molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3289972 |
|
Ki |
= |
0.1 |
nM |
466.97 |
O=S(=O)(NCCCCN1CCN(c2noc3ccccc23)CC1)c1ccc(F)c(Cl)c1 |
Homo sapiens |
CHEMBL3297242 |
cell-based format |
CHEMBL592752 |
OBDepict
CH
3
N
N
CH
3
|
Ki |
= |
0.153 |
nM |
304.44 |
Cc1ccc2c(c1)c1c(n2CCc2ccccc2)CCN(C)C1 |
Homo sapiens |
CHEMBL4199283 |
single protein format |
CHEMBL3290016 |
OBDepict
F
O
N
N
NH
S
O
O
S
CH
3
F
|
Ki |
= |
0.2 |
nM |
519.64 |
Cc1c(S(=O)(=O)NCCCCN2CCC(c3noc4cc(F)ccc34)CC2)sc2ccc(F)cc12 |
Homo sapiens |
CHEMBL3297242 |
cell-based format |
CHEMBL363452 |
OBDepict
F
O
N
H
N
HN
CH
3
H
|
Ki |
= |
0.2 |
nM |
351.43 |
C[C@H](Nc1ccnc(NCCOc2ccc(F)cc2)c1)c1ccccc1 |
Homo sapiens |
CHEMBL839517 |
single protein format |
CHEMBL225284 |
OBDepict
CH
3
S
N
N
NH
O
|
Ki |
= |
0.22 |
nM |
451.68 |
CSc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1 |
Homo sapiens |
CHEMBL3241204 |
cell-based format |
CHEMBL4291322 |
OBDepict
F
N
H
N
N
|
Ki |
= |
0.26 |
nM |
399.51 |
Fc1ccc2[nH]cc(CCN3CCN(c4ccccc4-c4ccccc4)CC3)c2c1 |
Homo sapiens |
CHEMBL4254547 |
cell-based format |
CHEMBL596959 |
OBDepict
CH
3
N
H
CH
3
|
Ki |
= |
0.3 |
nM |
357.54 |
CCCN(CCC)[C@H]1CCc2c(cccc2-c2cccc3ccccc23)C1 |
Homo sapiens |
CHEMBL1072174 |
cell-based format |
CHEMBL183277 |
OBDepict
F
O
N
H
N
N
HN
CH
3
H
|
Ki |
= |
0.3 |
nM |
352.41 |
C[C@H](Nc1ccnc(NCCOc2ccc(F)cc2)n1)c1ccccc1 |
Homo sapiens |
CHEMBL839517 |
single protein format |
CHEMBL1256863 |
OBDepict
OH
O
O
OH
NH
2
N
H
O
H
2
N
|
Ki |
= |
0.3 |
nM |
319.32 |
NCCc1c[nH]c2ccc(C(N)=O)cc12.O=C(O)/C=CC(=O)O |
Homo sapiens |
CHEMBL2166096 |
single protein format |
CHEMBL2159465 |
OBDepict
F
S
HN
O
O
N
O
CH
3
H
3
C
|
Ki |
= |
0.3 |
nM |
420.55 |
CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 |
Homo sapiens |
CHEMBL2162843 |
cell-based format |
CHEMBL182923 |
OBDepict
H
N
H
CH
3
N
N
H
|
Ki |
= |
0.3 |
nM |
317.44 |
C[C@H](Nc1ccnc(NCCc2ccccc2)c1)c1ccccc1 |
Homo sapiens |
CHEMBL839517 |
single protein format |
CHEMBL261719 |
OBDepict
CH
3
O
HN
N
N
Cl
|
Ki |
= |
0.38 |
nM |
411.98 |
CCC1(CCCCN2CCN(c3ccc(Cl)cc3)CC2)C(=O)Nc2ccccc21 |
Homo sapiens |
CHEMBL927089 |
cell-based format |
CHEMBL260994 |
OBDepict
O
N
H
N
N
Cl
|
Ki |
= |
0.38 |
nM |
383.92 |
O=C1Nc2ccccc2C1CCCCN1CCN(c2ccc(Cl)cc2)CC1 |
Homo sapiens |
CHEMBL927089 |
cell-based format |
CHEMBL4128926 |
OBDepict
OH
O
H
H
N
H
O
N
S
S
HN
O
O
CH
3
CH
3
CH
3
|
IC50 |
= |
0.39 |
nM |
583.78 |
CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 |
Homo sapiens |
CHEMBL4121505 |
single protein format |
CHEMBL183423 |
OBDepict
F
O
N
H
N
HN
CH
3
H
|
Ki |
= |
0.4 |
nM |
351.43 |
C[C@H](Nc1cc(NCCOc2ccc(F)cc2)ccn1)c1ccccc1 |
Homo sapiens |
CHEMBL839517 |
single protein format |
CHEMBL3290004 |
OBDepict
F
O
N
N
HN
S
O
O
|
Ki |
= |
0.4 |
nM |
453.54 |
O=S(=O)(NCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc2ccccc2c1 |
Homo sapiens |
CHEMBL3297242 |
cell-based format |
CHEMBL181605 |
OBDepict
F
NH
N
NH
H
3
C
H
|
Ki |
= |
0.4 |
nM |
335.43 |
C[C@H](Nc1ccnc(NCCc2ccc(F)cc2)c1)c1ccccc1 |
Homo sapiens |
CHEMBL839517 |
single protein format |
CHEMBL184607 |
OBDepict
H
NH
H
3
C
N
N
H
O
|
Ki |
= |
0.4 |
nM |
333.44 |
C[C@H](Nc1cc(NCCOc2ccccc2)ccn1)c1ccccc1 |
Homo sapiens |
CHEMBL839517 |
single protein format |
CHEMBL181356 |
OBDepict
H
NH
H
3
C
N
NH
O
|
Ki |
= |
0.4 |
nM |
333.44 |
C[C@H](Nc1ccnc(NCCOc2ccccc2)c1)c1ccccc1 |
Homo sapiens |
CHEMBL839517 |
single protein format |
CHEMBL4245263 |
OBDepict
F
O
N
N
H
N
S
O
O
N
|
Ki |
= |
0.4 |
nM |
508.62 |
O=S(=O)(c1cncc2ccccc12)N1CCC[C@H]1CCN1CCC(c2noc3cc(F)ccc23)CC1 |
Homo sapiens |
CHEMBL4229837 |
cell-based format |
CHEMBL408976 |
OBDepict
CH
3
O
HN
N
N
Cl
|
Ki |
= |
0.41 |
nM |
411.98 |
CCC1(CCCCN2CCN(c3cccc(Cl)c3)CC2)C(=O)Nc2ccccc21 |
Homo sapiens |
CHEMBL927089 |
cell-based format |
CHEMBL260872 |
OBDepict
CH
3
O
HN
N
N
F
|
Ki |
= |
0.43 |
nM |
395.52 |
CCC1(CCCCN2CCN(c3ccc(F)cc3)CC2)C(=O)Nc2ccccc21 |
Homo sapiens |
CHEMBL927089 |
cell-based format |
CHEMBL4216782 |
OBDepict
CH
3
N
CH
3
HO
H
3
C
N
CH
3
N
CH
3
|
Ki |
= |
0.47 |
nM |
273.38 |
Cc1nn(C)c(C)c1-c1ccc(O)c(CCN(C)C)c1 |
Homo sapiens |
CHEMBL4199267 |
single protein format |
CHEMBL261209 |
OBDepict
Cl
N
N
O
HN
|
Ki |
= |
0.49 |
nM |
383.92 |
O=C1Nc2ccccc2C1CCCCN1CCN(c2cccc(Cl)c2)CC1 |
Homo sapiens |
CHEMBL927089 |
cell-based format |
CHEMBL1237021 |
OBDepict
O
N
H
O
H
H
H
H
H
N
N
N
S
|
Ki |
= |
0.5 |
nM |
492.69 |
O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1C[C@@H]1CCCC[C@H]1CN1CCN(c2nsc3ccccc23)CC1 |
Homo sapiens |
CHEMBL4314367 |
cell-based format |
CHEMBL3290002 |
OBDepict
F
O
N
N
NH
S
O
O
|
Ki |
= |
0.5 |
nM |
467.57 |
O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cccc2ccccc12 |
Homo sapiens |
CHEMBL3297242 |
cell-based format |
CHEMBL3898250 |
OBDepict
Cl
O
N
ClH
|
Ki |
= |
0.5 |
nM |
362.3 |
Cl.O=C1c2ccc(Cl)cc2CC1CCN1CCc2ccccc2C1 |
Homo sapiens |
CHEMBL3863661 |
single protein format |
CHEMBL4277476 |
OBDepict
F
F
N
N
N
H
F
|
Ki |
= |
0.55 |
nM |
449.52 |
Fc1cccc(-c2c(F)cccc2N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c1 |
Homo sapiens |
CHEMBL4254547 |
cell-based format |
CHEMBL522691 |
OBDepict
N
N
H
O
N
N
|
Ki |
= |
0.58 |
nM |
466.63 |
N#Cc1ccc(CNC(=O)CCCCCN2CCN(c3ccccc3-c3ccccc3)CC2)cc1 |
Homo sapiens |
CHEMBL2162843 |
cell-based format |
CHEMBL8618 |
OBDepict
CH
3
O
N
N
N
O
O
|
Ki |
= |
0.6 |
nM |
393.49 |
COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1 |
Homo sapiens |
CHEMBL3367561 |
cell-based format |
CHEMBL3343666 |
OBDepict
CH
3
O
CH
3
N
O
H
2
N
NH
2
ClH
|
Ki |
= |
0.6 |
nM |
345.83 |
CCC1(OC)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21.Cl |
Homo sapiens |
CHEMBL3381336 |
cell-based format |
CHEMBL4065568 |
OBDepict
H
3
C
S
HN
O
O
N
N
H
Cl
|
Ki |
= |
0.6 |
nM |
429.97 |
Cc1cccc(S(=O)(=O)NCCN2CC=C(c3c[nH]c4ccc(Cl)cc34)CC2)c1 |
Homo sapiens |
CHEMBL4041090 |
cell-based format |
CHEMBL3289991 |
OBDepict
F
O
N
N
NH
S
O
O
H
3
C
|
Ki |
= |
0.6 |
nM |
431.53 |
Cc1cccc(S(=O)(=O)NCCCN2CCC(c3noc4cc(F)ccc34)CC2)c1 |
Homo sapiens |
CHEMBL3297242 |
cell-based format |
CHEMBL185384 |
OBDepict
H
N
H
CH
3
N
N
N
H
|
Ki |
= |
0.6 |
nM |
318.42 |
C[C@H](Nc1ccnc(NCCc2ccccc2)n1)c1ccccc1 |
Homo sapiens |
CHEMBL839517 |
single protein format |
CHEMBL2164327 |
OBDepict
H
3
C
N
N
CH
3
CH
3
H
N
H
3
C
H
3
C
|
Ki |
= |
0.6 |
nM |
283.42 |
Cc1nn(C)c(C)c1-c1cccc2c1CC[C@H](N(C)C)C2 |
Homo sapiens |
CHEMBL2378991 |
cell-based format |
CHEMBL406414 |
OBDepict
CH
3
O
HN
N
N
Cl
F
|
Ki |
= |
0.6 |
nM |
429.97 |
CCC1(CCCCN2CCN(c3ccc(F)c(Cl)c3)CC2)C(=O)Nc2ccccc21 |
Homo sapiens |
CHEMBL927089 |
cell-based format |
CHEMBL161765 |
OBDepict
CH
3
N
CH
3
S
N
|
Ki |
= |
0.6 |
nM |
258.39 |
CN(C)CCSc1cccc(-c2ccccc2)n1 |
Homo sapiens |
CHEMBL620825 |
cell-based format |
CHEMBL39 |
OBDepict
H
2
N
N
H
OH
|
IC50 |
= |
0.61 |
nM |
176.22 |
NCCc1c[nH]c2ccc(O)cc12 |
Homo sapiens |
CHEMBL947387 |
single protein format |
CHEMBL259087 |
OBDepict
CH
3
O
HN
N
N
Cl
Cl
|
Ki |
= |
0.63 |
nM |
446.42 |
CCC1(CCCCN2CCN(c3ccc(Cl)c(Cl)c3)CC2)C(=O)Nc2ccccc21 |
Homo sapiens |
CHEMBL927089 |
cell-based format |
CHEMBL259086 |
OBDepict
CH
3
O
HN
N
N
Cl
CH
3
|
Ki |
= |
0.66 |
nM |
426.0 |
CCC1(CCCCN2CCN(c3ccc(C)c(Cl)c3)CC2)C(=O)Nc2ccccc21 |
Homo sapiens |
CHEMBL927089 |
cell-based format |
CHEMBL259549 |
OBDepict
CH
3
O
NH
N
F
N
Cl
|
Ki |
= |
0.67 |
nM |
429.97 |
CCC1(CCCCN2CCN(c3cccc(Cl)c3)CC2)C(=O)Nc2cc(F)ccc21 |
Homo sapiens |
CHEMBL927089 |
cell-based format |
CHEMBL3289970 |
OBDepict
Cl
Cl
S
HN
O
O
N
N
N
O
|
Ki |
= |
0.7 |
nM |
483.42 |
O=S(=O)(NCCCCN1CCN(c2noc3ccccc23)CC1)c1ccc(Cl)c(Cl)c1 |
Homo sapiens |
CHEMBL3297242 |
cell-based format |
CHEMBL3290017 |
OBDepict
F
O
N
N
NH
S
O
O
S
CH
3
Cl
|
Ki |
= |
0.7 |
nM |
536.09 |
Cc1c(S(=O)(=O)NCCCCN2CCC(c3noc4cc(F)ccc34)CC2)sc2ccc(Cl)cc12 |
Homo sapiens |
CHEMBL3297242 |
cell-based format |
CHEMBL158402 |
OBDepict
CH
3
N
CH
3
S
N
|
Ki |
= |
0.7 |
nM |
264.44 |
CN(C)CCSc1cccc(C2CCCCC2)n1 |
Homo sapiens |
CHEMBL620825 |
cell-based format |
CHEMBL3321794 |
OBDepict
O
N
N
|
Ki |
= |
0.7 |
nM |
346.47 |
O=C1Cc2ccccc2N1CC/C=C/CCN1CCc2ccccc2C1 |
Homo sapiens |
CHEMBL3364794 |
cell-based format |
CHEMBL4215605 |
OBDepict
Cl
Cl
N
N
|
Ki |
= |
0.75 |
nM |
411.38 |
Clc1ccc(CCN2CCN(c3ccccc3-c3ccccc3)CC2)cc1Cl |
Homo sapiens |
CHEMBL4182006 |
cell-based format |
CHEMBL3343667 |
OBDepict
CH
3
O
O
H
3
C
N
O
H
2
N
NH
2
ClH
|
Ki |
= |
0.76 |
nM |
361.83 |
COCC1(OC)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21.Cl |
Homo sapiens |
CHEMBL3381336 |
cell-based format |
CHEMBL409662 |
OBDepict
CH
3
O
NH
N
F
N
Cl
|
Ki |
= |
0.79 |
nM |
429.97 |
CCC1(CCCCN2CCN(c3ccc(Cl)cc3)CC2)C(=O)Nc2cc(F)ccc21 |
Homo sapiens |
CHEMBL927089 |
cell-based format |
CHEMBL4285796 |
OBDepict
F
N
N
N
H
F
|
Ki |
= |
0.79 |
nM |
417.5 |
Fc1cccc(-c2ccccc2N2CCN(CCc3c[nH]c4ccc(F)cc34)CC2)c1 |
Homo sapiens |
CHEMBL4254547 |
cell-based format |
CHEMBL3290005 |
OBDepict
F
O
N
N
NH
S
O
O
|
Ki |
= |
0.8 |
nM |
467.57 |
O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc2ccccc2c1 |
Homo sapiens |
CHEMBL3297242 |
cell-based format |
CHEMBL3289978 |
OBDepict
O
S
N
H
O
N
N
N
O
|
Ki |
= |
0.8 |
nM |
464.59 |
O=S(=O)(NCCCCN1CCN(c2noc3ccccc23)CC1)c1ccc2ccccc2c1 |
Homo sapiens |
CHEMBL3297242 |
cell-based format |
CHEMBL4591601 |
OBDepict
H
3
C
O
O
CH
3
N
H
O
N
O
N
N
Cl
Cl
|
Ki |
= |
0.8 |
nM |
533.46 |
COc1ccc(/C=C2NC(=O)N(CCCCN3CCN(c4cccc(Cl)c4Cl)CC3)C2=O)cc1OC |
Homo sapiens |
CHEMBL4343019 |
cell-based format |
CHEMBL3290003 |
OBDepict
F
O
N
N
HN
S
O
O
|
Ki |
= |
0.8 |
nM |
481.59 |
O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cccc2ccccc12 |
Homo sapiens |
CHEMBL3297242 |
cell-based format |
CHEMBL4443201 |
OBDepict
H
N
N
O
S
N
N
|
Ki |
= |
0.85 |
nM |
368.51 |
O=c1[nH]c(CCCCN2CCN(c3ccccc3)CC2)nc2ccsc12 |
Homo sapiens |
CHEMBL4313569 |
cell-based format |
CHEMBL3289999 |
OBDepict
F
O
N
N
NH
S
O
O
S
|
Ki |
= |
0.9 |
nM |
423.54 |
O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cccs1 |
Homo sapiens |
CHEMBL3297242 |
cell-based format |
CHEMBL3289995 |
OBDepict
F
O
N
N
NH
S
O
O
Cl
F
|
Ki |
= |
0.9 |
nM |
469.94 |
O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc(F)c(Cl)c1 |
Homo sapiens |
CHEMBL3297242 |
cell-based format |
CHEMBL3290009 |
OBDepict
F
O
N
N
NH
S
O
O
S
|
Ki |
= |
0.9 |
nM |
473.6 |
O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1csc2ccccc12 |
Homo sapiens |
CHEMBL3297242 |
cell-based format |
CHEMBL18840 |
OBDepict
NH
2
N
H
O
H
2
N
|
Ki |
= |
0.9 |
nM |
203.25 |
NCCc1c[nH]c2ccc(C(N)=O)cc12 |
Homo sapiens |
CHEMBL620823 |
single protein format |
CHEMBL4544153 |
OBDepict
F
N
N
N
H
N
N
H
F
|
Ki |
= |
0.9 |
nM |
421.5 |
Fc1ccc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(-c2cn[nH]c2)c1 |
Homo sapiens |
CHEMBL4409662 |
cell-based format |
CHEMBL4574299 |
OBDepict
F
N
H
N
N
N
S
|
Ki |
= |
0.99 |
nM |
380.49 |
Fc1ccc2[nH]cc(CCN3CCN(c4nsc5ccccc45)CC3)c2c1 |
Homo sapiens |
CHEMBL4409662 |
cell-based format |
CHEMBL3331258 |
OBDepict
CH
3
N
N
N
O
S
|
Ki |
= |
0.99 |
nM |
381.55 |
Cc1ccccc1N1CCN(CCCCn2c(=O)sc3ccccc32)CC1 |
Homo sapiens |
CHEMBL3367561 |
cell-based format |
CHEMBL3759205 |
OBDepict
F
S
N
H
O
O
N
O
CH
3
H
3
C
|
Ki |
= |
1.0 |
nM |
446.59 |
CC(C)c1cccc(OCCN2C3CCC2CC(NS(=O)(=O)c2ccc(F)cc2)C3)c1 |
Homo sapiens |
CHEMBL3762236 |
cell-based format |
CHEMBL4239091 |
OBDepict
H
N
S
N
O
O
N
N
N
S
|
Ki |
= |
1.0 |
nM |
507.69 |
O=S(=O)(c1cccc2cnccc12)N1CCC[C@@H]1CCN1CCN(c2nsc3ccccc23)CC1 |
Homo sapiens |
CHEMBL4229837 |
cell-based format |
CHEMBL4243848 |
OBDepict
H
N
S
N
O
O
N
N
S
|
Ki |
= |
1.0 |
nM |
506.7 |
O=S(=O)(c1cccc2ncccc12)N1CCC[C@@H]1CCN1CCN(c2cccc3sccc23)CC1 |
Homo sapiens |
CHEMBL4229837 |
cell-based format |
CHEMBL4242858 |
OBDepict
H
N
S
N
O
O
N
N
N
S
|
Ki |
= |
1.0 |
nM |
507.69 |
O=S(=O)(c1cccc2ncccc12)N1CCC[C@@H]1CCN1CCN(c2nsc3ccccc23)CC1 |
Homo sapiens |
CHEMBL4229837 |
cell-based format |
CHEMBL4465959 |
OBDepict
H
3
C
O
O
N
H
O
N
O
N
N
O
CH
3
|
Ki |
= |
1.0 |
nM |
548.68 |
COc1ccc(/C=C2NC(=O)N(CCCCN3CCN(c4ccccc4OC)CC3)C2=O)cc1OC1CCCC1 |
Homo sapiens |
CHEMBL4343019 |
cell-based format |
CHEMBL258075 |
OBDepict
CH
3
O
CH
3
N
H
2
N
HN
CH
3
|
Ki |
= |
1.0 |
nM |
219.29 |
CC(C)Oc1cccc2c1N=C(N)NC2C |
Homo sapiens |
CHEMBL930824 |
cell-based format |
CHEMBL4647808 |
OBDepict
Cl
H
N
H
3
C
CH
3
|
Ki |
= |
1.0 |
nM |
285.82 |
CN(C)[C@H]1CCc2c(cccc2-c2ccccc2Cl)C1 |
Homo sapiens |
CHEMBL4617176 |
cell-based format |
CHEMBL4104622 |
OBDepict
HO
S
HN
O
O
N
N
H
Cl
|
Ki |
= |
1.0 |
nM |
431.95 |
O=S(=O)(NCCN1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1)c1cccc(O)c1 |
Homo sapiens |
CHEMBL4041090 |
cell-based format |
CHEMBL182071 |
OBDepict
F
O
N
H
N
N
NH
CH
3
|
Ki |
= |
1.0 |
nM |
352.41 |
CC(Nc1nccc(NCCOc2ccc(F)cc2)n1)c1ccccc1 |
Homo sapiens |
CHEMBL839517 |
single protein format |
CHEMBL410226 |
OBDepict
CH
3
O
HN
N
Cl
|
Ki |
= |
1.02 |
nM |
408.97 |
CCC1(CCCCN2CC=C(c3ccc(Cl)cc3)CC2)C(=O)Nc2ccccc21 |
Homo sapiens |
CHEMBL927089 |
cell-based format |
CHEMBL281924 |
OBDepict
CH
3
O
H
3
C
H
N
CH
3
|
Ki |
= |
1.1 |
nM |
291.39 |
CO[C@]1(C)c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1 |
Homo sapiens |
CHEMBL619854 |
single protein format |
CHEMBL3289968 |
OBDepict
H
3
C
S
HN
O
O
N
N
N
O
|
Ki |
= |
1.1 |
nM |
428.56 |
Cc1cccc(S(=O)(=O)NCCCCN2CCN(c3noc4ccccc34)CC2)c1 |
Homo sapiens |
CHEMBL3297242 |
cell-based format |
CHEMBL281923 |
OBDepict
CH
3
O
H
3
C
H
N
CH
3
|
Ki |
= |
1.1 |
nM |
291.39 |
CO[C@@]1(C)c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1 |
Homo sapiens |
CHEMBL619854 |
single protein format |
CHEMBL4278933 |
OBDepict
F
N
N
N
H
F
|
Ki |
= |
1.1 |
nM |
431.53 |
Fc1cccc(-c2ccccc2N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c1 |
Homo sapiens |
CHEMBL4254547 |
cell-based format |
CHEMBL4286174 |
OBDepict
F
N
H
N
N
|
Ki |
= |
1.1 |
nM |
413.54 |
Fc1ccc2[nH]cc(CCCN3CCN(c4ccccc4-c4ccccc4)CC3)c2c1 |
Homo sapiens |
CHEMBL4254547 |
cell-based format |
CHEMBL3289990 |
OBDepict
F
O
N
N
HN
S
O
O
H
3
C
|
Ki |
= |
1.1 |
nM |
417.51 |
Cc1cccc(S(=O)(=O)NCCN2CCC(c3noc4cc(F)ccc34)CC2)c1 |
Homo sapiens |
CHEMBL3297242 |
cell-based format |
CHEMBL410225 |
OBDepict
CH
3
O
HN
N
F
|
Ki |
= |
1.19 |
nM |
392.52 |
CCC1(CCCCN2CC=C(c3ccc(F)cc3)CC2)C(=O)Nc2ccccc21 |
Homo sapiens |
CHEMBL927089 |
cell-based format |
CHEMBL3289993 |
OBDepict
F
O
N
N
NH
S
O
O
Cl
Cl
|
Ki |
= |
1.2 |
nM |
486.4 |
O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc(Cl)c(Cl)c1 |
Homo sapiens |
CHEMBL3297242 |
cell-based format |
CHEMBL3343663 |
OBDepict
CH
3
HO
N
O
H
2
N
NH
2
ClH
|
Ki |
= |
1.2 |
nM |
331.8 |
CCC1(O)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21.Cl |
Homo sapiens |
CHEMBL3381336 |
cell-based format |
CHEMBL262068 |
OBDepict
CH
3
O
NH
N
N
Cl
|
Ki |
= |
1.24 |
nM |
426.0 |
CCC1(CCCCCN2CCN(c3ccc(Cl)cc3)CC2)C(=O)Nc2ccccc21 |
Homo sapiens |
CHEMBL927089 |
cell-based format |
CHEMBL3290014 |
OBDepict
F
O
N
N
HN
S
O
O
S
Cl
|
Ki |
= |
1.3 |
nM |
522.07 |
O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cc2ccc(Cl)cc2s1 |
Homo sapiens |
CHEMBL3297242 |
cell-based format |
CHEMBL158973 |
OBDepict
CH
3
N
H
3
C
S
H
3
C
H
3
C
CH
3
|
Ki |
= |
1.3 |
nM |
161.31 |
CN(C)CCSC(C)(C)C |
Homo sapiens |
CHEMBL620825 |
cell-based format |
CHEMBL3343671 |
OBDepict
H
2
N
N
NH
2
O
O
ClH
|
Ki |
= |
1.3 |
nM |
357.84 |
Cl.NC(N)=NC(=O)c1ccc2c(c1)C1(CCOCC1)c1ccccc1-2 |
Homo sapiens |
CHEMBL3381336 |
cell-based format |
CHEMBL3290001 |
OBDepict
F
O
N
N
N
H
S
O
O
|
Ki |
= |
1.3 |
nM |
453.54 |
O=S(=O)(NCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cccc2ccccc12 |
Homo sapiens |
CHEMBL3297242 |
cell-based format |
CHEMBL3290020 |
OBDepict
F
O
N
N
NH
S
O
O
N
S
|
Ki |
= |
1.3 |
nM |
474.58 |
O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cccc2scnc12 |
Homo sapiens |
CHEMBL3297242 |
cell-based format |
CHEMBL282199 |
OBDepict
H
3
C
N
H
N
S
O
O
HO
|
Ki |
= |
1.3 |
nM |
352.5 |
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 |
Homo sapiens |
CHEMBL619854 |
single protein format |
CHEMBL3343665 |
OBDepict
CH
3
O
H
3
C
N
O
H
2
N
NH
2
ClH
|
Ki |
= |
1.4 |
nM |
331.8 |
COC1(C)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21.Cl |
Homo sapiens |
CHEMBL3381336 |
cell-based format |
CHEMBL2164330 |
OBDepict
CH
3
N
NH
|
Ki |
= |
1.4 |
nM |
252.36 |
Cc1ccccc1-c1cccc(N2CCNCC2)c1 |
Homo sapiens |
CHEMBL2166096 |
single protein format |
CHEMBL494675 |
OBDepict
HN
N
|
Ki |
= |
1.4 |
nM |
238.33 |
c1ccc(-c2ccccc2N2CCNCC2)cc1 |
Homo sapiens |
CHEMBL2166096 |
single protein format |
CHEMBL3290006 |
OBDepict
F
O
N
N
HN
S
O
O
|
Ki |
= |
1.4 |
nM |
481.59 |
O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc2ccccc2c1 |
Homo sapiens |
CHEMBL3297242 |
cell-based format |
CHEMBL258496 |
OBDepict
CH
3
O
NH
N
N
Cl
|
Ki |
= |
1.45 |
nM |
426.0 |
CCC1(CCCCCN2CCN(c3cccc(Cl)c3)CC2)C(=O)Nc2ccccc21 |
Homo sapiens |
CHEMBL927089 |
cell-based format |
CHEMBL3289992 |
OBDepict
F
O
N
N
HN
S
O
O
H
3
C
|
Ki |
= |
1.5 |
nM |
445.56 |
Cc1cccc(S(=O)(=O)NCCCCN2CCC(c3noc4cc(F)ccc34)CC2)c1 |
Homo sapiens |
CHEMBL3297242 |
cell-based format |
CHEMBL3289952 |
OBDepict
O
S
N
H
O
N
N
N
S
|
Ki |
= |
1.5 |
nM |
452.61 |
O=S(=O)(NCCN1CCN(c2nsc3ccccc23)CC1)c1ccc2ccccc2c1 |
Homo sapiens |
CHEMBL3297242 |
cell-based format |
CHEMBL3289953 |
OBDepict
O
S
N
H
O
N
N
N
S
|
Ki |
= |
1.5 |
nM |
466.63 |
O=S(=O)(NCCCN1CCN(c2nsc3ccccc23)CC1)c1ccc2ccccc2c1 |
Homo sapiens |
CHEMBL3297242 |
cell-based format |
CHEMBL259216 |
OBDepict
CH
3
O
HN
F
N
N
F
|
Ki |
= |
1.5 |
nM |
413.51 |
CCC1(CCCCN2CCN(c3ccc(F)cc3)CC2)C(=O)Nc2ccc(F)cc21 |
Homo sapiens |
CHEMBL927089 |
cell-based format |
CHEMBL3958215 |
OBDepict
F
O
N
|
Ki |
= |
1.6 |
nM |
309.38 |
O=C1c2ccc(F)cc2CC1CCN1CCc2ccccc2C1 |
Homo sapiens |
CHEMBL3863661 |
single protein format |
CHEMBL4204059 |
OBDepict
H
3
C
N
N
N
O
N
CH
3
|
Ki |
= |
1.6 |
nM |
300.41 |
CCCCc1cc(-c2ccoc2)nc(N2CCN(C)CC2)n1 |
Homo sapiens |
CHEMBL4199275 |
cell-based format |
CHEMBL3289944 |
OBDepict
H
3
C
S
HN
O
O
N
N
N
S
|
Ki |
= |
1.6 |
nM |
444.63 |
Cc1cccc(S(=O)(=O)NCCCCN2CCN(c3nsc4ccccc34)CC2)c1 |
Homo sapiens |
CHEMBL3297242 |
cell-based format |
CHEMBL3289709 |
OBDepict
H
3
C
S
NH
O
O
N
N
N
S
|
Ki |
= |
1.7 |
nM |
430.6 |
Cc1cccc(S(=O)(=O)NCCCN2CCN(c3nsc4ccccc34)CC2)c1 |
Homo sapiens |
CHEMBL3297242 |
cell-based format |