| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L057621
BDB057621
|
BDBM50481821
COc1ccccc1/C=N/c1ccc(S(N)(=O)=O)cc1
|
C14H14N2O3S 290.344000 |
QJBJODDBVCLZKN-MHWRWJLKSA-N | P29375, P41229 | Lysine-specific demethylase 5C, Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50481821
|
Local ready
Direct docking supported
|
|
E3L057622
BDB057622
|
BDBM50481825
NS(=O)(=O)c1ccc(C/N=C/c2ccccc2[N+](=O)[O-])cc1
|
C14H13N3O4S 319.342000 |
RODFEBSPUBMOBA-MHWRWJLKSA-N | P29375, P41229 | Lysine-specific demethylase 5C, Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50481825
|
Local ready
Direct docking supported
|
|
E3L057623
BDB057623
|
BDBM50483926
CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)/C(C)=C/C/C(C)=C/[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)\C=C(CO)/C=C(C)\C=C\[C@@H](O)[C@H](C)[C@H](OC)/C(C)=C/C=C/[C@@H]2C)cs1
|
C48H72N2O13S 917.172000 |
PRYQWZDWIKKKKA-OEQLJONYSA-N | P29375, P41229 | Lysine-specific demethylase 5C, Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50483926
|
Local ready
Direct docking supported
|
|
E3L057624
BDB057624
|
Gsk-J4
CCOC(=O)CCNc1cc(N2CCc3ccccc3CC2)nc(-c2ccccn2)n1
|
C24H27N5O2 417.513000 |
WBKCKEHGXNWYMO-UHFFFAOYSA-N | P41229, Q8NHM5 | Lysine-specific demethylase 5C, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM50483927; PubChem:CID71729975
|
Local ready
Direct docking supported
|
|
E3L057625
BDB057625
|
Arylsulfonamide 64B
COc1ccc(S(=O)(=O)N(Cc2ccc3c(n2)C=CC(C)(C)O3)C2CCC2)cc1OC
|
C23H28N2O5S 444.553000 |
CQGIUFASDNXPRB-UHFFFAOYSA-N | Q09472 | Hypoxia-inducible factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50484656; PubChem:CID54575622
|
Local ready
Direct docking supported
|
|
E3L057626
BDB057626
|
BDBM50484848
COc1ccc2cc(CCC(=O)CC(Nc3ccc(S(N)(=O)=O)cc3)c3ccc(Cl)cc3)ccc2c1
|
C28H27ClN2O4S 523.054000 |
DQAIUYLRNJYQPA-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50484848; PubChem:CID46872651
|
Local ready
Direct docking supported
|
|
E3L057627
BDB057627
|
BDBM50484849
COc1ccc2cc(CCC(=O)CC(Nc3ccc(S(N)(=O)=O)cc3)c3ccc(Br)cc3)ccc2c1
|
C28H27BrN2O4S 567.505000 |
LWYZZPQLAIWZKV-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50484849; PubChem:CID46872420
|
Local ready
Direct docking supported
|
|
E3L057628
BDB057628
|
BDBM50484850
COc1ccc2cc(CCC(=O)CC(Nc3ccc(S(N)(=O)=O)cc3)c3ccc(O)cc3)ccc2c1
|
C28H28N2O5S 504.608000 |
OSIVUHGONQBIFR-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50484850; PubChem:CID57345640
|
Local ready
Direct docking supported
|
|
E3L057629
BDB057629
|
BDBM50485362
CC(C)Cc1cc(CNC(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)nn1-c1ccccc1
|
C27H33ClN6O2 509.054000 |
MXHHSWCMOZRCMR-UHFFFAOYSA-N | Q09472, Q92793 | CREB-binding protein, Hypoxia-inducible factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50485362; PubChem:CID66552234
|
Local ready
Direct docking supported
|
|
E3L057630
BDB057630
|
BDBM50486645
O=C(O)c1ccc2[nH]c(=O)c3c(c2c1)CCSC3
|
C13H11NO3S 261.302000 |
UVPWINRBIMVYIR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50486645; PubChem:CID42605668
|
Local ready
Direct docking supported
|
|
E3L057631
BDB057631
|
BDBM50486646
O=C(c1ccc2[nH]c(=O)c3c(c2c1)CCSC3)N1CCN(Cc2ccccc2)CC1
|
C24H25N3O2S 419.550000 |
XYJMVIIISHYPBD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50486646; PubChem:CID42606240
|
Local ready
Direct docking supported
|
|
E3L057632
BDB057632
|
BDBM50486647
CCCN1CCN(C(=O)c2ccc3[nH]c(=O)c4c(c3c2)CCSC4)CC1
|
C20H25N3O2S 371.506000 |
JLTLKUVDHHGCEQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50486647; PubChem:CID66560845
|
Local ready
Direct docking supported
|
|
E3L057633
BDB057633
|
BDBM50486648
O=C(c1ccc2[nH]c(=O)c3c(c2c1)CCSC3)N1CCN(C2CCCC2)CC1
|
C22H27N3O2S 397.544000 |
HJWIYFILFVGNTO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50486648; PubChem:CID76319006
|
Local ready
Direct docking supported
|
|
E3L057634
BDB057634
|
BDBM50486649
O=C(NCCN1CCOCC1)c1ccc2[nH]c(=O)c3c(c2c1)CCSC3
|
C19H23N3O3S 373.478000 |
QGXPOWIQHXIMBK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50486649; PubChem:CID42606009
|
Local ready
Direct docking supported
|
|
E3L057635
BDB057635
|
BDBM50486650
O=C(c1ccc2[nH]c(=O)c3c(c2c1)CCSC3)N1CCN(c2ccncc2)CC1
|
C22H22N4O2S 406.511000 |
ALVCNAQVHODZOA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50486650; PubChem:CID70264189
|
Local ready
Direct docking supported
|
|
E3L057636
BDB057636
|
BDBM50486651
O=C(c1ccc2[nH]c(=O)c3c(c2c1)CCSC3)N1CCN(CCc2ccccc2)CC1
|
C25H27N3O2S 433.577000 |
FDECQAPGGPAENB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50486651; PubChem:CID42606356
|
Local ready
Direct docking supported
|
|
E3L057637
BDB057637
|
BDBM50486652
CCCCCCN1CCN(C(=O)c2ccc3[nH]c(=O)c4c(c3c2)CCSC4)CC1
|
C23H31N3O2S 413.587000 |
JGNQGCFKLGJQFX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50486652; PubChem:CID70265346
|
Local ready
Direct docking supported
|
|
E3L057638
BDB057638
|
BDBM50486653
CCCCCN1CCN(C(=O)c2ccc3[nH]c(=O)c4c(c3c2)CCSC4)CC1
|
C22H29N3O2S 399.560000 |
BHIKZGNFFUUMPJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50486653; PubChem:CID42606484
|
Local ready
Direct docking supported
|
|
E3L057639
BDB057639
|
BDBM50486654
CCCCN1CCN(C(=O)c2ccc3[nH]c(=O)c4c(c3c2)CCSC4)CC1
|
C21H27N3O2S 385.533000 |
IUKBNZFGSTXDJO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50486654; PubChem:CID42606480
|
Local ready
Direct docking supported
|
|
E3L057640
BDB057640
|
BDBM50486655
CCN1CCN(C(=O)c2ccc3[nH]c(=O)c4c(c3c2)CCSC4)CC1
|
C19H23N3O2S 357.479000 |
LFDGHFFVVMPLPK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50486655; PubChem:CID42606242
|
Local ready
Direct docking supported
|