molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL439678 |
|
Ki |
= |
0.29 |
nM |
370.88 |
Clc1cccc(Cc2nc3c(NCCC4CCCCN4)nccc3o2)c1 |
Homo sapiens |
CHEMBL884761 |
single protein format |
CHEMBL105819 |
OBDepict
O
NH
H
N
O
N
CH
3
H
H
2
N
NH
2
HN
O
OH
H
3
C
+
N
CH
3
H
O
_
O
|
IC50 |
= |
0.7 |
nM |
555.64 |
CC(O)[C@@H](C(=O)N[C@H](C)c1ccccc1)N(C)C(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)CCCN=C(N)N |
Homo sapiens |
CHEMBL847118 |
single protein format |
CHEMBL92615 |
OBDepict
H
3
C
N
H
HN
N
O
O
N
Cl
O
N
H
Cl
|
Ki |
= |
3.0 |
nM |
558.51 |
CN1CCCCCOc2ccc(Cl)cc2CNC(=O)Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)C1 |
Homo sapiens |
CHEMBL808464 |
single protein format |
CHEMBL290376 |
OBDepict
CH
3
NH
O
H
N
O
H
HN
O
B
H
HO
OH
N
H
2
N
NH
2
|
Ki |
= |
5.7 |
nM |
460.34 |
CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)B(O)O |
Homo sapiens |
CHEMBL847428 |
single protein format |
CHEMBL94952 |
OBDepict
O
O
HN
H
HN
O
N
O
N
Cl
NH
O
Cl
|
Ki |
= |
6.0 |
nM |
572.45 |
O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNC(=O)OC/C=CCOc2ccc(Cl)cc2CN1 |
Homo sapiens |
CHEMBL808464 |
single protein format |
CHEMBL418965 |
OBDepict
Cl
O
N
H
O
N
Cl
O
N
H
N
HN
H
|
Ki |
= |
6.0 |
nM |
544.48 |
O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNCCCCCOc2ccc(Cl)cc2CN1 |
Homo sapiens |
CHEMBL808464 |
single protein format |
CHEMBL94775 |
OBDepict
_
O
+
N
O
OH
N
H
HN
NH
2
|
Ki |
= |
19.0 |
nM |
372.38 |
N=C(N)c1ccc2[nH]c(-c3cc([N+](=O)[O-])cc(-c4ccccc4)c3O)cc2c1 |
Homo sapiens |
CHEMBL847816 |
single protein format |
CHEMBL316901 |
OBDepict
O
NH
N
Cl
O
O
N
HN
Cl
H
HN
|
Ki |
= |
20.0 |
nM |
530.46 |
O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNCCCCOc2ccc(Cl)cc2CN1 |
Homo sapiens |
CHEMBL808464 |
single protein format |
CHEMBL273196 |
OBDepict
O
NH
H
O
H
N
N
O
NH
2
H
2
N
N
H
H
CH
3
|
IC50 |
= |
34.0 |
nM |
416.53 |
CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CCCN=C(N)N |
Homo sapiens |
CHEMBL815715 |
single protein format |
CHEMBL96433 |
OBDepict
OH
N
H
NH
NH
2
|
Ki |
= |
35.0 |
nM |
327.39 |
N=C(N)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3O)cc2c1 |
Homo sapiens |
CHEMBL847817 |
single protein format |
CHEMBL59704 |
OBDepict
OH
O
N
H
NH
NH
2
|
Ki |
= |
35.0 |
nM |
343.39 |
N=C(N)c1ccc2[nH]c(-c3cccc(Oc4ccccc4)c3O)cc2c1 |
Homo sapiens |
CHEMBL815720 |
single protein format |
CHEMBL357079 |
OBDepict
O
H
2
N
NH
2
NH
2
NH
2
|
Ki |
= |
35.0 |
nM |
376.5 |
NC(N)c1ccc(/C=C2CCCC/C(=Cc3ccc(C(N)N)cc3)C2=O)cc1 |
Homo sapiens |
CHEMBL815718 |
single protein format |
CHEMBL95940 |
OBDepict
O
NH
N
B
H
CH
3
OH
OH
O
N
NH
2
NH
2
|
Ki |
= |
51.0 |
nM |
377.25 |
CN(CC(=O)N[C@@H](CCCN=C(N)N)B(O)O)C(=O)CCc1ccccc1 |
Homo sapiens |
CHEMBL847428 |
single protein format |
CHEMBL372194 |
OBDepict
H
3
C
O
O
N
NH
N
N
O
N
Cl
N
N
|
Ki |
= |
67.0 |
nM |
524.03 |
CCOC(=O)CN1CCCCC1CCNc1nccc2oc(Cc3cc(Cl)ccc3-n3cncn3)nc12 |
Homo sapiens |
CHEMBL884761 |
single protein format |
CHEMBL208140 |
OBDepict
H
N
H
N
O
H
O
OH
HN
O
S
HN
H
2
N
|
IC50 |
= |
70.0 |
nM |
461.59 |
N=C(N)c1ccc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(=O)O)s1 |
Homo sapiens |
CHEMBL865716 |
single protein format |
CHEMBL27852 |
OBDepict
H
2
N
N
H
NH
NH
H
O
N
S
O
H
N
H
2
N
|
IC50 |
= |
93.0 |
nM |
547.73 |
N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCC2CC[C@@](N)(Cc3ccccc3)CN21)C(=O)c1nc2ccccc2s1 |
Homo sapiens |
CHEMBL815708 |
single protein format |
CHEMBL91962 |
OBDepict
Br
OH
N
H
HN
NH
2
|
Ki |
= |
94.0 |
nM |
406.28 |
N=C(N)c1ccc2[nH]c(-c3cc(Br)cc(-c4ccccc4)c3O)cc2c1 |
Homo sapiens |
CHEMBL847817 |
single protein format |
CHEMBL197843 |
OBDepict
HO
N
NH
N
N
O
N
Cl
N
N
|
Ki |
= |
96.0 |
nM |
481.99 |
OCCN1CCCCC1CCNc1nccc2oc(Cc3cc(Cl)ccc3-n3cncn3)nc12 |
Homo sapiens |
CHEMBL884761 |
single protein format |
CHEMBL198978 |
OBDepict
Cl
N
N
N
O
N
NH
N
N
|
Ki |
= |
100.0 |
nM |
528.06 |
Clc1ccc(-n2cncn2)c(Cc2nc3c(NCCC4CCCCN4Cc4ccccc4)nccc3o2)c1 |
Homo sapiens |
CHEMBL884761 |
single protein format |
CHEMBL265315 |
OBDepict
Cl
HN
H
O
H
N
N
O
H
2
N
NH
2
NH
2
H
|
Ki |
= |
106.0 |
nM |
422.96 |
NC(N)=NCCC[C@@H](CCl)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1 |
Homo sapiens |
CHEMBL815713 |
single protein format |
CHEMBL52427 |
OBDepict
CH
3
OH
N
H
NH
H
2
N
|
Ki |
= |
110.0 |
nM |
341.41 |
Cc1cc(-c2ccccc2)c(O)c(-c2cc3cc(C(=N)N)ccc3[nH]2)c1 |
Homo sapiens |
CHEMBL847817 |
single protein format |
CHEMBL197593 |
OBDepict
HO
O
N
NH
N
N
O
N
Cl
N
N
|
Ki |
= |
110.0 |
nM |
495.97 |
O=C(O)CN1CCCCC1CCNc1nccc2oc(Cc3cc(Cl)ccc3-n3cncn3)nc12 |
Homo sapiens |
CHEMBL884761 |
single protein format |
CHEMBL339902 |
OBDepict
OH
N
H
Cl
NH
H
2
N
|
Ki |
= |
110.0 |
nM |
361.83 |
N=C(N)c1cc2cc(-c3cccc(-c4ccccc4)c3O)[nH]c2cc1Cl |
Homo sapiens |
CHEMBL847108 |
single protein format |
CHEMBL2419745 |
OBDepict
OH
O
HN
H
N
O
H
NH
O
S
NH
H
2
N
|
Ki |
= |
113.0 |
nM |
533.65 |
N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](NCC(=O)O)C(c2ccccc2)c2ccccc2)s1 |
Homo sapiens |
CHEMBL2424098 |
single protein format |
CHEMBL135723 |
OBDepict
I
O
O
HN
NH
NH
2
|
Ki |
= |
120.0 |
nM |
385.2 |
N=C(N)NCc1ccc(C2CC/C(=C/I)OC2=O)cc1 |
Homo sapiens |
CHEMBL812480 |
single protein format |
CHEMBL206205 |
OBDepict
H
N
H
N
O
H
O
OH
HN
O
O
HN
H
2
N
|
IC50 |
= |
125.0 |
nM |
445.52 |
N=C(N)c1coc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(=O)O)c1 |
Homo sapiens |
CHEMBL865716 |
single protein format |
CHEMBL421214 |
OBDepict
CH
3
O
CH
3
HN
O
O
NH
H
2
N
|
Ki |
= |
130.0 |
nM |
417.51 |
CC(C)Oc1cccc(NC(=O)c2cc(C3CCOC3)c3cc(C(=N)N)ccc3c2)c1 |
Homo sapiens |
CHEMBL815712 |
single protein format |
CHEMBL426101 |
OBDepict
Cl
N
N
O
N
N
HN
N
N
H
|
Ki |
= |
140.0 |
nM |
437.94 |
Clc1ccc(-n2cncn2)c(Cc2nc3c(NCCC4CCCCN4)nccc3o2)c1 |
Homo sapiens |
CHEMBL884761 |
single protein format |
CHEMBL96354 |
OBDepict
Cl
O
N
H
O
O
N
Cl
O
N
H
N
HN
H
|
Ki |
= |
150.0 |
nM |
546.46 |
O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNCCOCCOc2ccc(Cl)cc2CN1 |
Homo sapiens |
CHEMBL808464 |
single protein format |
CHEMBL355376 |
OBDepict
H
2
N
N
H
HN
NH
O
N
S
O
N
O
N
S
O
O
N
|
IC50 |
= |
150.0 |
nM |
572.67 |
N=C(N)NCCCC(NC(=O)CN1CCN(S(=O)(=O)c2cccc3cccnc23)CC1=O)C(=O)c1nccs1 |
Homo sapiens |
CHEMBL813531 |
single protein format |
CHEMBL92883 |
OBDepict
Cl
OH
N
H
HN
NH
2
|
Ki |
= |
160.0 |
nM |
361.83 |
N=C(N)c1ccc2[nH]c(-c3cc(Cl)cc(-c4ccccc4)c3O)cc2c1 |
Homo sapiens |
CHEMBL847817 |
single protein format |
CHEMBL381709 |
OBDepict
H
N
H
N
O
H
O
OH
HN
O
S
N
HN
H
2
N
|
IC50 |
= |
173.0 |
nM |
462.58 |
N=C(N)c1csc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(=O)O)n1 |
Homo sapiens |
CHEMBL865716 |
single protein format |
CHEMBL319047 |
OBDepict
O
NH
O
NH
NH
2
|
Ki |
= |
180.0 |
nM |
355.4 |
N=C(N)c1ccc2cc(C(=O)Nc3ccccc3)cc(-c3ccoc3)c2c1 |
Homo sapiens |
CHEMBL815712 |
single protein format |
CHEMBL127278 |
OBDepict
OH
N
H
CH
3
NH
NH
2
|
Ki |
= |
210.0 |
nM |
341.41 |
Cc1cc2[nH]c(-c3cccc(-c4ccccc4)c3O)cc2cc1C(=N)N |
Homo sapiens |
CHEMBL847108 |
single protein format |
CHEMBL198735 |
OBDepict
Cl
N
N
O
N
N
N
N
H
F
F
NH
|
Ki |
= |
240.0 |
nM |
473.92 |
FC(F)(CNc1nccc2oc(Cc3cc(Cl)ccc3-n3cncn3)nc12)C1CCCCN1 |
Homo sapiens |
CHEMBL884761 |
single protein format |
CHEMBL64097 |
OBDepict
CH
3
I
OH
NH
O
HN
NH
2
|
Ki |
= |
240.0 |
nM |
395.2 |
Cc1cc(I)c(O)c(C(=O)Nc2ccc(C(=N)N)cc2)c1 |
Homo sapiens |
CHEMBL815721 |
single protein format |
CHEMBL92251 |
OBDepict
Cl
OH
N
N
H
HN
NH
2
|
Ki |
= |
280.0 |
nM |
362.82 |
N=C(N)c1ccc2[nH]c(-c3cc(Cl)cc(-c4ccccc4)c3O)nc2c1 |
Homo sapiens |
CHEMBL847817 |
single protein format |
CHEMBL101759 |
OBDepict
NH
2
B
N
H
H
HO
OH
O
N
O
|
Ki |
= |
280.0 |
nM |
411.31 |
NCCCC[C@H](NC(=O)CN(C(=O)CCc1ccccc1)c1ccccc1)B(O)O |
Homo sapiens |
CHEMBL847428 |
single protein format |
CHEMBL370396 |
OBDepict
F
F
N
NH
N
N
O
N
Cl
N
N
|
Ki |
= |
290.0 |
nM |
501.97 |
FC(F)CN1CCCCC1CCNc1nccc2oc(Cc3cc(Cl)ccc3-n3cncn3)nc12 |
Homo sapiens |
CHEMBL883030 |
single protein format |
CHEMBL127909 |
OBDepict
OH
N
H
F
NH
H
2
N
|
Ki |
= |
350.0 |
nM |
345.38 |
N=C(N)c1cc2cc(-c3cccc(-c4ccccc4)c3O)[nH]c2cc1F |
Homo sapiens |
CHEMBL847108 |
single protein format |
CHEMBL61327 |
OBDepict
CH
3
Br
OH
NH
O
HN
NH
2
|
Ki |
= |
360.0 |
nM |
348.2 |
Cc1cc(Br)c(O)c(C(=O)Nc2ccc(C(=N)N)cc2)c1 |
Homo sapiens |
CHEMBL815721 |
single protein format |
CHEMBL330572 |
OBDepict
O
N
H
HN
S
O
O
S
N
HO
NH
H
2
N
|
Ki |
= |
360.0 |
nM |
445.53 |
N=C(N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4ncccc4s3)C2=O)c1 |
Homo sapiens |
CHEMBL812483 |
single protein format |
CHEMBL329266 |
OBDepict
O
HN
N
Cl
O
O
N
NH
H
N
H
|
Ki |
= |
360.0 |
nM |
510.04 |
O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNCCCCCOc2ccccc2CN1 |
Homo sapiens |
CHEMBL808464 |
single protein format |
CHEMBL328772 |
OBDepict
NH
2
NH
N
H
OH
Br
|
Ki |
= |
380.0 |
nM |
330.19 |
N=C(N)c1ccc2[nH]c(-c3cccc(Br)c3O)cc2c1 |
Homo sapiens |
CHEMBL847817 |
single protein format |
CHEMBL116137 |
OBDepict
O
O
N
N
H
O
O
F
F
F
F
F
F
|
IC50 |
= |
390.0 |
nM |
538.44 |
O=c1[nH]c(=O)n(C(CCc2ccc(OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)c2ccccc2)o1 |
Homo sapiens |
CHEMBL812494 |
single protein format |
CHEMBL420540 |
OBDepict
OH
O
HN
H
N
O
H
NH
O
S
NH
H
2
N
|
Ki |
= |
433.0 |
nM |
533.65 |
N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NCC(=O)O)C(c2ccccc2)c2ccccc2)s1 |
Homo sapiens |
CHEMBL814420 |
single protein format |
CHEMBL48608 |
OBDepict
CH
3
Br
HO
N
H
HN
NH
2
|
Ki |
= |
460.0 |
nM |
344.21 |
Cc1cc(Br)c(O)c(-c2cc3cc(C(=N)N)ccc3[nH]2)c1 |
Homo sapiens |
CHEMBL847816 |
single protein format |
CHEMBL4281179 |
OBDepict
NH
2
O
CH
3
N
F
O
F
H
CH
3
H
3
C
CH
3
O
HO
|
IC50 |
= |
470.0 |
nM |
456.49 |
Cc1cc(Oc2nc(O[C@@H](C(=O)O)C(C)(C)C)c(F)cc2F)cc(-c2cccc(CN)c2)c1 |
Homo sapiens |
CHEMBL4267486 |
single protein format |
CHEMBL94864 |
OBDepict
O
O
HN
H
HN
O
N
O
N
Cl
NH
O
Cl
|
Ki |
= |
480.0 |
nM |
572.45 |
O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNC(=O)OC/C=C/COc2ccc(Cl)cc2CN1 |
Homo sapiens |
CHEMBL808464 |
single protein format |
CHEMBL282830 |
OBDepict
H
2
N
N
H
NH
NH
H
O
N
S
O
H
N
N
H
2
N
|
IC50 |
= |
495.0 |
nM |
548.72 |
N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)CN12)C(=O)c1nc2ccccc2s1 |
Homo sapiens |
CHEMBL815708 |
single protein format |
CHEMBL377681 |
OBDepict
OH
O
N
H
H
N
O
H
N
H
O
N
NH
NH
2
|
IC50 |
= |
540.0 |
nM |
456.55 |
N=C(N)c1ccc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(=O)O)cn1 |
Homo sapiens |
CHEMBL865716 |
single protein format |
CHEMBL64579 |
OBDepict
OH
O
N
H
NH
NH
2
|
Ki |
= |
590.0 |
nM |
335.41 |
N=C(N)c1ccc2[nH]c(-c3cccc(OC4CCCC4)c3O)cc2c1 |
Homo sapiens |
CHEMBL815720 |
single protein format |
CHEMBL284436 |
OBDepict
Cl
N
H
H
O
H
N
HN
N
NH
NH
2
H
2
N
|
Ki |
= |
632.0 |
nM |
436.0 |
N=C(N)NCCC[C@@H](CCl)NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)CN12 |
Homo sapiens |
CHEMBL815714 |
single protein format |
CHEMBL327421 |
OBDepict
O
HN
N
Cl
O
N
NH
N
H
H
N
H
|
Ki |
= |
640.0 |
nM |
509.05 |
O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNCCCNCCc2ccccc2CN1 |
Homo sapiens |
CHEMBL808464 |
single protein format |
CHEMBL570867 |
OBDepict
O
N
H
NH
N
O
N
N
H
O
N
O
H
3
C
N
O
H
3
C
H
3
C
|
Ki |
= |
665.0 |
nM |
587.68 |
Cc1cc2cc(N/C(=NC(=O)c3ccc(C(=O)N(C)C)nc3)N[C@H]3CCCCN(CC(=O)N4CCCC4)C3=O)ccc2o1 |
Homo sapiens |
CHEMBL1038113 |
single protein format |
CHEMBL115982 |
OBDepict
Cl
O
N
O
O
N
O
H
|
IC50 |
= |
680.0 |
nM |
436.89 |
O=c1[nH]c(=O)n(C(CCc2ccc(OCc3cccc(Cl)c3)cc2)c2ccccc2)o1 |
Homo sapiens |
CHEMBL812494 |
single protein format |
CHEMBL104166 |
OBDepict
H
2
N
NH
O
N
H
N
N
NH
NH
2
|
Ki |
= |
680.0 |
nM |
411.47 |
N=C(N)c1ccc2cc(C(=O)Nc3ccc(CN)cc3)cc(Nc3ncccn3)c2c1 |
Homo sapiens |
CHEMBL815712 |
single protein format |
CHEMBL99309 |
OBDepict
H
2
N
B
HN
H
OH
HO
O
N
O
|
Ki |
= |
680.0 |
nM |
439.37 |
NCCCC[C@H](NC(=O)CN(CCc1ccccc1)C(=O)CCc1ccccc1)B(O)O |
Homo sapiens |
CHEMBL847428 |
single protein format |
CHEMBL207981 |
OBDepict
HO
O
N
H
N
O
H
N
H
O
S
CH
3
HN
NH
2
|
IC50 |
= |
687.0 |
nM |
475.62 |
Cc1cc(CNC(=O)[C@@H]2C=CCN2C(=O)C(CC2CCCCC2)NCC(=O)O)sc1C(=N)N |
Homo sapiens |
CHEMBL865716 |
single protein format |
CHEMBL303992 |
OBDepict
OH
O
N
N
H
NH
NH
2
|
Ki |
= |
690.0 |
nM |
336.4 |
N=C(N)c1ccc2[nH]c(-c3cccc(OC4CCCC4)c3O)nc2c1 |
Homo sapiens |
CHEMBL815720 |
single protein format |
CHEMBL330234 |
OBDepict
Br
Br
OH
N
H
NH
NH
2
|
Ki |
= |
690.0 |
nM |
409.08 |
N=C(N)c1ccc2[nH]c(-c3cc(Br)cc(Br)c3O)cc2c1 |
Homo sapiens |
CHEMBL847817 |
single protein format |
CHEMBL317137 |
OBDepict
NH
2
B
N
H
H
OH
OH
O
N
O
|
Ki |
= |
750.0 |
nM |
375.28 |
NCCCC[C@H](NC(=O)CN(C(=O)CCc1ccccc1)C1CC1)B(O)O |
Homo sapiens |
CHEMBL847428 |
single protein format |
CHEMBL111543 |
OBDepict
CH
3
O
CH
3
NH
O
O
CH
3
H
3
C
NH
H
2
N
|
Ki |
= |
790.0 |
nM |
405.5 |
CC(C)Oc1cc(NC(=O)c2ccc3cc(C(=N)N)ccc3c2)cc(OC(C)C)c1 |
Homo sapiens |
CHEMBL814417 |
single protein format |
CHEMBL104505 |
OBDepict
O
N
H
HN
N
N
HN
NH
2
|
Ki |
= |
810.0 |
nM |
382.43 |
N=C(N)c1ccc2cc(C(=O)Nc3ccccc3)cc(Nc3ncccn3)c2c1 |
Homo sapiens |
CHEMBL815712 |
single protein format |
CHEMBL197984 |
OBDepict
F
F
HN
HN
N
N
O
N
N
N
|
Ki |
= |
840.0 |
nM |
439.47 |
FC(F)(CNc1nccc2oc(Cc3ccccc3-n3cncn3)nc12)C1CCCCN1 |
Homo sapiens |
CHEMBL884761 |
single protein format |
CHEMBL418839 |
OBDepict
H
3
C
O
CH
3
O
N
H
O
NH
H
2
N
|
Ki |
= |
844.0 |
nM |
431.54 |
CC(C)Oc1cc(NC(=O)c2ccc3cc(C(=N)N)ccc3c2)cc(OC2CCCC2)c1 |
Homo sapiens |
CHEMBL814417 |
single protein format |
CHEMBL105395 |
OBDepict
O
HN
O
HN
NH
2
|
Ki |
= |
870.0 |
nM |
359.43 |
N=C(N)c1ccc2cc(C(=O)Nc3ccccc3)cc(C3CCOC3)c2c1 |
Homo sapiens |
CHEMBL815712 |
single protein format |
CHEMBL60831 |
OBDepict
CH
3
H
3
C
O
HO
N
H
HN
NH
2
|
Ki |
= |
880.0 |
nM |
323.4 |
CC(C)COc1cccc(-c2cc3cc(C(=N)N)ccc3[nH]2)c1O |
Homo sapiens |
CHEMBL815720 |
single protein format |
CHEMBL141584 |
OBDepict
O
N
H
O
H
H
3
C
CH
3
H
3
C
N
O
H
N
H
O
H
O
HO
N
NH
2
H
2
N
|
IC50 |
= |
900.0 |
nM |
504.59 |
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O |
Homo sapiens |
CHEMBL812493 |
single protein format |
CHEMBL266349 |
OBDepict
OH
O
NH
H
N
O
H
N
H
O
NH
H
2
N
|
Ki |
= |
900.0 |
nM |
429.52 |
N=C(N)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H](NCC(=O)O)C2CCCCC2)cc1 |
Homo sapiens |
CHEMBL4356327 |
single protein format |
CHEMBL104472 |
OBDepict
O
HN
H
O
H
N
N
O
H
2
N
NH
2
N
H
H
O
O
H
3
C
H
3
C
CH
3
|
IC50 |
= |
950.0 |
nM |
502.62 |
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CCCN=C(N)N |
Homo sapiens |
CHEMBL812493 |
single protein format |
CHEMBL327715 |
OBDepict
OH
N
N
H
NH
NH
2
|
Ki |
= |
1000.0 |
nM |
328.38 |
N=C(N)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3O)nc2c1 |
Homo sapiens |
CHEMBL847817 |
single protein format |
CHEMBL62370 |
OBDepict
OH
O
N
N
H
NH
NH
2
|
Ki |
= |
1000.0 |
nM |
344.37 |
N=C(N)c1ccc2[nH]c(-c3cccc(Oc4ccccc4)c3O)nc2c1 |
Homo sapiens |
CHEMBL815720 |
single protein format |
CHEMBL64676 |
OBDepict
CH
3
H
3
C
O
HO
N
N
H
HN
NH
2
|
Ki |
= |
1000.0 |
nM |
324.38 |
CC(C)COc1cccc(-c2nc3cc(C(=N)N)ccc3[nH]2)c1O |
Homo sapiens |
CHEMBL815720 |
single protein format |