2)cc1 |
Homo sapiens |
CHEMBL3705172 |
assay format |
CHEMBL3670940 |
OBDepict
NH
2
N
O
N
N
N
N
CH
3
CH
3
CH
3
|
IC50 |
= |
38.0 |
nM |
446.6 |
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/CN2CCN(C(=O)CN)CC2)cc1 |
Homo sapiens |
CHEMBL3705172 |
assay format |
CHEMBL3675741 |
OBDepict
CH
3
N
N
N
CH
3
H
3
C
N
N
N
N
HN
|
IC50 |
= |
38.0 |
nM |
430.56 |
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(-n2cc(CN3CCNCC3)nn2)cc1 |
Homo sapiens |
CHEMBL3705172 |
assay format |
CHEMBL3675740 |
OBDepict
CH
3
N
N
N
CH
3
H
3
C
N
N
N
HN
|
IC50 |
= |
43.0 |
nM |
429.57 |
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(-n2cc(CN3CCNCC3)cn2)cc1 |
Homo sapiens |
CHEMBL3705172 |
assay format |
CHEMBL3670932 |
OBDepict
CH
3
N
N
N
CH
3
H
3
C
HO
N
H
|
IC50 |
= |
44.0 |
nM |
404.56 |
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/CC2(O)CCNCC2)cc1 |
Homo sapiens |
CHEMBL3705172 |
assay format |
CHEMBL3675735 |
OBDepict
CH
3
N
N
N
CH
3
H
3
C
O
N
N
O
O
H
3
C
CH
3
H
3
C
|
IC50 |
= |
44.0 |
nM |
493.65 |
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(OCCN2CCN(C(=O)OC(C)(C)C)CC2)cc1 |
Homo sapiens |
CHEMBL3705172 |
assay format |
CHEMBL3670930 |
OBDepict
CH
3
N
N
N
CH
3
H
3
C
HO
N
O
O
H
3
C
H
3
C
CH
3
|
IC50 |
= |
45.0 |
nM |
490.65 |
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/C2(O)CCN(C(=O)OC(C)(C)C)CC2)cc1 |
Homo sapiens |
CHEMBL3705172 |
assay format |
CHEMBL3670933 |
OBDepict
CH
3
N
N
N
CH
3
H
3
C
OH
N
O
O
H
3
C
H
3
C
CH
3
|
IC50 |
= |
47.0 |
nM |
506.69 |
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(CCCC2(O)CCN(C(=O)OC(C)(C)C)CC2)cc1 |
Homo sapiens |
CHEMBL3705172 |
assay format |
CHEMBL3675725 |
OBDepict
CH
3
N
N
N
CH
3
H
3
C
N
N
O
N
H
H
HO
H
3
C
|
IC50 |
= |
51.0 |
nM |
490.65 |
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/CN2CCN(C(=O)[C@H](CO)NC)CC2)cc1 |
Homo sapiens |
CHEMBL3705172 |
assay format |
CHEMBL3675729 |
OBDepict
H
3
C
N
N
N
H
3
C
H
3
C
N
O
N
O
O
CH
3
CH
3
H
3
C
|
IC50 |
= |
54.0 |
nM |
505.66 |
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(CCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 |
Homo sapiens |
CHEMBL3705172 |
assay format |
CHEMBL3675733 |
OBDepict
CH
3
N
N
N
CH
3
H
3
C
O
H
H
N
H
O
H
N
H
H
OH
|
IC50 |
= |
54.0 |
nM |
505.66 |
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(OC[C@H]2CC[C@@H](NC(=O)[C@H]3NCC[C@H]3O)CC2)cc1 |
Homo sapiens |
CHEMBL3705172 |
assay format |
CHEMBL3675746 |
OBDepict
CH
3
N
N
N
CH
3
H
3
C
N
N
H
3
C
CH
3
|
IC50 |
= |
55.0 |
nM |
431.63 |
CCc1nc2c(C)cc(C)nc2n1Cc1ccc(/C=C/CN2CCN(C(C)C)CC2)cc1 |
Homo sapiens |
CHEMBL3705172 |
assay format |
CHEMBL3675736 |
OBDepict
CH
3
O
H
HN
N
O
N
N
N
CH
3
CH
3
CH
3
|
IC50 |
= |
59.0 |
nM |
437.59 |
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(OCCN2CCN[C@@H](COC)C2)cc1 |
Homo sapiens |
CHEMBL3705172 |
assay format |
CHEMBL3675743 |
OBDepict
CH
3
N
N
N
CH
3
H
3
C
N
O
N
HN
|
IC50 |
= |
74.0 |
nM |
416.53 |
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(-c2nnc(C3CCNCC3)o2)cc1 |
Homo sapiens |
CHEMBL3705172 |
assay format |
CHEMBL3675742 |
OBDepict
CH
3
N
N
N
CH
3
H
3
C
N
N
N
HO
N
O
O
H
3
C
H
3
C
CH
3
|
IC50 |
= |
77.0 |
nM |
545.69 |
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(-n2cc(CC3(O)CCN(C(=O)OC(C)(C)C)CC3)nn2)cc1 |
Homo sapiens |
CHEMBL3705172 |
assay format |
CHEMBL3675728 |
OBDepict
CH
3
N
N
N
CH
3
H
3
C
N
O
N
CH
3
|
IC50 |
= |
81.0 |
nM |
417.56 |
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/C(=O)N2CCN(C)CC2)cc1 |
Homo sapiens |
CHEMBL3705172 |
assay format |
CHEMBL3675734 |
OBDepict
CH
3
N
N
N
CH
3
H
3
C
O
HO
N
H
|
IC50 |
= |
110.0 |
nM |
408.55 |
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(OCCC2(O)CCNCC2)cc1 |
Homo sapiens |
CHEMBL3705172 |
assay format |
CHEMBL3675737 |
OBDepict
H
3
C
N
N
N
H
3
C
CH
3
N
N
N
OH
|
IC50 |
= |
118.0 |
nM |
416.53 |
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(-n2cc(CN3CC(O)C3)cn2)cc1 |
Homo sapiens |
CHEMBL3705172 |
assay format |