| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L034921
BDB034921
|
BDBM701083
O=C(N=c1sccn1Cc1ccccc1)n1ccc2ncccc21
|
C18H14N4OS 334.404000 |
NLAGHJGMSZOPDY-UHFFFAOYSA-N | O95835 | Serine/threonine-protein kinase LATS1 |
BindingDB
BindingDB:BDBM701083
|
Local ready
Direct docking supported
|
|
E3L034922
BDB034922
|
BDBM701084
N#Cc1cc2ncccc2n1C(=O)N=c1sccn1-c1ccccc1
|
C18H11N5OS 345.387000 |
CFLYWEMDADOJKF-UHFFFAOYSA-N | O95835 | Serine/threonine-protein kinase LATS1 |
BindingDB
BindingDB:BDBM701084
|
Local ready
Direct docking supported
|
|
E3L034923
BDB034923
|
BDBM701085
Cc1csc(=NC(=O)n2ccc3ncccc32)n1C1CCCCC1
|
C18H20N4OS 340.452000 |
MRCFSYNHEMEMPX-UHFFFAOYSA-N | O95835 | Serine/threonine-protein kinase LATS1 |
BindingDB
BindingDB:BDBM701085
|
Local ready
Direct docking supported
|
|
E3L034924
BDB034924
|
BDBM701137
COc1ccc(S(=O)(=O)C(C(=O)O)c2cc(CCC(N)=O)c(N(C(=O)O)S(=O)(=O)c3ccc(OC)cc3)c3ccccc23)cc1
|
C30H28N2O11S2 656.691000 |
VYBUZHBRZPCYRC-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB
BindingDB:BDBM701137
|
Local ready
Direct docking supported
|
|
E3L034925
BDB034925
|
BDBM701138
COc1ccc(S(=O)(=O)C(C(=O)O)c2cc(CCC(=O)NC(C)C)c(N(C(=O)O)S(=O)(=O)c3ccc(OC)cc3)c3ccccc23)cc1
|
C33H34N2O11S2 698.772000 |
SQQSFYPACKHGLE-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB
BindingDB:BDBM701138
|
Local ready
Direct docking supported
|
|
E3L034926
BDB034926
|
BDBM701139
COc1ccc(S(=O)(=O)C(C(=O)O)c2cc(CCC(=O)N3CCOCC3)c(N(C(=O)O)S(=O)(=O)c3ccc(OC)cc3)c3ccccc23)cc1
|
C34H34N2O12S2 726.782000 |
WOGGSXQFNOKXJM-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB
BindingDB:BDBM701139
|
Local ready
Direct docking supported
|
|
E3L034927
BDB034927
|
BDBM701140
COc1ccc(S(=O)(=O)C(C(=O)O)c2cc(CCCN3C(=O)c4ccccc4C3=O)c(N(C(=O)O)S(=O)(=O)c3ccc(OC)cc3)c3ccccc23)cc1
|
C38H32N2O12S2 772.810000 |
QTYWVCRHMFLBNN-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB
BindingDB:BDBM701140
|
Local ready
Direct docking supported
|
|
E3L034928
BDB034928
|
BDBM701141
COc1ccc(S(=O)(=O)C(C(=O)O)c2cc(-c3ccccc3)c(N(C(=O)O)S(=O)(=O)c3ccc(OC)cc3)c3ccccc23)cc1
|
C33H27NO10S2 661.710000 |
QHPZSALHJHAYNB-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB
BindingDB:BDBM701141
|
Local ready
Direct docking supported
|
|
E3L034929
BDB034929
|
BDBM701142
COc1ccc(-c2cc(C(C(=O)O)S(=O)(=O)c3ccc(OC)cc3)c3ccccc3c2N(C(=O)O)S(=O)(=O)c2ccc(OC)cc2)cc1
|
C34H29NO11S2 691.736000 |
CVRATQOGVGVSRY-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB
BindingDB:BDBM701142
|
Local ready
Direct docking supported
|
|
E3L034930
BDB034930
|
BDBM701143
COc1ccc(S(=O)(=O)C(C(=O)O)c2cc(-c3ccc(C#N)cc3)c(N(C(=O)O)S(=O)(=O)c3ccc(OC)cc3)c3ccccc23)cc1
|
C34H26N2O10S2 686.720000 |
CWPBFCKKWYCSSX-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB
BindingDB:BDBM701143
|
Local ready
Direct docking supported
|
|
E3L034931
BDB034931
|
BDBM701144
COc1ccc(S(=O)(=O)C(C(=O)O)c2cc(Sc3ccccc3)c(N(C(=O)O)S(=O)(=O)c3ccc(OC)cc3)c3ccccc23)cc1
|
C33H27NO10S3 693.777000 |
HAHIZMFAOMSGQP-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB
BindingDB:BDBM701144
|
Local ready
Direct docking supported
|
|
E3L034932
BDB034932
|
BDBM701145
COc1ccc(S(=O)(=O)C(C(=O)O)c2cc(-c3ccc(N4C(=O)c5ccccc5C4=O)cc3)c(N(C(=O)O)S(=O)(=O)c3ccc(OC)cc3)c3ccccc23)cc1
|
C41H30N2O12S2 806.827000 |
LLGMSLFNZAUEFP-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB
BindingDB:BDBM701145
|
Local ready
Direct docking supported
|
|
E3L034933
BDB034933
|
BDBM701146
COc1ccc(S(=O)(=O)C(C(=O)O)c2cc(CCC(=O)O)c(N(C(=O)O)S(=O)(=O)c3ccc(OC)cc3)c3ccccc23)cc1
|
C30H27NO12S2 657.675000 |
MMOLUWSDYUWJEL-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB
BindingDB:BDBM701146
|
Local ready
Direct docking supported
|
|
E3L034934
BDB034934
|
BDBM701147
COc1ccc(S(=O)(=O)C(C(=O)O)c2ccc(N(C(=O)O)S(=O)(=O)c3ccc(OC)cc3Br)c3ccccc23)c(Br)c1
|
C27H21Br2NO10S2 743.404000 |
WXMFRSKDGJMBAL-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB
BindingDB:BDBM701147
|
Local ready
Direct docking supported
|
|
E3L034935
BDB034935
|
BDBM701148
Cc1cccc(F)c1S(=O)(=O)N(C(=O)O)c1ccc(C(C(=O)O)S(=O)(=O)c2c(F)cccc2F)c2ccccc12
|
C26H18F3NO8S2 593.557000 |
ZZTMCYYDEIARRY-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB
BindingDB:BDBM701148
|
Local ready
Direct docking supported
|
|
E3L034936
BDB034936
|
BDBM701149
CS(=O)(=O)Nc1ccc(S(=O)(=O)C(C(=O)O)c2ccc(N(C(=O)O)S(=O)(=O)c3ccc(NS(C)(=O)=O)cc3)c3ccccc23)cc1
|
C27H25N3O12S4 711.774000 |
SSULFGCRHRGMMN-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB
BindingDB:BDBM701149
|
Local ready
Direct docking supported
|
|
E3L034937
BDB034937
|
BDBM701150
O=C(O)C(c1ccc(N(C(=O)O)S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)c2ccccc12)S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1
|
C29H19F6N3O10S2 747.604000 |
JUCYZMXABWDIRD-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB
BindingDB:BDBM701150
|
Local ready
Direct docking supported
|
|
E3L034938
BDB034938
|
BDBM701151
O=C(O)C(c1ccc(N(C(=O)O)S(=O)(=O)c2ccc(-c3ccccc3)cc2)c2ccccc12)S(=O)(=O)c1ccc(-c2ccccc2)cc1
|
C37H27NO8S2 677.756000 |
MPRGLMCOQWKBCR-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB
BindingDB:BDBM701151
|
Local ready
Direct docking supported
|
|
E3L034939
BDB034939
|
BDBM701152
O=C(O)C(c1ccc(N(C(=O)O)S(=O)(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c2ccccc12)S(=O)(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
|
C41H25N3O12S2 815.794000 |
YAPKJSYABRTTMN-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB
BindingDB:BDBM701152
|
Local ready
Direct docking supported
|
|
E3L034940
BDB034940
|
BDBM701157
O=C(O)CN(c1ccc(N(CC(=O)O)S(=O)(=O)c2ccc3c(c2)OCC3)c2ccccc12)S(=O)(=O)c1ccc2c(c1)OCC2
|
C30H26N2O10S2 638.676000 |
RGSVFUNXINXQMB-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB
BindingDB:BDBM701157
|
Local ready
Direct docking supported
|