molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL1289926 |
|
IC50 |
= |
0.1 |
nM |
386.48 |
CNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 |
Homo sapiens |
CHEMBL4271315 |
single protein format |
CHEMBL3939307 |
OBDepict
H
3
C
N
H
O
S
N
H
N
N
|
IC50 |
= |
0.1 |
nM |
388.5 |
CNC(=O)c1ccccc1Sc1ccc2c(CCc3ccccn3)n[nH]c2c1 |
Homo sapiens |
CHEMBL3871603 |
single protein format |
CHEMBL1940109 |
OBDepict
CH
3
O
O
O
N
CH
3
N
O
N
N
N
H
O
O
H
3
C
|
IC50 |
= |
0.2 |
nM |
479.49 |
COCCOc1cc2ncnc(Oc3cnn(CC(=O)Nc4cccc(OC)c4)c3)c2cc1OC |
Homo sapiens |
CHEMBL1942930 |
cell-based format |
CHEMBL1289494 |
OBDepict
CH
3
O
O
H
3
C
O
N
Cl
N
H
NH
O
N
O
H
3
C
|
IC50 |
= |
0.24 |
nM |
454.87 |
COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC |
Homo sapiens |
CHEMBL2186467 |
single protein format |
CHEMBL3288854 |
OBDepict
H
3
C
N
N
N
H
O
H
3
C
CH
3
N
H
O
HN
F
|
Ki |
< |
0.3 |
nM |
425.51 |
Cc1[nH]c(/C=C2C(=O)Nc3ccc(F)cc32)c(C)c1NC(=O)CCN1CCN(C)CC1 |
Homo sapiens |
CHEMBL3296756 |
single protein format |
CHEMBL1940108 |
OBDepict
H
3
C
O
N
H
O
N
N
O
N
N
O
H
3
C
O
H
3
C
|
IC50 |
= |
0.4 |
nM |
435.44 |
COc1cccc(NC(=O)Cn2cc(Oc3ncnc4cc(OC)c(OC)cc34)cn2)c1 |
Homo sapiens |
CHEMBL1942930 |
cell-based format |
CHEMBL1668411 |
OBDepict
CH
3
O
OH
O
O
H
HO
H
CH
3
H
HO
O
|
IC50 |
= |
0.5 |
nM |
362.38 |
COc1cc(O)c2c(c1)/C=C/C[C@@H](O)[C@H](O)C(=O)/C=CC[C@H](C)OC2=O |
Homo sapiens |
CHEMBL1670830 |
single protein format |
CHEMBL1173411 |
OBDepict
CH
3
O
N
H
N
H
O
N
H
O
N
H
CH
3
O
HO
|
IC50 |
= |
0.8 |
nM |
432.44 |
COc1ccc(NC(=O)Nc2ccc3c(c2)NC(=O)/C3=Cc2[nH]cc(C(=O)O)c2C)cc1 |
Homo sapiens |
CHEMBL1176707 |
single protein format |
CHEMBL495727 |
OBDepict
O
NH
NH
N
N
H
N
N
H
N
O
|
IC50 |
= |
1.0 |
nM |
381.44 |
O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)NC1CC1 |
Homo sapiens |
CHEMBL1009877 |
single protein format |
CHEMBL3891581 |
OBDepict
H
3
C
N
N
N
H
N
N
Cl
O
NH
2
|
IC50 |
= |
1.0 |
nM |
491.04 |
CN1CCC(c2ccc(Nc3ncc(Cl)c(CCc4ccccc4C4(C(N)=O)CC4)n3)cn2)CC1 |
Homo sapiens |
CHEMBL3887860 |
single protein format |
CHEMBL4453304 |
OBDepict
CH
3
O
OH
O
O
H
CH
3
H
HO
H
HO
O
|
IC50 |
= |
1.1 |
nM |
398.41 |
COc1cc(O)c2c(c1)-c1cccc(c1)[C@@H](O)[C@H](O)C(=O)/C=CC[C@H](C)OC2=O |
Homo sapiens |
CHEMBL4337766 |
single protein format |
CHEMBL2180604 |
OBDepict
CH
3
N
N
H
3
C
NH
O
CH
3
O
N
N
N
N
H
O
|
IC50 |
= |
1.1 |
nM |
445.48 |
Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)ccc2C)n(C)n1 |
Homo sapiens |
CHEMBL2186467 |
single protein format |
CHEMBL2012519 |
OBDepict
CH
3
O
OH
O
O
H
HO
H
CH
3
H
HO
O
|
IC50 |
= |
1.13 |
nM |
364.39 |
COc1cc(O)c2c(c1)CCC[C@H](O)[C@H](O)C(=O)/C=CC[C@H](C)OC2=O |
Homo sapiens |
CHEMBL3998812 |
single protein format |
CHEMBL4303275 |
OBDepict
CH
3
O
HO
H
3
C
N
N
O
CH
3
NH
2
NH
O
CH
3
|
IC50 |
= |
1.2 |
nM |
358.4 |
CCn1c(N)c(C(=O)NC)c(=O)c2ccc(C#C[C@@](C)(O)COC)nc21 |
Homo sapiens |
CHEMBL4337766 |
single protein format |
CHEMBL2180602 |
OBDepict
CH
3
N
H
3
C
NH
O
CH
3
N
H
O
HN
F
|
IC50 |
= |
1.3 |
nM |
424.52 |
CCN(CC)CCNC(=O)c1c(C)[nH]c2c1CCC/C2=C1/C(=O)Nc2ccc(F)cc21 |
Homo sapiens |
CHEMBL2434169 |
single protein format |
CHEMBL2332119 |
OBDepict
NH
2
O
O
NH
2
N
H
O
OH
|
IC50 |
= |
1.8 |
nM |
273.25 |
NC(=O)C1=C(N)C(=O)C=C(Nc2ccccc2O)C1=O |
Homo sapiens |
CHEMBL2343629 |
single protein format |
CHEMBL3644873 |
OBDepict
CH
3
HN
O
H
2
N
N
O
H
3
C
N
OH
H
3
C
S
|
IC50 |
= |
2.0 |
nM |
396.47 |
CCn1c(N)c(C(=O)NC)c(=O)c2ccc(C#CC(C)(O)c3ccsc3)nc21 |
Homo sapiens |
CHEMBL3705249 |
single protein format |
CHEMBL3908239 |
OBDepict
O
O
HN
CH
3
CH
3
CH
3
CH
3
N
H
N
N
Cl
O
H
2
N
|
IC50 |
= |
2.0 |
nM |
536.08 |
CC(NC(=O)OC(C)(C)C)c1ccc(Nc2ncc(Cl)c(CCc3ccccc3C3(C(N)=O)CC3)n2)cc1 |
Homo sapiens |
CHEMBL3887860 |
single protein format |
CHEMBL429743 |
OBDepict
H
3
C
O
O
H
3
C
O
N
N
H
O
Cl
|
IC50 |
= |
2.0 |
nM |
484.94 |
COc1cc2nccc(Oc3ccc4c(C(=O)Nc5ccc(Cl)cc5)cccc4c3)c2cc1OC |
Homo sapiens |
CHEMBL934132 |
single protein format |
CHEMBL1784637 |
OBDepict
HO
N
N
F
F
F
N
H
O
CH
3
N
N
CH
3
N
H
O
CH
3
|
IC50 |
= |
2.6 |
nM |
582.63 |
CNC(=O)c1ncc(C#Cc2cc(C(=O)Nc3ccc(CN4CCN(CCO)CC4)c(C(F)(F)F)c3)ccc2C)n1C |
Homo sapiens |
CHEMBL1785586 |
single protein format |
CHEMBL3898744 |
OBDepict
H
3
C
N
N
N
H
N
N
F
F
F
O
NH
2
|
IC50 |
= |
3.0 |
nM |
430.43 |
Cn1cc(Nc2ncc(C(F)(F)F)c(CCc3ccccc3C3(C(N)=O)CC3)n2)cn1 |
Homo sapiens |
CHEMBL3887860 |
single protein format |
CHEMBL3981577 |
OBDepict
H
3
C
N
N
N
H
N
N
Cl
CH
3
CH
3
O
NH
2
|
IC50 |
= |
3.0 |
nM |
398.9 |
Cn1cc(Nc2ncc(Cl)c(CCc3ccccc3C(C)(C)C(N)=O)n2)cn1 |
Homo sapiens |
CHEMBL3887860 |
single protein format |
CHEMBL1336 |
OBDepict
CH
3
NH
O
N
O
N
H
NH
O
Cl
F
F
F
|
IC50 |
= |
3.0 |
nM |
464.83 |
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 |
Homo sapiens |
CHEMBL1176707 |
single protein format |
CHEMBL3959306 |
OBDepict
H
N
N
N
H
N
N
Cl
O
NH
2
|
IC50 |
= |
3.0 |
nM |
382.86 |
NC(=O)C1(c2ccccc2CCc2nc(Nc3cn[nH]c3)ncc2Cl)CC1 |
Homo sapiens |
CHEMBL3887860 |
single protein format |
CHEMBL3894588 |
OBDepict
CH
3
O
N
N
N
H
N
N
Cl
O
H
2
N
|
IC50 |
= |
3.0 |
nM |
440.94 |
COCCn1cc(Nc2ncc(Cl)c(CCc3ccccc3C3(C(N)=O)CC3)n2)cn1 |
Homo sapiens |
CHEMBL3887860 |
single protein format |
CHEMBL522892 |
OBDepict
CH
3
N
N
N
N
H
NH
2
O
N
H
F
|
IC50 |
= |
3.0 |
nM |
392.44 |
CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1 |
Homo sapiens |
CHEMBL1011004 |
single protein format |
CHEMBL213504 |
OBDepict
O
N
H
HN
F
F
F
N
S
H
2
N
N
N
|
IC50 |
< |
3.0 |
nM |
430.42 |
Nc1ncnc2snc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12 |
Homo sapiens |
CHEMBL864252 |
single protein format |
CHEMBL491473 |
OBDepict
CH
3
O
O
N
O
N
N
F
N
H
H
3
C
|
IC50 |
= |
3.0 |
nM |
450.51 |
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1 |
Homo sapiens |
CHEMBL2186467 |
single protein format |
CHEMBL3982717 |
OBDepict
CH
3
N
N
N
N
H
N
N
Cl
O
H
2
N
|
IC50 |
= |
3.0 |
nM |
480.02 |
CN1CCC(n2cc(Nc3ncc(Cl)c(CCc4ccccc4C4(C(N)=O)CC4)n3)cn2)CC1 |
Homo sapiens |
CHEMBL3887860 |
single protein format |
CHEMBL390156 |
OBDepict
H
3
C
N
N
N
H
N
S
O
|
IC50 |
= |
3.0 |
nM |
480.64 |
CN1CCN(Cc2ccc3c(c2)Cc2c(-c4csc(C#CCOc5ccccc5)c4)n[nH]c2-3)CC1 |
Homo sapiens |
CHEMBL914194 |
single protein format |
CHEMBL525909 |
OBDepict
CH
3
O
O
N
H
O
NH
N
O
H
3
C
N
CH
3
H
3
C
|
IC50 |
= |
3.0 |
nM |
512.61 |
COC(=O)c1ccc2c(c1)NC(=O)/C2=C(Nc1ccc(N(CCCN(C)C)C(C)=O)cc1)c1ccccc1 |
Homo sapiens |
CHEMBL1017195 |
single protein format |
CHEMBL2086760 |
OBDepict
CH
3
N
N
H
N
H
O
N
N
H
Cl
|
IC50 |
= |
3.2 |
nM |
447.97 |
CCN1CCC(Nc2ccc3c(c2)C(=C(c2ccc(Cl)cc2)c2ncc[nH]2)C(=O)N3)CC1 |
Homo sapiens |
CHEMBL2089886 |
single protein format |
CHEMBL2079588 |
OBDepict
CH
3
N
H
O
N
O
N
N
O
N
H
Cl
|
IC50 |
= |
4.0 |
nM |
409.83 |
CNC(=O)c1cc(COc2nnc(Nc3ccc(Cl)cc3)c3ccoc23)ccn1 |
Homo sapiens |
CHEMBL2186467 |
single protein format |
CHEMBL3931510 |
OBDepict
HO
N
N
N
H
N
N
Cl
O
NH
2
|
IC50 |
= |
4.0 |
nM |
426.91 |
NC(=O)C1(c2ccccc2CCc2nc(Nc3cnn(CCO)c3)ncc2Cl)CC1 |
Homo sapiens |
CHEMBL3887860 |
single protein format |
CHEMBL3911152 |
OBDepict
NH
2
O
N
Cl
N
N
H
N
N
CH
3
CH
3
|
IC50 |
= |
4.0 |
nM |
424.94 |
CC(C)n1cc(Nc2ncc(Cl)c(CCc3ccccc3C3(C(N)=O)CC3)n2)cn1 |
Homo sapiens |
CHEMBL3887860 |
single protein format |
CHEMBL3918309 |
OBDepict
CH
3
N
N
N
H
N
N
Cl
O
H
2
N
|
IC50 |
= |
4.0 |
nM |
396.88 |
Cn1cc(Nc2ncc(Cl)c(CCc3ccccc3C3(C(N)=O)CC3)n2)cn1 |
Homo sapiens |
CHEMBL3887860 |
single protein format |
CHEMBL150894 |
OBDepict
HO
N
N
H
O
O
H
3
C
CH
3
|
IC50 |
= |
4.0 |
nM |
440.54 |
CC(C)OCc1ccc2c(c1)c1c3c(c4c(c1n2CCCO)Cc1ccccc1-4)C(=O)NC3 |
Homo sapiens |
CHEMBL811925 |
single protein format |
CHEMBL3764474 |
OBDepict
O
HN
HN
S
F
O
N
S
N
N
H
3
C
|
IC50 |
= |
4.0 |
nM |
517.61 |
Cn1ccnc1-c1cc2c(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)ccnc2s1 |
Homo sapiens |
CHEMBL3767458 |
single protein format |
CHEMBL376951 |
OBDepict
O
N
H
N
H
CH
3
N
S
NH
2
N
N
|
IC50 |
= |
4.0 |
nM |
376.45 |
Cc1cccc(NC(=O)Nc2ccc(-c3nsc4ncnc(N)c34)cc2)c1 |
Homo sapiens |
CHEMBL864252 |
single protein format |
CHEMBL223971 |
OBDepict
CH
3
O
O
S
N
N
H
N
N
N
|
IC50 |
= |
4.0 |
nM |
431.52 |
COCCOCC#Cc1cc(-c2n[nH]c3c2Cc2ccc(Cn4cncn4)cc2-3)cs1 |
Homo sapiens |
CHEMBL914194 |
single protein format |
CHEMBL4075720 |
OBDepict
CH
3
N
N
N
H
O
N
N
NH
H
N
N
S
|
IC50 |
= |
4.5 |
nM |
448.56 |
CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4sccc34)cc2)CC1 |
Homo sapiens |
CHEMBL4155897 |
single protein format |
CHEMBL3426917 |
OBDepict
O
N
H
N
H
N
Cl
O
H
3
C
O
N
O
O
D
D
D
D
D
D
|
IC50 |
= |
4.55 |
nM |
460.91 |
[2H]C([2H])([2H])Oc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC([2H])([2H])[2H] |
Homo sapiens |
CHEMBL3429405 |
single protein format |
CHEMBL498265 |
OBDepict
CH
3
O
O
N
H
O
NH
N
O
H
3
C
N
CH
3
H
3
C
|
IC50 |
= |
5.0 |
nM |
498.58 |
COC(=O)c1ccc2c(c1)NC(=O)/C2=C(Nc1ccc(N(CCN(C)C)C(C)=O)cc1)c1ccccc1 |
Homo sapiens |
CHEMBL1017195 |
single protein format |
CHEMBL3644871 |
OBDepict
CH
3
O
OH
CH
3
N
N
O
NH
2
N
H
O
H
3
C
|
IC50 |
= |
5.0 |
nM |
412.49 |
CNC(=O)c1c(N)n(C2CCCCC2)c2nc(C#CC(C)(O)COC)ccc2c1=O |
Homo sapiens |
CHEMBL3705249 |
single protein format |
CHEMBL3973562 |
OBDepict
H
3
C
N
N
N
H
N
N
CH
3
O
NH
2
|
IC50 |
= |
5.0 |
nM |
376.46 |
Cc1cnc(Nc2cnn(C)c2)nc1CCc1ccccc1C1(C(N)=O)CC1 |
Homo sapiens |
CHEMBL3887860 |
single protein format |
CHEMBL201511 |
OBDepict
H
3
C
O
O
H
3
C
O
CH
3
O
N
H
O
N
H
|
IC50 |
= |
5.0 |
nM |
378.38 |
COc1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)cc(OC)c1OC |
Homo sapiens |
CHEMBL912729 |
single protein format |
CHEMBL1940110 |
OBDepict
CH
3
O
O
O
H
3
C
N
O
N
N
N
N
H
O
O
CH
3
|
IC50 |
< |
5.0 |
nM |
479.49 |
COCCOc1cc2c(Oc3cnn(CC(=O)Nc4cccc(OC)c4)c3)ncnc2cc1OC |
Homo sapiens |
CHEMBL1942930 |
cell-based format |
CHEMBL1082829 |
OBDepict
H
3
C
N
N
H
O
N
N
O
CH
3
|
IC50 |
= |
5.0 |
nM |
468.6 |
CCCCn1c2ccc(C3CCCCO3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 |
Homo sapiens |
CHEMBL1119653 |
single protein format |
CHEMBL1940268 |
OBDepict
CH
3
O
O
N
CH
3
N
O
N
H
O
N
N
H
CH
3
|
IC50 |
< |
5.0 |
nM |
433.47 |
CCc1cc(NC(=O)Cc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)n[nH]1 |
Homo sapiens |
CHEMBL1942930 |
cell-based format |
CHEMBL502835 |
OBDepict
CH
3
O
O
NH
O
N
H
N
CH
3
O
N
N
H
3
C
|
IC50 |
= |
5.0 |
nM |
539.64 |
COC(=O)c1ccc2c(c1)NC(=O)/C2=C(Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)c1ccccc1 |
Homo sapiens |
CHEMBL1017195 |
single protein format |
CHEMBL1289601 |
OBDepict
CH
3
O
N
O
H
2
N
O
Cl
N
H
N
H
O
|
IC50 |
= |
5.2 |
nM |
426.86 |
COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O |
Homo sapiens |
CHEMBL2186467 |
single protein format |
CHEMBL3765306 |
OBDepict
O
HN
O
+
N
H
3
C
F
O
N
N
N
H
O
ClH
|
IC50 |
= |
5.5 |
nM |
575.02 |
CC1=[N+](c2ccccc2)C(=O)C(C(=O)Nc2ccc(Oc3ccc4nc(NC(=O)C5CC5)cn4c3)c(F)c2)C=C1.Cl |
Homo sapiens |
CHEMBL3767600 |
single protein format |
CHEMBL1173107 |
OBDepict
O
HN
N
H
N
H
O
N
H
CH
3
H
3
C
O
HO
|
IC50 |
= |
5.8 |
nM |
416.44 |
Cc1[nH]c(/C=C2C(=O)Nc3cc(NC(=O)Nc4ccccc4)ccc32)c(C)c1C(=O)O |
Homo sapiens |
CHEMBL1176707 |
single protein format |
CHEMBL3963494 |
OBDepict
NH
2
O
N
Cl
N
N
H
N
N
N
H
|
IC50 |
= |
6.0 |
nM |
437.94 |
NC(=O)C1(c2ccccc2CCc2nc(Nc3cnn(C4CNC4)c3)ncc2Cl)CC1 |
Homo sapiens |
CHEMBL3887860 |
single protein format |
CHEMBL2105717 |
OBDepict
CH
3
O
O
CH
3
O
N
N
H
O
HN
O
F
|
IC50 |
= |
6.0 |
nM |
501.51 |
COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC |
Homo sapiens |
CHEMBL4307052 |
single protein format |
CHEMBL572881 |
OBDepict
O
N
H
N
N
H
N
H
CH
3
CH
3
N
|
IC50 |
= |
6.0 |
nM |
373.46 |
CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21 |
Homo sapiens |
CHEMBL2186467 |
single protein format |
CHEMBL3628808 |
OBDepict
O
NH
N
H
Br
O
N
N
S
|
IC50 |
= |
6.0 |
nM |
441.31 |
O=C(Nc1ccc(Oc2ncnc3sccc23)cc1)Nc1cccc(Br)c1 |
Homo sapiens |
CHEMBL3631061 |
single protein format |
CHEMBL3644865 |
OBDepict
CH
3
HN
O
NH
2
N
O
CH
3
N
OH
H
3
C
O
H
3
C
|
IC50 |
= |
6.0 |
nM |
420.47 |
CCn1c(N)c(C(=O)NC)c(=O)c2ccc(C#CC(C)(O)c3cccc(OC)c3)nc21 |
Homo sapiens |
CHEMBL3705249 |
single protein format |
CHEMBL498088 |
OBDepict
CH
3
O
O
N
H
O
NH
N
O
H
3
C
N
O
CH
3
H
3
C
|
IC50 |
= |
6.0 |
nM |
512.57 |
COC(=O)c1ccc2c(c1)NC(=O)/C2=C(Nc1ccc(N(CC(=O)N(C)C)C(C)=O)cc1)c1ccccc1 |
Homo sapiens |
CHEMBL1017195 |
single protein format |
CHEMBL4793380 |
OBDepict
O
NH
N
H
N
O
H
3
C
H
3
C
CH
3
N
H
N
O
N
HN
|
IC50 |
= |
6.0 |
nM |
423.48 |
CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4c3OCCCN4)cc2)no1 |
Homo sapiens |
CHEMBL4767006 |
single protein format |
CHEMBL3928029 |
OBDepict
H
3
C
N
N
N
N
H
N
N
F
F
F
O
NH
2
|
IC50 |
= |
7.0 |
nM |
513.57 |
CN1CCC(n2cc(Nc3ncc(C(F)(F)F)c(CCc4ccccc4C4(C(N)=O)CC4)n3)cn2)CC1 |
Homo sapiens |
CHEMBL3887860 |
single protein format |
CHEMBL3893827 |
OBDepict
NH
2
O
N
Cl
N
N
H
N
N
N
H
|
IC50 |
= |
7.0 |
nM |
451.96 |
NC(=O)C1(c2ccccc2CCc2nc(Nc3cnn(C4CCNC4)c3)ncc2Cl)CC1 |
Homo sapiens |
CHEMBL3887860 |
single protein format |
CHEMBL3970373 |
OBDepict
CH
3
N
N
N
N
H
N
N
Cl
O
H
2
N
|
IC50 |
= |
7.0 |
nM |
465.99 |
CN1CCC(n2cc(Nc3ncc(Cl)c(CCc4ccccc4C4(C(N)=O)CC4)n3)cn2)C1 |
Homo sapiens |
CHEMBL3887860 |
single protein format |
CHEMBL1940112 |
OBDepict
H
3
C
O
O
N
O
N
N
N
N
N
H
O
O
CH
3
|
IC50 |
= |
7.0 |
nM |
518.57 |
COc1cccc(NC(=O)Cn2cc(Oc3ncnc4cc(OCCN5CCCC5)c(OC)cc34)cn2)c1 |
Homo sapiens |
CHEMBL1942930 |
cell-based format |
CHEMBL524453 |
OBDepict
H
3
C
O
O
HN
O
N
H
N
CH
3
O
N
N
|
IC50 |
= |
7.0 |
nM |
507.55 |
COC(=O)c1ccc2c(c1)NC(=O)/C2=C(Nc1ccc(N(C)C(=O)Cn2ccnc2)cc1)c1ccccc1 |
Homo sapiens |
CHEMBL1017195 |
single protein format |
CHEMBL3628807 |
OBDepict
O
HN
N
H
Br
O
N
N
|
IC50 |
= |
7.0 |
nM |
435.28 |
O=C(Nc1ccc(Oc2ncnc3ccccc23)cc1)Nc1cccc(Br)c1 |
Homo sapiens |
CHEMBL3631061 |
single protein format |
CHEMBL3918369 |
OBDepict
H
N
N
CH
3
N
H
N
N
Cl
O
NH
2
|
IC50 |
= |
7.0 |
nM |
396.88 |
Cc1n[nH]cc1Nc1ncc(Cl)c(CCc2ccccc2C2(C(N)=O)CC2)n1 |
Homo sapiens |
CHEMBL3887860 |
single protein format |
CHEMBL3891977 |
OBDepict
F
F
N
N
N
H
N
N
Cl
O
NH
2
|
IC50 |
= |
7.0 |
nM |
446.89 |
NC(=O)C1(c2ccccc2CCc2nc(Nc3cnn(CC(F)F)c3)ncc2Cl)CC1 |
Homo sapiens |
CHEMBL3887860 |
single protein format |
CHEMBL3907640 |
OBDepict
NH
2
O
N
N
N
H
F
F
F
N
N
N
H
|
IC50 |
= |
7.0 |
nM |
499.54 |
NC(=O)C1(c2ccccc2CCc2nc(Nc3cnn(C4CCNCC4)c3)ncc2C(F)(F)F)CC1 |
Homo sapiens |
CHEMBL3887860 |
single protein format |
CHEMBL4589270 |
OBDepict
CH
3
O
O
CH
3
N
N
H
N
N
N
H
O
Cl
|
IC50 |
= |
7.8 |
nM |
489.96 |
COc1cc2ncnc(Nc3ccc4c(c3)CCCN4C(=O)Nc3cccc(Cl)c3)c2cc1OC |
Homo sapiens |
CHEMBL4332296 |
single protein format |
CHEMBL3989870 |
OBDepict
CH
3
N
H
N
O
N
NH
2
N
S
O
O
H
3
C
H
3
C
|
Ki |
= |
8.0 |
nM |
463.56 |
CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1 |
Homo sapiens |
CHEMBL4352764 |
single protein format |
CHEMBL4447631 |
OBDepict
HO
N
CH
3
N
F
N
H
N
N
CH
3
N
N
H
3
C
CH
3
|
IC50 |
= |
8.0 |
nM |
467.59 |
Cc1cnc(Nc2ccc(N3CCC(N(C)CCO)CC3)c(F)c2)nc1-c1cnn(C(C)C)c1 |
Homo sapiens |
CHEMBL4323944 |
single protein format |
CHEMBL1940274 |
OBDepict
CH
3
O
O
N
CH
3
N
O
N
H
O
N
N
CH
3
H
3
C
|
IC50 |
= |
8.0 |
nM |
447.5 |
COc1cc2ncnc(Oc3ccc(CC(=O)Nc4cnn(C(C)C)c4)cc3)c2cc1OC |
Homo sapiens |
CHEMBL1942930 |
cell-based format |
CHEMBL3922174 |
OBDepict
Cl
N
N
NH
N
O
H
2
N
|
IC50 |
= |
8.0 |
nM |
393.88 |
NC(=O)C1(c2ccccc2CCc2nc(Nc3cccnc3)ncc2Cl)CC1 |
Homo sapiens |
CHEMBL3887860 |
single protein format |
CHEMBL3963900 |
OBDepict
CH
3
O
N
N
H
N
N
F
F
F
O
H
2
N
|
IC50 |
= |
8.0 |
nM |
457.46 |
COc1ccc(Nc2ncc(C(F)(F)F)c(CCc3ccccc3C3(C(N)=O)CC3)n2)cn1 |
Homo sapiens |
CHEMBL3887860 |
single protein format |
CHEMBL1940259 |
OBDepict
CH
3
O
N
H
O
O
N
N
O
H
3
C
O
CH
3
|
IC50 |
= |
8.0 |
nM |
445.48 |
COc1cccc(NC(=O)Cc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)c1 |
Homo sapiens |
CHEMBL1942930 |
cell-based format |
CHEMBL3938170 |
OBDepict
NH
2
O
N
Cl
N
N
H
N
N
F
F
F
|
IC50 |
= |
8.0 |
nM |
464.88 |
NC(=O)C1(c2ccccc2CCc2nc(Nc3cnn(CC(F)(F)F)c3)ncc2Cl)CC1 |
Homo sapiens |
CHEMBL3887860 |
single protein format |
CHEMBL1172886 |
OBDepict
O
NH
N
H
N
H
Cl
O
N
H
|
IC50 |
= |
8.7 |
nM |
378.82 |
O=C(Nc1ccc(Cl)cc1)Nc1ccc2c(c1)NC(=O)/C2=Cc1ccc[nH]1 |
Homo sapiens |
CHEMBL1176707 |
single protein format |
CHEMBL535 |
OBDepict
H
3
C
N
CH
3
HN
O
H
3
C
CH
3
N
H
O
N
H
F
|
IC50 |
= |
8.9 |
nM |
398.48 |
CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2C(=O)Nc3ccc(F)cc32)c1C |
Homo sapiens |
CHEMBL1176707 |
single protein format |
CHEMBL1084337 |
OBDepict
CH
3
H
3
C
N
N
H
O
N
N
O
CH
3
|
IC50 |
= |
9.0 |
nM |
468.6 |
CC(C)Cn1c2ccc(C3CCCCO3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 |
Homo sapiens |
CHEMBL1119653 |
single protein format |
CHEMBL3954050 |
OBDepict
NH
2
O
N
Cl
N
N
H
N
N
N
H
|
IC50 |
= |
9.0 |
nM |
465.99 |
NC(=O)C1(c2ccccc2CCc2nc(Nc3cnn(C4CCNCC4)c3)ncc2Cl)CC1 |
Homo sapiens |
CHEMBL3887860 |
single protein format |
CHEMBL3948670 |
OBDepict
H
3
C
N
N
H
N
N
F
F
F
O
NH
2
|
IC50 |
= |
9.0 |
nM |
523.6 |
CN1CCC(c2ccc(Nc3ncc(C(F)(F)F)c(CCc4ccccc4C4(C(N)=O)CC4)n3)cc2)CC1 |
Homo sapiens |
CHEMBL3887860 |
single protein format |
CHEMBL2018882 |
OBDepict
CH
3
O
O
CH
3
N
O
N
N
H
NH
O
Br
|
IC50 |
= |
9.0 |
nM |
495.33 |
COc1cc2ncnc(Oc3ccc(NC(=O)Nc4cccc(Br)c4)cc3)c2cc1OC |
Homo sapiens |
CHEMBL3631061 |
single protein format |
CHEMBL3960972 |
OBDepict
NH
2
O
H
3
C
N
Cl
N
HN
N
N
H
|
IC50 |
= |
9.0 |
nM |
370.84 |
CC(C(N)=O)c1ccccc1CCc1nc(Nc2cn[nH]c2)ncc1Cl |
Homo sapiens |
CHEMBL3887860 |
single protein format |
CHEMBL3970712 |
OBDepict
CH
3
N
N
N
NH
N
N
Cl
CH
3
O
NH
2
|
IC50 |
= |
9.0 |
nM |
468.01 |
CC(C(N)=O)c1ccccc1CCc1nc(Nc2cnn(C3CCN(C)CC3)c2)ncc1Cl |
Homo sapiens |
CHEMBL3887860 |
single protein format |
CHEMBL4452766 |
OBDepict
CH
3
O
OH
O
O
H
CH
3
H
HO
H
HO
O
|
IC50 |
= |
9.2 |
nM |
398.41 |
COc1cc(O)c2c(c1)-c1cccc(c1)[C@H](O)[C@@H](O)C(=O)/C=CC[C@H](C)OC2=O |
Homo sapiens |
CHEMBL4337766 |
single protein format |
CHEMBL1934327 |
OBDepict
CH
3
N
O
N
N
NH
N
H
NH
O
F
|
IC50 |
= |
9.6 |
nM |
500.58 |
CN1CCC(COc2ccc3c(Nc4ccc(NC(=O)Nc5cccc(F)c5)cc4)ncnc3c2)CC1 |
Homo sapiens |
CHEMBL1937309 |
single protein format |
CHEMBL4069394 |
OBDepict
CH
3
O
O
N
H
O
NH
N
N
CH
3
H
3
C
|
IC50 |
= |
9.6 |
nM |
492.58 |
COC(=O)c1ccc2c(c1)NC(=O)/C2=C(Nc1ccc(-n2cccc2CN(C)C)cc1)c1ccccc1 |
Homo sapiens |
CHEMBL3993999 |
assay format |
CHEMBL4530473 |
OBDepict
CH
3
O
OH
O
O
H
CH
3
H
HO
H
HO
O
|
IC50 |
= |
9.9 |
nM |
398.41 |
COc1cc(O)c2c(c1)-c1cccc(c1)[C@@H](O)[C@H](O)C(=O)C/C=C/[C@H](C)OC2=O |
Homo sapiens |
CHEMBL4337766 |
single protein format |
CHEMBL498266 |
OBDepict
CH
3
O
O
N
H
O
NH
N
S
O
O
H
3
C
N
CH
3
H
3
C
|
IC50 |
= |
10.0 |
nM |
534.64 |
COC(=O)c1ccc2c(c1)NC(=O)/C2=C(Nc1ccc(N(CCN(C)C)S(C)(=O)=O)cc1)c1ccccc1 |
Homo sapiens |
CHEMBL1017195 |
single protein format |
CHEMBL2180605 |
OBDepict
CH
3
NH
O
O
N
O
CH
3
O
NH
2
ClH
|
IC50 |
= |
10.0 |
nM |
479.96 |
CNC(=O)c1cccc2cc(Oc3ccnc4cc(OCC5(N)CC5)c(OC)cc34)ccc12.Cl |
Homo sapiens |
CHEMBL2186467 |
single protein format |
CHEMBL3913725 |
OBDepict
CH
3
HN
O
CH
3
N
H
N
N
F
F
F
O
H
2
N
|
IC50 |
= |
10.0 |
nM |
511.55 |
CC(=O)NC(C)c1ccc(Nc2ncc(C(F)(F)F)c(CCc3ccccc3C3(C(N)=O)CC3)n2)cc1 |
Homo sapiens |
CHEMBL3887860 |
single protein format |
CHEMBL3909401 |
OBDepict
NH
2
O
N
N
N
H
F
F
F
NH
|
IC50 |
= |
10.0 |
nM |
509.58 |
NC(=O)C1(c2ccccc2CCc2nc(Nc3ccc(C4CCNCC4)cc3)ncc2C(F)(F)F)CC1 |
Homo sapiens |
CHEMBL3887860 |
single protein format |
CHEMBL2220486 |
OBDepict
CH
3
NH
O
O
N
O
CH
3
O
NH
2
|
IC50 |
= |
10.0 |
nM |
443.5 |
CNC(=O)c1cccc2cc(Oc3ccnc4cc(OCC5(N)CC5)c(OC)cc34)ccc12 |
Homo sapiens |
CHEMBL3998333 |
single protein format |
CHEMBL3893200 |
OBDepict
H
3
C
N
N
H
N
N
Cl
O
NH
2
|
IC50 |
= |
10.0 |
nM |
490.05 |
CN1CCC(c2ccc(Nc3ncc(Cl)c(CCc4ccccc4C4(C(N)=O)CC4)n3)cc2)CC1 |
Homo sapiens |
CHEMBL3887860 |
single protein format |
CHEMBL3917694 |
OBDepict
NH
2
O
N
Cl
N
N
H
HN
|
IC50 |
= |
10.0 |
nM |
476.02 |
NC(=O)C1(c2ccccc2CCc2nc(Nc3ccc(C4CCNCC4)cc3)ncc2Cl)CC1 |
Homo sapiens |
CHEMBL3887860 |
single protein format |
CHEMBL258015 |
OBDepict
CH
3
O
N
H
3
C
N
N
H
CH
3
CH
3
O
N
N
H
3
C
|
IC50 |
= |
10.0 |
nM |
455.56 |
CO/N=C(C)c1ccc2c(c1)c1c3c(c4c(c1n2CC(C)C)CCc1nn(C)cc1-4)C(=O)NC3 |
Homo sapiens |
CHEMBL929892 |
single protein format |
CHEMBL525203 |
OBDepict
H
3
C
O
O
N
H
O
NH
N
CH
3
N
O
CH
3
H
3
C
|
IC50 |
= |
10.0 |
nM |
484.56 |
COC(=O)c1ccc2c(c1)NC(=O)/C2=C(Nc1ccc(CN(C)C(=O)N(C)C)cc1)c1ccccc1 |
Homo sapiens |
CHEMBL1017195 |
single protein format |
CHEMBL1173150 |
OBDepict
CH
3
O
N
H
N
H
O
N
H
O
N
CH
3
H
H
3
C
O
OH
|
IC50 |
= |
11.0 |
nM |
460.49 |
COc1ccc(NC(=O)Nc2ccc3c(c2)NC(=O)/C3=Cc2[nH]c(C)c(CC(=O)O)c2C)cc1 |
Homo sapiens |
CHEMBL1176707 |
single protein format |
CHEMBL3980022 |
OBDepict
NH
2
O
N
Cl
N
N
H
N
HN
|
IC50 |
= |
11.0 |
nM |
477.01 |
NC(=O)C1(c2ccccc2CCc2nc(Nc3ccc(C4CCNCC4)nc3)ncc2Cl)CC1 |
Homo sapiens |
CHEMBL3887860 |
single protein format |