| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L043121
BDB043121
|
BDBM50001929
C=CC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCN(c2ccccc2OCCOC)CC1
|
C36H38F6N4O5 720.711000 |
QKOYVKQWXLFSPH-FJQKOURKSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50001929
|
Local ready
Direct docking supported
|
|
E3L043122
BDB043122
|
Apomorphine
CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3
|
C17H17NO2 267.328000 |
VMWNQDUVQKEIOC-CYBMUJFWSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50001955; PubChem:CID6005
|
Local ready
Direct docking supported
|
|
E3L043123
BDB043123
|
(+)-Calanolide A
CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C)[C@@H](C)[C@@H]3O
|
C22H26O5 370.445000 |
NIDRYBLTWYFCFV-FMTVUPSXSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM50002662; PubChem:CID64972
|
Local ready
Direct docking supported
|
|
E3L043124
BDB043124
|
BDBM50002858
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](CNC(=O)C(C)CC(C)C(=O)O)Nc2ccccc2C(=O)c2ccccc2)cc1
|
C41H43N3O6 673.810000 |
CNKPKUMRIWFFOS-DANPJADQSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50002858; PubChem:CID44425844
|
Local ready
Direct docking supported
|
|
E3L043125
BDB043125
|
BDBM50002859
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](CNC(=O)c2ccc(CO)cc2)Nc2ccccc2C(=O)c2ccccc2)cc1
|
C42H39N3O5 665.790000 |
UWKNKXZVKRNTJM-DHUJRADRSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50002859; PubChem:CID44425833
|
Local ready
Direct docking supported
|
|
E3L043126
BDB043126
|
BDBM50002860
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](CNC(=O)CO)Nc2ccccc2C(=O)c2ccccc2)cc1
|
C36H35N3O5 589.692000 |
VSEHBVQBRHSHRV-LJAQVGFWSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50002860; PubChem:CID44425831
|
Local ready
Direct docking supported
|
|
E3L043127
BDB043127
|
BDBM50002862
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](CNC(=O)CNC(=O)c2cccc(CO)c2)Nc2ccccc2C(=O)c2ccccc2)cc1
|
C44H42N4O6 722.842000 |
SOSISBZFJRTYCA-BHVANESWSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50002862; PubChem:CID44425829
|
Local ready
Direct docking supported
|
|
E3L043128
BDB043128
|
BDBM50002863
CCCCCCC(=O)NC[C@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)Nc1ccccc1C(=O)c1ccccc1
|
C41H45N3O4 643.828000 |
SGPBBWOTRFBBTE-UMSFTDKQSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50002863; PubChem:CID44425847
|
Local ready
Direct docking supported
|
|
E3L043129
BDB043129
|
BDBM50002864
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](CNC(=O)C2CCCNC2)Nc2ccccc2C(=O)c2ccccc2)cc1
|
C40H42N4O4 642.800000 |
HMEFQJQZERBEQA-OBOZPERJSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50002864; PubChem:CID44425840
|
Local ready
Direct docking supported
|
|
E3L043130
BDB043130
|
BDBM50002865
COc1ccc(C(=O)NC[C@H](Cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)Nc2ccccc2C(=O)c2ccccc2)cc1
|
C42H39N3O5 665.790000 |
BMWKENYOTPLPCI-UMSFTDKQSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50002865; PubChem:CID44425846
|
Local ready
Direct docking supported
|
|
E3L043131
BDB043131
|
BDBM50002866
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](CNc2ccccn2)Nc2ccccc2C(=O)c2ccccc2)cc1
|
C39H36N4O3 608.742000 |
CZEUGVSJKYVCFU-YTTGMZPUSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50002866; PubChem:CID44425841
|
Local ready
Direct docking supported
|
|
E3L043132
BDB043132
|
BDBM50002867
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](CNC(=O)CNC(=O)c2ccc(O)cc2)Nc2ccccc2C(=O)c2ccccc2)cc1
|
C43H40N4O6 708.815000 |
SRFCYPPPLXTILT-UMSFTDKQSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50002867; PubChem:CID44425836
|
Local ready
Direct docking supported
|
|
E3L043133
BDB043133
|
BDBM50002868
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](CNC(=O)c2ccccc2C(=O)O)Nc2ccccc2C(=O)c2ccccc2)cc1
|
C42H37N3O6 679.773000 |
QOINYWRCTGUCHJ-YTTGMZPUSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50002868; PubChem:CID44425843
|
Local ready
Direct docking supported
|
|
E3L043134
BDB043134
|
BDBM50002869
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](CNC(=O)C2CCC(CN)CC2)Nc2ccccc2C(=O)c2ccccc2)cc1
|
C42H46N4O4 670.854000 |
ACXJRGZNKVVUCQ-MIBGPUDPSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50002869; PubChem:CID44425842
|
Local ready
Direct docking supported
|
|
E3L043135
BDB043135
|
BDBM50002870
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](CNC(=O)CCC(=O)O)Nc2ccccc2C(=O)c2ccccc2)cc1
|
C38H37N3O6 631.729000 |
TUTVRPDXKRGOHP-PMERELPUSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50002870; PubChem:CID44425845
|
Local ready
Direct docking supported
|
|
E3L043136
BDB043136
|
BDBM50002871
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](CNC(=O)C2CCC(O)CC2)Nc2ccccc2C(=O)c2ccccc2)cc1
|
C41H43N3O5 657.811000 |
ZMOVOCKFIGSIMU-VOTNUIJPSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50002871; PubChem:CID44425838
|
Local ready
Direct docking supported
|
|
E3L043137
BDB043137
|
BDBM50002966
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(O)CC(=O)Nc1ccccc1
|
C37H50N6O6 674.843000 |
CGBAPJGYOGMQRS-SGJXLTBMSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50002966; PubChem:CID44344921
|
Local ready
Direct docking supported
|
|
E3L043138
BDB043138
|
BDBM50002967
CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSc1ccccn1
|
C34H49N5O5S2 671.930000 |
XONVKFCNVZUDTQ-KRCBVYEFSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50002967
|
Local ready
Direct docking supported
|
|
E3L043139
BDB043139
|
BDBM50002968
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(O)CCCSc1ccccn1
|
C37H52N6O5S 692.927000 |
SQVHGRVONUSHGR-SGJXLTBMSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50002968
|
Local ready
Direct docking supported
|
|
E3L043140
BDB043140
|
BDBM50002969
CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ncc(CO)n1C
|
C35H54N6O6S2 718.987000 |
UICFCOFDSWADFQ-ORYMTKCHSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50002969
|
Local ready
Direct docking supported
|