| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L063021
BDB063021
|
BDBM50609278
CCCCCCCN(C)Cc1ccc(-c2[nH]c3c(C#N)cnn3c(=O)c2C(C)C)cc1
|
C25H33N5O 419.573000 |
UKXVHLNXXTWGHG-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50609278
|
Local ready
Direct docking supported
|
|
E3L063022
BDB063022
|
BDBM50609279
CN(C)C/C=C/C(=O)Nc1cccc(C(OCCN2CCCCC2)c2cc3nccc(C(=O)O)c3[nH]2)c1
|
C28H35N5O4 505.619000 |
PATSJMHSNAENAO-JXMROGBWSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50609279; PubChem:CID171354794
|
Local ready
Direct docking supported
|
|
E3L063023
BDB063023
|
BDBM50609280
CC(C)OC(=O)c1ccnc2cc(C(OCCN3CCCCC3)c3cccc(NC(=O)/C=C/CN(C)C)c3)[nH]c12
|
C31H41N5O4 547.700000 |
MQPYAXPCLQILKZ-FMIVXFBMSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50609280; PubChem:CID171352421
|
Local ready
Direct docking supported
|
|
E3L063024
BDB063024
|
BDBM50609281
CCN(CCN(C)C)C(=O)CNCc1cc(C(=O)Oc2ccc(OC(C)C)cc2OC(C)C)ccn1
|
C27H40N4O5 500.640000 |
APYABXFXNNTCQD-UHFFFAOYSA-N | P29375, P41229 | Lysine-specific demethylase 5A, Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50609281; PubChem:CID146374976
|
Local ready
Direct docking supported
|
|
E3L063025
BDB063025
|
BDBM50609282
COCC(=O)CCNc1cc(N2CCc3ccccc3CC2)nc(-c2ccccn2)n1
|
C24H27N5O2 417.513000 |
BXYDJVPUNRVZON-UHFFFAOYSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50609282; PubChem:CID171352567
|
Local ready
Direct docking supported
|
|
E3L063026
BDB063026
|
6-Methyl-2-(4-methylphenyl)imidazo(1,2-a)pyridine
Cc1ccc(-c2cn3cc(C)ccc3n2)cc1
|
C15H14N2 222.291000 |
AWEWSJJCANQFRB-UHFFFAOYSA-N | P29375, P41229 | Lysine-specific demethylase 5C, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50609283; PubChem:CID667720
|
Local ready
Direct docking supported
|
|
E3L063027
BDB063027
|
BDBM50609284
C=C/C(O[C@H](C)C(=O)NCC(=O)NCC(=O)O)=c1/c2c(c(=O)oc1=C)CCC2
|
C19H22N2O7 390.392000 |
FCSFQXYKHFZUTC-YOEHMKRZSA-N | P29375, P41229 | Lysine-specific demethylase 5A, Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50609284; PubChem:CID171346285
|
Local ready
Direct docking supported
|
|
E3L063028
BDB063028
|
BDBM50609285
CCCCC1Oc2ccccc2C1C(=O)c1cc(I)c(OCCC[N+](C)(C)C)c(I)c1
|
C25H32I2NO3+ 648.343000 |
LQXRCKBTNAXXHU-UHFFFAOYSA-N | P29375, Q9H160 | Inhibitor of growth protein 2, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50609285; PubChem:CID171347710
|
Local ready
Direct docking supported
|
|
E3L063029
BDB063029
|
BDBM50609286
CCCCC1Oc2ccccc2C1C(=O)c1cc(I)c(OCCCC[N+](C)(C)C)c(I)c1
|
C26H34I2NO3+ 662.370000 |
UKQKJUSVAXXPCW-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50609286; PubChem:CID171350915
|
Local ready
Direct docking supported
|
|
E3L063030
BDB063030
|
BDBM50609343
[2H]C([2H])(Nc1ncc(-c2cccnc2C)c(=O)[nH]1)c1c(F)ccc2c1CCO2
|
C19H17FN4O2 354.381204 |
JDPYJBMTKJVOKT-KNXIQCGSSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50609343; PubChem:CID171342399
|
Local ready
Direct docking supported
|
|
E3L063031
BDB063031
|
BDBM50609344
Cc1cc(C)n(-c2cc(N3CCCc4ccccc43)ccc2[N+](=O)[O-])n1
|
C20H20N4O2 348.406000 |
IBBXGBXXNJYGSZ-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50609344; PubChem:CID171346565
|
Local ready
Direct docking supported
|
|
E3L063032
BDB063032
|
BDBM50609345
CC[C@H](C)C1NC(=O)[C@H](CCCCN)NC(=O)[C@@](C)(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(C)=O)CCC/C=C/CCC[C@@](C)(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)NC(=O)[C@H](CC(C)C)NC1=O
|
C155H256N48O40 3432.049000 |
SYHNQEAAZWGLKW-JGNINCOKSA-N | O75530 | Polycomb protein EED |
BindingDB
BindingDB:BDBM50609345
|
Local ready
Direct docking supported
|
|
E3L063033
BDB063033
|
BDBM50609393
COc1cc2c(cc1OC)C(=O)/C(=C/c1ccccc1OCCc1cccs1)C2
|
C24H22O4S 406.503000 |
NALIFVUCAGHUQG-LDADJPATSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50609393; PubChem:CID171344232
|
Local ready
Direct docking supported
|
|
E3L063034
BDB063034
|
BDBM50609394
COC(=O)c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)CC(C)(C)C)cc1
|
C20H28N2O5 376.453000 |
LUXKEEIMLQRZAH-CVEARBPZSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM50609394; PubChem:CID168317737
|
Local ready
Direct docking supported
|
|
E3L063035
BDB063035
|
BDBM50609429
COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)NCCOCCOCCNC(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
|
C48H44ClFN8O11 963.376000 |
GYKNPXCQINZRLL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50609429
|
Local ready
Direct docking supported
|
|
E3L063036
BDB063036
|
BDBM50609593
Cc1c(C)n(Cc2ccc(C(C)(C)C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)cc12
|
C33H36N2O3 508.662000 |
DVWSHWWLAFDNHD-NRFANRHFSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50609593; PubChem:CID71478927
|
Local ready
Direct docking supported
|
|
E3L063037
BDB063037
|
BDBM50609912
O=C1CN(Cc2cn(-c3ccccc3F)nn2)C2(CCCCC2)c2ccccc21
|
C23H23FN4O 390.462000 |
UYZZDYYJQBZWAP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50609912; PubChem:CID171351208
|
Local ready
Direct docking supported
|
|
E3L063038
BDB063038
|
BDBM50609913
O=C1CCc2cc(-c3ccccc3F)ccc2C2(CCCCC2)N1
|
C21H22FNO 323.411000 |
FUUOPLKUAWRLLD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50609913; PubChem:CID171357215
|
Local ready
Direct docking supported
|
|
E3L063039
BDB063039
|
BDBM50609914
Cc1nnc2n1N=C(c1ccccc1OCCNCCCNCCOc1ccccc1C1=Nn3c(C)nnc3SC1)CS2
|
C29H34N10O2S2 618.793000 |
POVQQXDQCONOIG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50609914; PubChem:CID171355114
|
Local ready
Direct docking supported
|
|
E3L063040
BDB063040
|
BDBM50609915
CC(c1nc2cccc(C(N)=O)c2[nH]1)N1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=S
|
C20H16F3N5O2S 447.442000 |
TUDSHWAWWDYCMO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50609915; PubChem:CID171356308
|
Local ready
Direct docking supported
|