| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L051121
BDB051121
|
2-(Styrylthio)Acetic Acid
O=C(O)CS/C=C/c1ccccc1
|
C10H10O2S 194.255000 |
IUEVBKDVPSQVLM-VOTSOKGWSA-N | P19021 | Peptidyl-glycine alpha-amidating monooxygenase |
BindingDB, PubChem
BindingDB:BDBM50288771; PubChem:CID5474136
|
Local ready
Direct docking supported
|
|
E3L051122
BDB051122
|
BDBM50289713
CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1Cc2ccccc2N1
|
C29H43N5O4 525.694000 |
DICOSGSZTYGFQB-LQKXBMCVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50289713; PubChem:CID44298391
|
Local ready
Direct docking supported
|
|
E3L051123
BDB051123
|
BDBM50289714
CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2ccccc2[nH]1
|
C29H41N5O4 523.678000 |
WOVROQCAJRMPKP-MNUOIFNESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50289714; PubChem:CID10436816
|
Local ready
Direct docking supported
|
|
E3L051124
BDB051124
|
BDBM50289715
CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2cccnc2[nH]1
|
C28H40N6O4 524.666000 |
CSXSYYXSDINJPJ-LFBFJMOVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50289715; PubChem:CID44298423
|
Local ready
Direct docking supported
|
|
E3L051125
BDB051125
|
BDBM50289716
CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2cc(F)ccc2[nH]1
|
C29H40FN5O4 541.668000 |
GQORGUOHDKHJIQ-MNUOIFNESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50289716; PubChem:CID10030228
|
Local ready
Direct docking supported
|
|
E3L051126
BDB051126
|
BDBM50289717
CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2ccccc2s1
|
C29H40N4O4S 540.730000 |
QIPWQPZITPSCPA-QORCZRPOSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50289717; PubChem:CID44298379
|
Local ready
Direct docking supported
|
|
E3L051127
BDB051127
|
BDBM50289718
CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2cc(O)ccc2[nH]1
|
C29H41N5O5 539.677000 |
OALTVEIXZKIZDK-MNUOIFNESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50289718; PubChem:CID44298435
|
Local ready
Direct docking supported
|
|
E3L051128
BDB051128
|
BDBM50289719
CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccc[nH]1
|
C25H39N5O4 473.618000 |
XLPHNZIXCGYIJI-MLCQCVOFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50289719; PubChem:CID44298499
|
Local ready
Direct docking supported
|
|
E3L051129
BDB051129
|
BDBM50289720
CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
|
C29H40ClN5O4 558.123000 |
YUDDYUBULVKQHY-MNUOIFNESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50289720; PubChem:CID44298422
|
Local ready
Direct docking supported
|
|
E3L051130
BDB051130
|
BDBM50289721
CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1Cc2ccccc2CN1
|
C30H45N5O4 539.721000 |
YYFIOZFPUHACEI-XLIKFSOKSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50289721
|
Local ready
Direct docking supported
|
|
E3L051131
BDB051131
|
BDBM50289722
CC(=O)n1c(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)C[C@H](O)C(C)C)cc2ccccc21
|
C31H43N5O5 565.715000 |
QBOFHWOYCVOEDL-NSIYGSDQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50289722; PubChem:CID44298408
|
Local ready
Direct docking supported
|
|
E3L051132
BDB051132
|
BDBM50289723
CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2ccccc2o1
|
C29H40N4O5 524.662000 |
AOSGZNKQWXSFGB-QORCZRPOSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50289723; PubChem:CID44298518
|
Local ready
Direct docking supported
|
|
E3L051133
BDB051133
|
BDBM50289724
CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2ccccc2c(=O)[nH]1
|
C30H41N5O5 551.688000 |
XCMSMCVNTJWVOL-MNUOIFNESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50289724; PubChem:CID44298437
|
Local ready
Direct docking supported
|
|
E3L051134
BDB051134
|
BDBM50289725
CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2ccccc2cn1
|
C30H41N5O4 535.689000 |
OIAJUAFTHLOOTI-VNNZRSTGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50289725; PubChem:CID44298519
|
Local ready
Direct docking supported
|
|
E3L051135
BDB051135
|
BDBM50289726
CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1nc2ccccc2[nH]1
|
C28H40N6O4 524.666000 |
BMAKJXIKYPDIHI-QORCZRPOSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50289726; PubChem:CID44298461
|
Local ready
Direct docking supported
|
|
E3L051136
BDB051136
|
BDBM50289727
CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC(O)CC1
|
C36H56N6O6 668.880000 |
MOZRNOTXRYBDCM-ZTTXAYQISA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50289727
|
Local ready
Direct docking supported
|
|
E3L051137
BDB051137
|
BDBM50290268
C=CCC/C=C/C(=O)NCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1
|
C19H22N2O4S 374.462000 |
AUUZPKBQJOFRGT-AATRIKPKSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50290268; PubChem:CID91934535
|
Local ready
Direct docking supported
|
|
E3L051138
BDB051138
|
BDBM50290269
CCCCCCC(=O)NCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1
|
C19H26N2O4S 378.494000 |
PGODMNMGCMXQAU-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50290269; PubChem:CID91934536
|
Local ready
Direct docking supported
|
|
E3L051139
BDB051139
|
BDBM50290270
CCCCC(=O)N(C)CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1
|
C18H24N2O4S 364.467000 |
NRZAIVGUHLFXRK-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50290270; PubChem:CID91934537
|
Local ready
Direct docking supported
|
|
E3L051140
BDB051140
|
BDBM50290271
CCCCCCCCC(=O)N(C)CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1
|
C22H32N2O4S 420.575000 |
AFWXNWOCZKLJCF-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50290271; PubChem:CID91934538
|
Local ready
Direct docking supported
|