| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L050641
BDB050641
|
BDBM50273173
COCCCCn1c(C(=O)N(CC(C)C)[C@@H]2CNC[C@H](C(=O)N3CCOCC3)C2)cc2ccccc21
|
C28H42N4O4 498.668000 |
WXKSQSDEXOSWHB-RPWUZVMVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50273173; PubChem:CID58355366
|
Local ready
Direct docking supported
|
|
E3L050642
BDB050642
|
BDBM50273174
CC(C)CN(C(=O)c1nc2ccccc2[nH]1)[C@@H]1CNC[C@H](C(=O)N2CCOCC2)C1
|
C22H31N5O3 413.522000 |
BGILJKXQGSYODD-SJORKVTESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50273174; PubChem:CID58355176
|
Local ready
Direct docking supported
|
|
E3L050643
BDB050643
|
BDBM50273196
COCCCCc1c(C(=O)N(CC(C)C)[C@@H]2CNC[C@H](C(=O)N3CCOCC3)C2)nc2ccccn12
|
C27H41N5O4 499.656000 |
SIEFDHTYPNIYLU-YADHBBJMSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50273196; PubChem:CID58355573
|
Local ready
Direct docking supported
|
|
E3L050644
BDB050644
|
BDBM50273198
COCCCCn1c(C(=O)N(CC(C)C)[C@@H]2CNC[C@H](CO)C2)nc2ccccc21
|
C23H36N4O3 416.566000 |
UGDFYGPIWKIVNH-MOPGFXCFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50273198; PubChem:CID58355526
|
Local ready
Direct docking supported
|
|
E3L050645
BDB050645
|
BDBM50273199
COCCCCn1c(C(=O)N(CC(C)C)[C@H]2CCCNC2)nc2ccccc21
|
C22H34N4O2 386.540000 |
QYDUTVWSUIIEQU-SFHVURJKSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50273199; PubChem:CID58355440
|
Local ready
Direct docking supported
|
|
E3L050646
BDB050646
|
BDBM50273200
COCCCCc1c(C(=O)N(CC(C)C)[C@@H]2CNC[C@H](C(=O)N3CCOCC3)C2)nc2n1CCCC2
|
C27H45N5O4 503.688000 |
HUXKULGVQNSQNT-YADHBBJMSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50273200; PubChem:CID58355122
|
Local ready
Direct docking supported
|
|
E3L050647
BDB050647
|
BDBM50273201
COCCCCn1c(C(=O)N(CC(C)C)[C@@H]2CNC[C@H](C(=O)N3CCOCC3)C2)nnc1-c1ccccc1
|
C28H42N6O4 526.682000 |
GFOMGTCEPRKYKB-RPWUZVMVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50273201; PubChem:CID58355540
|
Local ready
Direct docking supported
|
|
E3L050648
BDB050648
|
BDBM50273202
COCCCCc1c(C(=O)N(CC(C)C)[C@@H]2CNC[C@H](C(=O)N3CCOCC3)C2)nnn1-c1ccccc1
|
C28H42N6O4 526.682000 |
SEGBKNMSWABOBA-VWNXMTODSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50273202; PubChem:CID58355269
|
Local ready
Direct docking supported
|
|
E3L050649
BDB050649
|
BDBM50273203
COCCCCn1c(C(=O)N(CC(C)C)[C@@H]2CNC[C@H](C(=O)N3CCOCC3)C2)ccc1-c1ccccc1
|
C30H44N4O4 524.706000 |
URICGOHQZDVMJG-FTJBHMTQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50273203; PubChem:CID58355693
|
Local ready
Direct docking supported
|
|
E3L050650
BDB050650
|
BDBM50273208
COCCCCn1c(C(=O)N(CC(C)C)[C@@H]2CNC[C@H](C(=O)N3CCOCC3)C2)cnc1-c1ccccc1
|
C29H43N5O4 525.694000 |
NZIIDCYRLVLIBY-RPBOFIJWSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50273208; PubChem:CID58355464
|
Local ready
Direct docking supported
|
|
E3L050651
BDB050651
|
BDBM50273209
CCn1c(C(=O)N(CC(C)C)[C@@H]2CNC[C@H](CO)C2)nc2ccccc21
|
C20H30N4O2 358.486000 |
IKNCOGQNONQASB-CVEARBPZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50273209; PubChem:CID58355668
|
Local ready
Direct docking supported
|
|
E3L050652
BDB050652
|
BDBM50273210
COCCCCn1c(C(=O)N(CC(C)C)[C@@H]2CNC[C@H](C(=O)N3CCOCC3)C2)cnc1C(C)(C)C
|
C27H47N5O4 505.704000 |
SQDRJHLIBZDEQX-YADHBBJMSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50273210; PubChem:CID145960838
|
Local ready
Direct docking supported
|
|
E3L050653
BDB050653
|
BDBM50273211
COCCCOc1nc(C(C)(C)C)ncc1C(=O)N(CC(C)C)[C@@H]1CNC[C@H](C(=O)N2CCOCC2)C1
|
C27H45N5O5 519.687000 |
YIIUYJDPMKOTIL-RTWAWAEBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50273211; PubChem:CID145963621
|
Local ready
Direct docking supported
|
|
E3L050654
BDB050654
|
BDBM50273232
COCCCCn1nc(C(C)(C)C)cc1C(=O)N(CC(C)C)[C@@H]1CNC[C@H](C(=O)N2CCOCC2)C1
|
C27H47N5O4 505.704000 |
OJNAAOHSDVFQPL-YADHBBJMSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50273232; PubChem:CID145963289
|
Local ready
Direct docking supported
|
|
E3L050655
BDB050655
|
BDBM50273386
Cc1cccc(Nc2cc(Cl)nc(SC(C(=O)O)c3cccc4ccccc34)n2)c1C
|
C24H20ClN3O2S 449.963000 |
KSKMNZFKRMRMDJ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50273386; PubChem:CID11978569
|
Local ready
Direct docking supported
|
|
E3L050656
BDB050656
|
BDBM50273389
CCCCCCC(Sc1nc(Cl)cc(Nc2ccc(-c3ccc(C#N)cc3)cc2)n1)C(=O)O
|
C25H25ClN4O2S 481.021000 |
YDFXLGZNMAZWPZ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50273389; PubChem:CID25179712
|
Local ready
Direct docking supported
|
|
E3L050657
BDB050657
|
BDBM50273469
Cc1oc2ccccc2c1C(=O)c1ccc(OCCC[N+](C)(C)C)cc1
|
C22H26NO3+ 352.454000 |
FKSGUSGEWAFUAT-UHFFFAOYSA-N | O75151, P29375, Q6ZMT4 | Lysine-specific demethylase 7A, Lysine-specific demethylase 5A, Lysine-specific demethylase PHF2 |
BindingDB, PubChem
BindingDB:BDBM50273469; PubChem:CID145946239
|
Local ready
Direct docking supported
|
|
E3L050658
BDB050658
|
BDBM50273470
Cc1oc2ccccc2c1C(=O)c1ccccc1OCCC[N+](C)(C)C
|
C22H26NO3+ 352.454000 |
NNECOGOEZIKFNQ-UHFFFAOYSA-N | O75151, P29375, Q6ZMT4 | Lysine-specific demethylase 7A, Lysine-specific demethylase PHF2, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50273470; PubChem:CID145947923
|
Local ready
Direct docking supported
|
|
E3L050659
BDB050659
|
BDBM50273471
CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCC[N+](CC)(CC)CC)cc1
|
C28H38NO3+ 436.616000 |
BZKPTQVAYDOBFZ-UHFFFAOYSA-N | O75151, P29375, Q6ZMT4 | Lysine-specific demethylase 7A, Lysine-specific demethylase PHF2, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50273471; PubChem:CID145946831
|
Local ready
Direct docking supported
|
|
E3L050660
BDB050660
|
BDBM50273472
CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)O
|
C97H179N36O28+ 2297.723000 |
JYHAVUUEXHSCQE-PQGNQBTRSA-O | O75151, P29375, Q6ZMT4 | Lysine-specific demethylase PHF2, Lysine-specific demethylase 7A, Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50273472
|
Local ready
Direct docking supported
|