| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L045981
BDB045981
|
BDBM50110829
NC(=O)c1cccc2c1C(=O)N(CCCN1CCOCC1)C2
|
C16H21N3O3 303.362000 |
FGRNZZFSZOJDGC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50110829; PubChem:CID73776799
|
Local ready
Direct docking supported
|
|
E3L045982
BDB045982
|
BDBM50110830
NC(=O)c1cccc2c1C(=O)N(CCCN1CCCCC1)C2
|
C17H23N3O2 301.390000 |
GKALQNMQWUAENE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50110830; PubChem:CID73774956
|
Local ready
Direct docking supported
|
|
E3L045983
BDB045983
|
BDBM50110831
NC(=O)c1cccc2c1C(=O)N(CCCN1CCC(Cc3ccccc3)CC1)C2
|
C24H29N3O2 391.515000 |
XURWTHPKVQLLQP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50110831; PubChem:CID73775116
|
Local ready
Direct docking supported
|
|
E3L045984
BDB045984
|
BDBM50110832
NC(=O)c1cccc2c1C(=O)N(CCN1CCCc3ccccc31)C2
|
C20H21N3O2 335.407000 |
WGTJWDKKJAQXMI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50110832; PubChem:CID73776800
|
Local ready
Direct docking supported
|
|
E3L045985
BDB045985
|
BDBM50110833
NC(=O)c1cccc2c1C(=O)N(CCN1CCc3ccccc3C1)C2
|
C20H21N3O2 335.407000 |
UREAUZAZNZXBOS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50110833; PubChem:CID73776796
|
Local ready
Direct docking supported
|
|
E3L045986
BDB045986
|
BDBM50110834
NC(=O)c1cccc2c1C(=O)N(CC1CCN(Cc3ccccc3)CC1)C2
|
C22H25N3O2 363.461000 |
SBMWFEAZZKPUOY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50110834; PubChem:CID122186786
|
Local ready
Direct docking supported
|
|
E3L045987
BDB045987
|
BDBM50110835
CN1CCC(N2Cc3cccc(C(N)=O)c3C2=O)CC1
|
C15H19N3O2 273.336000 |
BRGXBMWHIKYUSN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50110835; PubChem:CID122186790
|
Local ready
Direct docking supported
|
|
E3L045988
BDB045988
|
BDBM50110836
NC(=O)c1cccc2c1C(=O)N(C1CCN(C3CCOCC3)CC1)C2
|
C19H25N3O3 343.427000 |
JDUWWYRZYIZTIV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50110836; PubChem:CID73774959
|
Local ready
Direct docking supported
|
|
E3L045989
BDB045989
|
BDBM50110837
CCN1CCC(N2Cc3cccc(C(N)=O)c3C2=O)CC1
|
C16H21N3O2 287.363000 |
INAAMCQWURLRDO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50110837; PubChem:CID122186791
|
Local ready
Direct docking supported
|
|
E3L045990
BDB045990
|
BDBM50110838
CC(C)N1CCC(N2Cc3cccc(C(N)=O)c3C2=O)CC1
|
C17H23N3O2 301.390000 |
MSOMGRYOZBJWOT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50110838; PubChem:CID122186792
|
Local ready
Direct docking supported
|
|
E3L045991
BDB045991
|
BDBM50110839
CC(C)CN1CCC(N2Cc3cccc(C(N)=O)c3C2=O)CC1
|
C18H25N3O2 315.417000 |
YEJCAPFHBURMPY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50110839; PubChem:CID122186793
|
Local ready
Direct docking supported
|
|
E3L045992
BDB045992
|
BDBM50110840
NC(=O)c1cccc2c1C(=O)N(C1CCN(CC3CC3)CC1)C2
|
C18H23N3O2 313.401000 |
FSXCZROERMGUME-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50110840; PubChem:CID73774955
|
Local ready
Direct docking supported
|
|
E3L045993
BDB045993
|
BDBM50110841
NC(=O)c1cccc2c1C(=O)N(C1CCN(Cc3ccccc3Br)CC1)C2
|
C21H22BrN3O2 428.330000 |
NJRZPJLHTUEVTK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50110841; PubChem:CID50943089
|
Local ready
Direct docking supported
|
|
E3L045994
BDB045994
|
BDBM50110842
NC(=O)c1cccc2c1C(=O)N(C1CCN(Cc3ccncc3)CC1)C2
|
C20H22N4O2 350.422000 |
AOZCRPBUUBEYOW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50110842; PubChem:CID73776801
|
Local ready
Direct docking supported
|
|
E3L045995
BDB045995
|
BDBM50111006
COc1cc(CCCc2oc(=O)[nH]c2O)ccc1OCc1nc(-c2ccco2)oc1C
|
C22H22N2O7 426.425000 |
HYOQMRYZQUGPRK-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50111006; PubChem:CID53903254
|
Local ready
Direct docking supported
|
|
E3L045996
BDB045996
|
BDBM50111007
Cc1oc(-c2ccccc2)nc1COc1ccc(CCCc2oc(=O)[nH]c2O)cn1
|
C22H21N3O5 407.426000 |
ZJORSKCWFNIHPV-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50111007; PubChem:CID54550515
|
Local ready
Direct docking supported
|
|
E3L045997
BDB045997
|
BDBM50111008
Cc1sc(-c2ccccc2)nc1COc1ccc(CCCc2oc(=O)[nH]c2O)cc1
|
C23H22N2O4S 422.506000 |
BXZHDYPSVZQZHE-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50111008; PubChem:CID53707174
|
Local ready
Direct docking supported
|
|
E3L045998
BDB045998
|
BDBM50111009
Cc1oc(-c2ccccc2)nc1COc1ccc(CCCc2oc(=O)[nH]c2O)cc1
|
C23H22N2O5 406.438000 |
JTHIBRSUMPWUCR-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50111009; PubChem:CID53973546
|
Local ready
Direct docking supported
|
|
E3L045999
BDB045999
|
BDBM50111010
Cc1oc(-c2ccc3ccccc3c2)nc1COc1ccc(CCCc2oc(=O)[nH]c2O)cc1
|
C27H24N2O5 456.498000 |
VLVRARFHPMWJLF-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50111010; PubChem:CID54398691
|
Local ready
Direct docking supported
|
|
E3L046000
BDB046000
|
BDBM50111440
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(CP(=O)(O)O)cc1)C(=O)N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)NC1(C(=O)N[C@@H](CC(C)C)C(N)=O)CC1
|
C56H74ClN10O14PS 1209.758000 |
FBKFDSUZBVDZIX-FFGDOFBPSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50111440; PubChem:CID9812342
|
Local ready
Direct docking supported
|