molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL1835867 |
|
Ki |
< |
0.001 |
nM |
349.44 |
CN1CCC(c2ccc(Nc3nc(N)n(-c4ccccn4)n3)cc2)CC1 |
Homo sapiens |
CHEMBL1840409 |
single protein format |
CHEMBL3975634 |
OBDepict
CH
3
O
H
O
N
H
N
H
H
3
C
N
N
HO
|
IC50 |
= |
0.18 |
nM |
452.51 |
CN[C@H]1CC2OC([C@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(O)=NC4 |
Homo sapiens |
CHEMBL3707563 |
single protein format |
CHEMBL3628797 |
OBDepict
O
HN
N
H
Br
N
H
N
N
|
IC50 |
= |
1.0 |
nM |
434.3 |
O=C(Nc1ccc(Nc2ncnc3ccccc23)cc1)Nc1cccc(Br)c1 |
Homo sapiens |
CHEMBL3631063 |
single protein format |
CHEMBL1835870 |
OBDepict
NH
2
N
N
N
N
H
N
H
H
N
O
|
Ki |
< |
1.0 |
nM |
419.53 |
Nc1nc(Nc2ccc([C@H]3CC[C@H](N4CCOCC4)CC3)cc2)nn1-c1ccccn1 |
Homo sapiens |
CHEMBL1840409 |
single protein format |
CHEMBL494821 |
OBDepict
H
2
N
N
N
CH
3
O
N
|
IC50 |
= |
1.0 |
nM |
348.45 |
Cc1ccn(CCC2CCCC2)c(=O)c1-c1ccc2nc(N)ncc2c1 |
Homo sapiens |
CHEMBL955806 |
single protein format |
CHEMBL1276980 |
OBDepict
F
HN
O
N
CH
3
H
O
N
HO
H
N
O
|
IC50 |
= |
1.0 |
nM |
454.5 |
Cc1c(/C=C2C(=O)Nc3ccc(F)cc32)[nH]c2c1C(=O)N(C[C@H](O)CN1CCOCC1)CC2 |
Homo sapiens |
CHEMBL1285787 |
single protein format |
CHEMBL1276891 |
OBDepict
F
NH
O
N
CH
3
H
O
N
N
O
|
IC50 |
= |
1.0 |
nM |
424.48 |
Cc1c(/C=C2C(=O)Nc3ccc(F)cc32)[nH]c2c1C(=O)N(CCN1CCOCC1)CC2 |
Homo sapiens |
CHEMBL1285787 |
single protein format |
CHEMBL1278234 |
OBDepict
H
3
C
N
CH
3
N
O
N
CH
3
H
O
NH
F
|
IC50 |
= |
1.0 |
nM |
382.44 |
Cc1c(/C=C2C(=O)Nc3ccc(F)cc32)[nH]c2c1C(=O)N(CCN(C)C)CC2 |
Homo sapiens |
CHEMBL1285787 |
single protein format |
CHEMBL2079588 |
OBDepict
CH
3
N
H
O
N
O
N
N
O
N
H
Cl
|
IC50 |
= |
1.0 |
nM |
409.83 |
CNC(=O)c1cc(COc2nnc(Nc3ccc(Cl)cc3)c3ccoc23)ccn1 |
Homo sapiens |
CHEMBL4839226 |
single protein format |
CHEMBL488984 |
OBDepict
NH
2
N
N
N
H
O
Cl
O
N
N
H
F
F
F
|
IC50 |
= |
1.0 |
nM |
448.79 |
Nc1ncc(NC(=O)c2c(Cl)ccc3c(Nc4cccc(C(F)(F)F)c4)noc23)cn1 |
Homo sapiens |
CHEMBL990799 |
single protein format |
CHEMBL248256 |
OBDepict
CH
3
NH
O
N
HN
N
H
O
O
O
F
F
|
IC50 |
= |
1.0 |
nM |
440.41 |
CC(=O)Nc1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1 |
Homo sapiens |
CHEMBL922915 |
single protein format |
CHEMBL490823 |
OBDepict
CH
3
N
H
O
N
N
H
O
Cl
O
N
N
H
F
F
F
|
IC50 |
= |
1.0 |
nM |
489.84 |
CC(=O)Nc1ccc(NC(=O)c2c(Cl)ccc3c(Nc4cccc(C(F)(F)F)c4)noc23)cn1 |
Homo sapiens |
CHEMBL990799 |
single protein format |
CHEMBL3628798 |
OBDepict
O
NH
N
H
Br
NH
N
N
S
|
IC50 |
= |
1.0 |
nM |
440.33 |
O=C(Nc1ccc(Nc2ncnc3sccc23)cc1)Nc1cccc(Br)c1 |
Homo sapiens |
CHEMBL3631063 |
single protein format |
CHEMBL4847875 |
OBDepict
O
N
H
HN
N
O
N
F
F
F
N
N
H
3
C
CH
3
|
IC50 |
= |
1.1 |
nM |
482.47 |
CN(C)c1ccc2c(Oc3ccc(NC(=O)NCc4ccc(C(F)(F)F)nc4)cc3)ncnc2c1 |
Homo sapiens |
CHEMBL4845025 |
single protein format |
CHEMBL2206278 |
OBDepict
H
3
C
N
CH
3
H
3
C
H
3
C
H
3
C
O
N
N
H
O
N
H
N
H
O
N
O
CH
3
H
3
C
CH
3
|
IC50 |
= |
1.2 |
nM |
562.72 |
CCN1C(C)(C)CC(Oc2ccc(C(=O)Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)nc2)CC1(C)C |
Homo sapiens |
CHEMBL2213409 |
cell-based format |
CHEMBL4074755 |
OBDepict
CH
3
HN
N
H
O
N
CH
3
N
N
H
|
IC50 |
= |
1.4 |
nM |
351.45 |
CCCCCCNC(=O)Nc1ccc(-c2ccnc3[nH]nc(C)c23)cc1 |
Homo sapiens |
CHEMBL4012622 |
single protein format |
CHEMBL2430262 |
OBDepict
OH
NH
O
CH
3
N
H
O
HN
F
|
IC50 |
= |
1.4 |
nM |
369.4 |
Cc1[nH]c2c(c1C(=O)NCCO)CCC/C2=C1/C(=O)Nc2ccc(F)cc21 |
Homo sapiens |
CHEMBL2434540 |
single protein format |
CHEMBL4860486 |
OBDepict
HO
O
N
N
N
N
NH
N
O
CH
3
|
IC50 |
= |
1.5 |
nM |
442.48 |
Cc1nc(-c2ccc(CNc3cc(-c4cnc5cc(OCCO)ccn45)ncn3)cc2)co1 |
Homo sapiens |
CHEMBL4825222 |
single protein format |
CHEMBL1173149 |
OBDepict
CH
3
O
N
H
N
H
O
N
H
O
N
H
|
IC50 |
= |
1.5 |
nM |
374.4 |
COc1ccc(NC(=O)Nc2ccc3c(c2)NC(=O)/C3=Cc2ccc[nH]2)cc1 |
Homo sapiens |
CHEMBL1176710 |
single protein format |
CHEMBL4101428 |
OBDepict
O
N
H
NH
N
H
3
C
N
N
H
|
IC50 |
= |
1.7 |
nM |
385.47 |
Cc1n[nH]c2nccc(-c3ccc(NC(=O)NCCCc4ccccc4)cc3)c12 |
Homo sapiens |
CHEMBL4012622 |
single protein format |
CHEMBL2336040 |
OBDepict
CH
3
O
N
H
O
CH
3
N
N
N
|
IC50 |
= |
1.9 |
nM |
382.42 |
COc1cccc(NC(=O)c2ccc(C)c(C#Cc3cnc4ccnn4c3)c2)c1 |
Homo sapiens |
CHEMBL2342534 |
single protein format |
CHEMBL4091975 |
OBDepict
O
N
H
HN
N
N
H
3
C
N
N
H
|
IC50 |
= |
1.9 |
nM |
394.44 |
Cc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cnc5ccccc5c4)cc3)c12 |
Homo sapiens |
CHEMBL4012622 |
single protein format |
CHEMBL487864 |
OBDepict
CH
3
NH
O
N
N
H
O
CH
3
HN
O
F
F
F
|
IC50 |
= |
2.0 |
nM |
456.42 |
CC(=O)Nc1ccc(NC(=O)c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)cn1 |
Homo sapiens |
CHEMBL946386 |
single protein format |
CHEMBL1278146 |
OBDepict
H
3
C
N
H
3
C
N
O
N
CH
3
H
O
NH
F
|
IC50 |
= |
2.0 |
nM |
410.49 |
CCN(CC)CCN1CCc2[nH]c(/C=C3C(=O)Nc4ccc(F)cc43)c(C)c2C1=O |
Homo sapiens |
CHEMBL1285787 |
single protein format |
CHEMBL523816 |
OBDepict
NH
2
N
N
H
O
Cl
O
N
N
H
F
F
F
|
IC50 |
= |
2.0 |
nM |
447.8 |
Nc1ccc(NC(=O)c2c(Cl)ccc3c(Nc4cccc(C(F)(F)F)c4)noc23)cn1 |
Homo sapiens |
CHEMBL990799 |
single protein format |
CHEMBL248051 |
OBDepict
O
N
H
N
H
O
O
F
F
N
O
H
2
N
|
IC50 |
= |
2.0 |
nM |
426.38 |
NC(=O)c1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1 |
Homo sapiens |
CHEMBL922915 |
single protein format |
CHEMBL2430258 |
OBDepict
F
N
H
O
N
H
H
3
C
N
H
O
N
O
|
IC50 |
= |
2.0 |
nM |
438.5 |
Cc1[nH]c2c(c1C(=O)NCCN1CCOCC1)CCC/C2=C1/C(=O)Nc2ccc(F)cc21 |
Homo sapiens |
CHEMBL2434540 |
single protein format |
CHEMBL4103605 |
OBDepict
O
N
H
N
H
CH
3
N
CH
3
N
N
H
|
IC50 |
= |
2.1 |
nM |
357.42 |
Cc1cccc(NC(=O)Nc2ccc(-c3ccnc4[nH]nc(C)c34)cc2)c1 |
Homo sapiens |
CHEMBL4012622 |
single protein format |
CHEMBL496494 |
OBDepict
H
2
N
N
N
H
3
C
O
N
CH
3
CH
3
CH
3
|
IC50 |
= |
2.1 |
nM |
384.48 |
Cc1ccn(-c2ccc(C(C)(C)C)cc2)c(=O)c1-c1ccc2nc(N)ncc2c1 |
Homo sapiens |
CHEMBL955806 |
single protein format |
CHEMBL2430251 |
OBDepict
F
N
H
O
N
H
CH
3
N
O
O
|
IC50 |
= |
2.1 |
nM |
395.43 |
Cc1[nH]c2c(c1C(=O)N1CCOCC1)CCC/C2=C1/C(=O)Nc2ccc(F)cc21 |
Homo sapiens |
CHEMBL2434540 |
single protein format |
CHEMBL4878220 |
OBDepict
N
N
HN
N
N
N
N
|
IC50 |
= |
2.2 |
nM |
367.42 |
c1ccn2c(-c3cc(NCc4ccc(-n5cccn5)cc4)ncn3)cnc2c1 |
Homo sapiens |
CHEMBL4825222 |
single protein format |
CHEMBL4852385 |
OBDepict
CH
3
O
N
O
N
N
N
N
NH
N
N
N
H
3
C
|
IC50 |
= |
2.2 |
nM |
553.67 |
COCCN1CCC(COc2ccn3c(-c4cc(NCc5ccc(-c6cnn(C)n6)cc5)ncn4)cnc3c2)CC1 |
Homo sapiens |
CHEMBL4825222 |
single protein format |
CHEMBL2430265 |
OBDepict
CH
3
N
H
3
C
NH
O
CH
3
N
H
O
HN
Br
|
IC50 |
= |
2.3 |
nM |
485.43 |
CCN(CC)CCNC(=O)c1c(C)[nH]c2c1CCC/C2=C1/C(=O)Nc2ccc(Br)cc21 |
Homo sapiens |
CHEMBL2434540 |
single protein format |
CHEMBL4097771 |
OBDepict
H
3
C
N
N
F
NH
O
CH
3
N
|
IC50 |
= |
2.3 |
nM |
442.54 |
Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(F)c2)cc1C#Cc1cccnc1 |
Homo sapiens |
CHEMBL4020520 |
single protein format |
CHEMBL4072731 |
OBDepict
O
NH
N
H
CH
3
N
O
N
H
3
C
N
N
H
|
IC50 |
= |
2.4 |
nM |
442.52 |
Cc1cc(NC(=O)Nc2ccc(-c3ccnc4[nH]nc(C)c34)cc2)ccc1N1CCOCC1 |
Homo sapiens |
CHEMBL4012622 |
single protein format |
CHEMBL4083050 |
OBDepict
OH
N
N
H
N
NH
N
H
O
CH
3
|
IC50 |
= |
2.4 |
nM |
373.42 |
Cc1cccc(NC(=O)Nc2ccc(-c3ccnc4[nH]nc(CO)c34)cc2)c1 |
Homo sapiens |
CHEMBL4012622 |
single protein format |
CHEMBL4085713 |
OBDepict
CH
3
N
N
F
F
F
N
H
O
H
3
C
N
N
N
|
IC50 |
= |
2.5 |
nM |
532.57 |
Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1ccn2cnnc2c1 |
Homo sapiens |
CHEMBL4020520 |
single protein format |
CHEMBL4070641 |
OBDepict
H
3
C
N
N
NH
O
CH
3
N
N
NH
2
|
IC50 |
= |
2.6 |
nM |
440.55 |
Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)cc1C#Cc1cnc(N)nc1 |
Homo sapiens |
CHEMBL4020520 |
single protein format |
CHEMBL4064941 |
OBDepict
O
N
H
HN
N
CH
3
H
3
C
N
H
3
C
N
N
H
|
IC50 |
= |
2.6 |
nM |
386.46 |
Cc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cccc(N(C)C)c4)cc3)c12 |
Homo sapiens |
CHEMBL4012622 |
single protein format |
CHEMBL2336035 |
OBDepict
CH
3
N
H
O
CH
3
N
N
N
|
IC50 |
= |
2.61 |
nM |
366.42 |
Cc1ccc(NC(=O)c2ccc(C)c(C#Cc3cnc4ccnn4c3)c2)cc1 |
Homo sapiens |
CHEMBL2342534 |
single protein format |
CHEMBL2430264 |
OBDepict
CH
3
N
H
3
C
NH
O
CH
3
N
H
O
HN
Cl
|
IC50 |
= |
2.7 |
nM |
440.98 |
CCN(CC)CCNC(=O)c1c(C)[nH]c2c1CCC/C2=C1/C(=O)Nc2ccc(Cl)cc21 |
Homo sapiens |
CHEMBL2434540 |
single protein format |
CHEMBL4846747 |
OBDepict
CH
3
N
N
N
N
H
N
N
N
N
O
N
|
IC50 |
= |
2.8 |
nM |
509.62 |
Cn1ncc(-c2ccc(CNc3cc(-c4cnc5cc(OCCCN6CCCC6)ccn45)ncn3)cc2)n1 |
Homo sapiens |
CHEMBL4825222 |
single protein format |
CHEMBL1276890 |
OBDepict
F
HN
O
N
H
3
C
H
O
N
N
|
IC50 |
= |
3.0 |
nM |
408.48 |
Cc1c(/C=C2C(=O)Nc3ccc(F)cc32)[nH]c2c1C(=O)N(CCN1CCCC1)CC2 |
Homo sapiens |
CHEMBL1285787 |
single protein format |
CHEMBL3904897 |
OBDepict
H
3
C
N
H
O
N
N
N
O
N
O
F
F
F
F
|
IC50 |
= |
3.0 |
nM |
475.4 |
Cc1ccc(-c2noc(COC3CC(F)(F)C3(F)F)n2)cc1NC(=O)c1cnc2ccccn12 |
Homo sapiens |
CHEMBL3887627 |
cell-based format |
CHEMBL489196 |
OBDepict
O
NH
Cl
O
N
N
N
H
F
F
F
|
IC50 |
= |
3.0 |
nM |
432.79 |
O=C(Nc1cccnc1)c1c(Cl)ccc2c(Nc3cccc(C(F)(F)F)c3)noc12 |
Homo sapiens |
CHEMBL990799 |
single protein format |
CHEMBL3335371 |
OBDepict
CH
3
HN
O
N
O
N
N
H
3
C
N
H
CH
3
H
3
C
CH
3
|
IC50 |
= |
3.0 |
nM |
429.52 |
CC(=O)Nc1cc(Oc2ccc3c(c2)nc(Nc2cccc(C(C)(C)C)c2)n3C)ccn1 |
Homo sapiens |
CHEMBL3636903 |
single protein format |
CHEMBL3628796 |
OBDepict
CH
3
O
O
CH
3
N
N
H
N
N
H
NH
O
Br
|
IC50 |
= |
3.0 |
nM |
494.35 |
COc1cc2ncnc(Nc3ccc(NC(=O)Nc4cccc(Br)c4)cc3)c2cc1OC |
Homo sapiens |
CHEMBL3631063 |
single protein format |
CHEMBL247618 |
OBDepict
H
3
C
N
H
O
N
N
H
S
N
H
O
O
O
F
F
|
IC50 |
= |
3.0 |
nM |
446.44 |
CNC(=O)c1cc(CNc2ccsc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1 |
Homo sapiens |
CHEMBL922915 |
single protein format |
CHEMBL399534 |
OBDepict
CH
3
NH
N
HN
N
H
O
O
O
F
F
|
IC50 |
= |
3.0 |
nM |
412.4 |
CNc1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1 |
Homo sapiens |
CHEMBL922915 |
single protein format |
CHEMBL246424 |
OBDepict
CH
3
HN
N
N
HN
N
H
O
O
O
F
F
|
IC50 |
= |
3.0 |
nM |
413.38 |
CNc1nccc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)n1 |
Homo sapiens |
CHEMBL922915 |
single protein format |
CHEMBL491429 |
OBDepict
O
NH
Cl
O
N
N
N
N
H
F
F
F
|
IC50 |
= |
3.0 |
nM |
433.78 |
O=C(Nc1cncnc1)c1c(Cl)ccc2c(Nc3cccc(C(F)(F)F)c3)noc12 |
Homo sapiens |
CHEMBL990799 |
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 |
CHEMBL1009185 |
single protein format |
CHEMBL2331602 |
OBDepict
CH
3
N
H
O
CH
3
N
N
N
|
IC50 |
= |
3.03 |
nM |
366.42 |
Cc1cccc(NC(=O)c2ccc(C)c(C#Cc3cnc4ccnn4c3)c2)c1 |
Homo sapiens |
CHEMBL2342534 |
single protein format |
CHEMBL1173411 |
OBDepict
CH
3
O
N
H
N
H
O
N
H
O
N
H
CH
3
O
HO
|
IC50 |
= |
3.1 |
nM |
432.44 |
COc1ccc(NC(=O)Nc2ccc3c(c2)NC(=O)/C3=Cc2[nH]cc(C(=O)O)c2C)cc1 |
Homo sapiens |
CHEMBL1176710 |
single protein format |
CHEMBL1173174 |
OBDepict
CH
3
O
N
H
N
H
O
N
H
O
N
CH
3
H
H
3
C
O
HO
|
IC50 |
= |
3.3 |
nM |
446.46 |
COc1ccc(NC(=O)Nc2ccc3c(c2)NC(=O)/C3=Cc2[nH]c(C)c(C(=O)O)c2C)cc1 |
Homo sapiens |
CHEMBL1176710 |
single protein format |
CHEMBL4092478 |
OBDepict
H
3
C
N
N
NH
O
CH
3
N
|
IC50 |
= |
3.3 |
nM |
424.55 |
Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)cc1C#Cc1cccnc1 |
Homo sapiens |
CHEMBL4020520 |
single protein format |
CHEMBL4861069 |
OBDepict
H
3
C
N
N
N
N
H
N
N
N
N
O
N
O
|
IC50 |
= |
3.3 |
nM |
523.6 |
Cn1ncc(-c2ccc(CNc3cc(-c4cnc5cc(OCCN6CC7(COC7)C6)ccn45)ncn3)cc2)n1 |
Homo sapiens |
CHEMBL4825222 |
single protein format |
CHEMBL254702 |
OBDepict
N
N
H
N
H
O
N
N
CH
3
N
H
3
C
|
IC50 |
= |
3.5 |
nM |
406.53 |
CC1CCN(c2cc(N3CCN(C)CC3)ccc2NC(=O)c2cc(C#N)c[nH]2)CC1 |
Homo sapiens |
CHEMBL927241 |
single protein format |
CHEMBL4063380 |
OBDepict
CH
3
HN
N
H
O
N
CH
3
N
N
H
|
IC50 |
= |
3.5 |
nM |
337.43 |
CCCCCNC(=O)Nc1ccc(-c2ccnc3[nH]nc(C)c23)cc1 |
Homo sapiens |
CHEMBL4012622 |
single protein format |
CHEMBL4099718 |
OBDepict
O
N
H
HN
N
H
3
C
N
N
H
|
IC50 |
= |
3.6 |
nM |
393.45 |
Cc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cccc5ccccc45)cc3)c12 |
Homo sapiens |
CHEMBL4012622 |
single protein format |
CHEMBL4059958 |
OBDepict
CH
3
HN
N
H
O
N
N
N
HO
H
|
IC50 |
= |
3.7 |
nM |
387.44 |
CCc1cccc(NC(=O)Nc2ccc(-c3ccnc4[nH]nc(CO)c34)cc2)c1 |
Homo sapiens |
CHEMBL4012622 |
single protein format |
CHEMBL4100492 |
OBDepict
O
N
H
HN
N
CH
3
N
N
H
|
IC50 |
= |
3.7 |
nM |
371.44 |
Cc1n[nH]c2nccc(-c3ccc(NC(=O)NCCc4ccccc4)cc3)c12 |
Homo sapiens |
CHEMBL4012622 |
single protein format |
CHEMBL4074518 |
OBDepict
CH
3
HN
N
H
O
N
CH
3
N
N
H
|
IC50 |
= |
3.9 |
nM |
371.44 |
CCc1cccc(NC(=O)Nc2ccc(-c3ccnc4[nH]nc(C)c34)cc2)c1 |
Homo sapiens |
CHEMBL4012622 |
single protein format |
CHEMBL535 |
OBDepict
H
3
C
N
CH
3
HN
O
H
3
C
CH
3
N
H
O
N
H
F
|
Ki |
= |
4.0 |
nM |
398.48 |
CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2C(=O)Nc3ccc(F)cc32)c1C |
Homo sapiens |
CHEMBL3296768 |
single protein format |
CHEMBL484885 |
OBDepict
O
HN
Cl
O
N
N
N
N
H
O
F
F
F
|
IC50 |
= |
4.0 |
nM |
449.78 |
O=C(Nc1cncnc1)c1c(Cl)ccc2c(Nc3cccc(OC(F)(F)F)c3)noc12 |
Homo sapiens |
CHEMBL990799 |
single protein format |
CHEMBL1277071 |
OBDepict
F
NH
O
N
CH
3
H
O
N
N
O
|
IC50 |
= |
4.0 |
nM |
438.5 |
Cc1c(/C=C2C(=O)Nc3ccc(F)cc32)[nH]c2c1C(=O)N(CCN1CCOCC1)CCC2 |
Homo sapiens |
CHEMBL1285787 |
single protein format |
CHEMBL4577779 |
OBDepict
CH
3
O
O
N
CH
3
O
N
H
O
Cl
F
F
F
|
IC50 |
= |
4.0 |
nM |
516.9 |
COc1cc2nccc(Oc3ccc(NC(=O)Cc4ccc(Cl)c(C(F)(F)F)c4)cc3)c2cc1OC |
Homo sapiens |
CHEMBL4361179 |
single protein format |
CHEMBL2105717 |
OBDepict
CH
3
O
O
CH
3
O
N
N
H
O
HN
O
F
|
IC50 |
= |
4.0 |
nM |
501.51 |
COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC |
Homo sapiens |
CHEMBL3372651 |
single protein format |
CHEMBL1835867 |
OBDepict
CH
3
N
N
H
N
N
N
H
2
N
N
|
IC50 |
= |
4.0 |
nM |
349.44 |
CN1CCC(c2ccc(Nc3nc(N)n(-c4ccccn4)n3)cc2)CC1 |
Homo sapiens |
CHEMBL1958983 |
single protein format |
CHEMBL1835870 |
OBDepict
NH
2
N
N
N
N
H
N
H
H
N
O
|
IC50 |
= |
4.0 |
nM |
419.53 |
Nc1nc(Nc2ccc([C@H]3CC[C@H](N4CCOCC4)CC3)cc2)nn1-c1ccccn1 |
Homo sapiens |
CHEMBL1959135 |
cell-based format |
CHEMBL247798 |
OBDepict
CH
3
HN
NH
O
N
HN
N
S
NH
O
O
O
F
F
|
IC50 |
= |
4.0 |
nM |
476.47 |
CCNC(=O)Nc1ccc(CNc2ncsc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)cn1 |
Homo sapiens |
CHEMBL922915 |
single protein format |
CHEMBL445636 |
OBDepict
H
3
C
O
O
N
N
N
N
N
HN
O
CH
3
N
|
IC50 |
= |
4.0 |
nM |
543.67 |
COc1cc2c(N3CCN(C(=O)Nc4ccc(C#N)cc4)CC3)ncnc2cc1OCCCN1CCC(C)CC1 |
Homo sapiens |
CHEMBL766073 |
cell-based format |
CHEMBL247423 |
OBDepict
OH
O
HN
N
HN
NH
O
O
O
F
F
|
IC50 |
= |
4.0 |
nM |
486.48 |
O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccccc1NCc1ccnc(NCCOCCO)c1 |
Homo sapiens |
CHEMBL922915 |
single protein format |
CHEMBL269894 |
OBDepict
H
3
C
O
N
H
N
H
O
H
2
N
N
O
|
IC50 |
= |
4.0 |
nM |
374.4 |
COc1cccc(NC(=O)Nc2ccc(-c3cccc4onc(N)c34)cc2)c1 |
Homo sapiens |
CHEMBL949292 |
single protein format |
CHEMBL1276981 |
OBDepict
CH
3
N
CH
3
N
O
N
H
3
C
H
O
HN
F
|
IC50 |
= |
4.0 |
nM |
424.52 |
CCN(CC)CCN1CCCc2[nH]c(/C=C3C(=O)Nc4ccc(F)cc43)c(C)c2C1=O |
Homo sapiens |
CHEMBL1285787 |
single protein format |
CHEMBL400109 |
OBDepict
NH
2
N
HN
N
H
O
O
O
F
F
|
IC50 |
= |
4.0 |
nM |
398.37 |
Nc1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1 |
Homo sapiens |
CHEMBL922915 |
single protein format |
CHEMBL488985 |
OBDepict
CH
3
N
H
O
N
N
N
H
O
Cl
O
N
N
H
F
F
F
|
IC50 |
= |
4.0 |
nM |
490.83 |
CC(=O)Nc1ncc(NC(=O)c2c(Cl)ccc3c(Nc4cccc(C(F)(F)F)c4)noc23)cn1 |
Homo sapiens |
CHEMBL990799 |
single protein format |
CHEMBL1278233 |
OBDepict
H
3
C
N
H
3
C
N
O
N
CH
3
H
O
NH
Br
|
IC50 |
= |
4.0 |
nM |
471.4 |
CCN(CC)CCN1CCc2[nH]c(/C=C3C(=O)Nc4ccc(Br)cc43)c(C)c2C1=O |
Homo sapiens |
CHEMBL1285787 |
single protein format |
CHEMBL1278147 |
OBDepict
H
3
C
N
H
3
C
N
O
N
CH
3
H
O
NH
Cl
|
IC50 |
= |
4.0 |
nM |
426.95 |
CCN(CC)CCN1CCc2[nH]c(/C=C3C(=O)Nc4ccc(Cl)cc43)c(C)c2C1=O |
Homo sapiens |
CHEMBL1285787 |
single protein format |
CHEMBL2430266 |
OBDepict
CH
3
N
H
3
C
NH
O
CH
3
N
H
O
HN
CH
3
|
IC50 |
= |
4.1 |
nM |
420.56 |
CCN(CC)CCNC(=O)c1c(C)[nH]c2c1CCC/C2=C1/C(=O)Nc2ccc(C)cc21 |
Homo sapiens |
CHEMBL2434540 |
single protein format |
CHEMBL2430250 |
OBDepict
CH
3
N
CH
3
OH
NH
O
CH
3
N
H
O
HN
F
|
IC50 |
= |
4.1 |
nM |
454.55 |
CCN(CC)CC(O)CNC(=O)c1c(C)[nH]c2c1CCC/C2=C1/C(=O)Nc2ccc(F)cc21 |
Homo sapiens |
CHEMBL2434540 |
single protein format |
CHEMBL1969102 |
OBDepict
O
N
H
N
H
CH
3
S
NH
2
N
N
N
H
|
IC50 |
= |
4.28 |
nM |
440.53 |
Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cn[nH]c5)cnc(N)c34)cc2)c1 |
Homo sapiens |
CHEMBL3707806 |
single protein format |
CHEMBL4854815 |
OBDepict
CH
3
O
N
N
N
N
NH
N
N
N
H
3
C
|
IC50 |
= |
4.4 |
nM |
412.46 |
COc1ccn2c(-c3cc(NCc4ccc(-c5cnn(C)n5)cc4)ncn3)cnc2c1 |
Homo sapiens |
CHEMBL4825222 |
single protein format |
CHEMBL4779315 |
OBDepict
H
3
C
O
O
H
3
C
O
N
F
N
H
O
O
CH
3
CH
3
H
3
C
O
F
|
IC50 |
= |
4.42 |
nM |
550.56 |
COc1cc2nccc(Oc3ccc(NC(=O)C(OC(=O)c4ccc(F)cc4)C(C)(C)C)cc3F)c2cc1OC |
Homo sapiens |
CHEMBL4686389 |
single protein format |
CHEMBL2403878 |
OBDepict
O
HN
N
H
Cl
F
F
F
N
H
N
N
+
N
O
_
O
|
IC50 |
= |
4.5 |
nM |
502.84 |
O=C(Nc1ccc(Nc2ncnc3ccc([N+](=O)[O-])cc23)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 |
Homo sapiens |
CHEMBL2406230 |
single protein format |
CHEMBL1173541 |
OBDepict
CH
3
O
N
H
N
H
O
N
H
O
N
H
CH
3
H
3
C
O
HO
|
IC50 |
= |
4.5 |
nM |
474.52 |
COc1ccc(NC(=O)Nc2ccc3c(c2)NC(=O)/C3=Cc2[nH]c(C)c(CCC(=O)O)c2C)cc1 |
Homo sapiens |
CHEMBL1176710 |
single protein format |
CHEMBL2336037 |
OBDepict
Cl
N
H
O
CH
3
N
N
N
|
IC50 |
= |
4.89 |
nM |
386.84 |
Cc1ccc(C(=O)Nc2cccc(Cl)c2)cc1C#Cc1cnc2ccnn2c1 |
Homo sapiens |
CHEMBL2342534 |
single protein format |
CHEMBL1171837 |
OBDepict
H
3
C
N
N
F
F
F
N
H
O
CH
3
N
N
N
|
IC50 |
= |
4.9 |
nM |
532.57 |
Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12 |
Homo sapiens |
CHEMBL2406228 |
single protein format |
CHEMBL2158300 |
OBDepict
N
N
N
H
N
H
O
N
O
H
2
N
H
3
C
CH
3
|
IC50 |
= |
5.0 |
nM |
474.61 |
CC(C)(N)CC(=O)N1CCC(c2ccc(NC(=O)c3ncc(C#N)[nH]3)c(C3=CCCCC3)c2)CC1 |
Homo sapiens |
CHEMBL3705208 |
single protein format |
CHEMBL269885 |
OBDepict
CH
3
O
N
H
N
H
O
NH
2
N
O
|
IC50 |
= |
5.0 |
nM |
374.4 |
COc1ccc(NC(=O)Nc2ccc(-c3cccc4onc(N)c34)cc2)cc1 |
Homo sapiens |
CHEMBL949292 |
single protein format |
CHEMBL272645 |
OBDepict
O
NH
N
H
H
3
C
H
2
N
N
O
|
IC50 |
= |
5.0 |
nM |
358.4 |
Cc1ccc(NC(=O)Nc2ccc(-c3cccc4onc(N)c34)cc2)cc1 |
Homo sapiens |
CHEMBL949292 |
single protein format |
CHEMBL374752 |
OBDepict
O
N
H
N
H
CH
3
NH
2
N
N
F
H
|
IC50 |
= |
5.0 |
nM |
375.41 |
Cc1cccc(NC(=O)Nc2ccc(-c3ccc(F)c4[nH]nc(N)c34)cc2)c1 |
Homo sapiens |
CHEMBL920441 |
single protein format |
CHEMBL1908842 |
OBDepict
N
N
N
H
N
H
O
N
O
N
H
3
C
CH
3
|
IC50 |
= |
5.0 |
nM |
460.58 |
CN(C)CC(=O)N1CCC(c2ccc(NC(=O)c3nc(C#N)c[nH]3)c(C3=CCCCC3)c2)CC1 |
Homo sapiens |
CHEMBL2161433 |
single protein format |
CHEMBL2180602 |
OBDepict
CH
3
N
H
3
C
NH
O
CH
3
N
H
O
HN
F
|
IC50 |
= |
5.0 |
nM |
424.52 |
CCN(CC)CCNC(=O)c1c(C)[nH]c2c1CCC/C2=C1/C(=O)Nc2ccc(F)cc21 |
Homo sapiens |
CHEMBL2186463 |
single protein format |
CHEMBL1421 |
OBDepict
HO
N
N
N
N
N
H
CH
3
N
S
N
H
O
H
3
C
Cl
|
IC50 |
= |
5.0 |
nM |
488.02 |
Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1 |
Homo sapiens |
CHEMBL914498 |
single protein format |
CHEMBL247250 |
OBDepict
CH
3
N
H
HN
O
N
N
H
N
S
N
H
O
O
O
F
F
|
IC50 |
= |
5.0 |
nM |
462.44 |
CNC(=O)Nc1ccc(CNc2ncsc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)cn1 |
Homo sapiens |
CHEMBL922915 |
single protein format |
CHEMBL247437 |
OBDepict
CH
3
N
H
O
N
HN
N
H
O
O
O
F
F
|
IC50 |
= |
5.0 |
nM |
440.41 |
CNC(=O)c1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1 |
Homo sapiens |
CHEMBL922915 |
single protein format |
CHEMBL394503 |
OBDepict
CH
3
NH
NH
O
N
HN
N
H
O
O
O
F
F
|
IC50 |
= |
5.0 |
nM |
455.42 |
CNC(=O)Nc1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1 |
Homo sapiens |
CHEMBL922915 |
single protein format |
CHEMBL519520 |
OBDepict
O
N
H
Cl
O
N
N
N
N
H
H
3
C
H
3
C
H
3
C
|
IC50 |
= |
5.0 |
nM |
421.89 |
CC(C)(C)c1cccc(Nc2noc3c(C(=O)Nc4cncnc4)c(Cl)ccc23)c1 |
Homo sapiens |
CHEMBL990799 |
single protein format |
CHEMBL272902 |
OBDepict
H
2
N
N
N
N
H
O
CH
3
N
H
O
F
F
F
|
IC50 |
= |
5.0 |
nM |
415.38 |
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(N)nc1 |
Homo sapiens |
CHEMBL946386 |
single protein format |