| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L055681
BDB055681
|
BDBM50426782
CCc1nc2ccn(Cc3cccc(C(F)(F)F)c3)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[nH]3)ccc21
|
C32H26F3N7O 581.602000 |
YUIAYRGCSUGVPK-MHZLTWQESA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50426782; PubChem:CID71521504
|
Local ready
Direct docking supported
|
|
E3L055682
BDB055682
|
BDBM50426783
CCc1nc2ccn(Cc3cccc(C)c3)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[nH]3)ccc21
|
C32H29N7O 527.632000 |
LUULXVDREBHUFH-NDEPHWFRSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50426783; PubChem:CID71521503
|
Local ready
Direct docking supported
|
|
E3L055683
BDB055683
|
BDBM50426784
CCc1nc2ccn(Cc3cccc(F)c3)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[nH]3)ccc21
|
C31H26FN7O 531.595000 |
JLNFWGWIKOBDNT-MHZLTWQESA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50426784; PubChem:CID71521419
|
Local ready
Direct docking supported
|
|
E3L055684
BDB055684
|
BDBM50426785
CCc1nc2ccn(Cc3ccccc3OC(F)(F)F)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[nH]3)ccc21
|
C32H26F3N7O2 597.601000 |
HSLSRQGULQKHNQ-SANMLTNESA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50426785; PubChem:CID71521418
|
Local ready
Direct docking supported
|
|
E3L055685
BDB055685
|
BDBM50426786
CCc1nc2ccn(Cc3ccccc3C(F)(F)F)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[nH]3)ccc21
|
C32H26F3N7O 581.602000 |
HCESEAYWJXZRBP-MHZLTWQESA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50426786; PubChem:CID71521417
|
Local ready
Direct docking supported
|
|
E3L055686
BDB055686
|
BDBM50426787
CCc1nc2ccn(Cc3ccccc3C#N)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[nH]3)ccc21
|
C32H26N8O 538.615000 |
NBDDZFPMRAAKFW-NDEPHWFRSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50426787; PubChem:CID71521416
|
Local ready
Direct docking supported
|
|
E3L055687
BDB055687
|
BDBM50426788
CCc1nc2ccn(Cc3ccccc3C)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[nH]3)ccc21
|
C32H29N7O 527.632000 |
RTDOCGJRLLGHRA-NDEPHWFRSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50426788; PubChem:CID71521302
|
Local ready
Direct docking supported
|
|
E3L055688
BDB055688
|
BDBM50426789
CCc1nc2ccn(Cc3ccccc3F)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[nH]3)ccc21
|
C31H26FN7O 531.595000 |
BBYUTVUIMAGYDW-MHZLTWQESA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50426789; PubChem:CID71521301
|
Local ready
Direct docking supported
|
|
E3L055689
BDB055689
|
BDBM50426790
CCc1nc2ccn(CC3CCCCC3)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[nH]3)ccc21
|
C31H33N7O 519.653000 |
APNCHNPXBSTDKE-MHZLTWQESA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50426790; PubChem:CID71521300
|
Local ready
Direct docking supported
|
|
E3L055690
BDB055690
|
BDBM50427036
COCCCCC1(CNC(=O)C2CCCNC2)c2ccccc2Oc2ccccc21
|
C25H32N2O3 408.542000 |
DRGBEZGEYKBZRH-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50427036; PubChem:CID11963439
|
Local ready
Direct docking supported
|
|
E3L055691
BDB055691
|
BDBM50427037
Cc1ccc(S(=O)(=O)N[C@H]2CNC[C@@H](C(=O)NCC(c3ccccc3)c3ccccc3)C2)cc1
|
C27H31N3O3S 477.630000 |
TUYPQRDSHLXMFM-BJKOFHAPSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50427037; PubChem:CID11993712
|
Local ready
Direct docking supported
|
|
E3L055692
BDB055692
|
BDBM50427038
COCCCCC1(CNC(=O)[C@H]2CNC[C@@H](NS(=O)(=O)c3ccc(C)cc3)C2)c2ccccc2Oc2ccccc21
|
C32H39N3O5S 577.747000 |
LBPUIWQYAGTBDC-RPBOFIJWSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50427038; PubChem:CID71601779
|
Local ready
Direct docking supported
|
|
E3L055693
BDB055693
|
BDBM50427039
Cc1ccc(S(=O)(=O)N[C@H]2CNC[C@@H](C(=O)NCC3c4ccccc4Oc4ccccc43)C2)cc1
|
C27H29N3O4S 491.613000 |
SOEKUZSTSXYGKH-VQTJNVASSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50427039; PubChem:CID11949623
|
Local ready
Direct docking supported
|
|
E3L055694
BDB055694
|
BDBM50427040
COCCCCC1(CNC(=O)[C@@H]2CNC[C@H](NS(=O)(=O)c3ccc(C)cc3)C2)c2ccccc2Oc2ccccc21
|
C32H39N3O5S 577.747000 |
LBPUIWQYAGTBDC-LOSJGSFVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50427040; PubChem:CID11963435
|
Local ready
Direct docking supported
|
|
E3L055695
BDB055695
|
BDBM50427041
CC(O)CN1CC2c3ccccc3Nc3ccccc3C2C1
|
C19H22N2O 294.398000 |
YYQAYXMWMPNPOG-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50427041; PubChem:CID71716182
|
Local ready
Direct docking supported
|
|
E3L055696
BDB055696
|
1-pyrrolidin-1-yl-3-(9H-thioxanthen-9-yl)propan-2-ol
OC(CC1c2ccccc2Sc2ccccc21)CN1CCCC1
|
C20H23NOS 325.477000 |
SJCVUEZFZDNDKT-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50427042; PubChem:CID71718000
|
Local ready
Direct docking supported
|
|
E3L055697
BDB055697
|
BDBM50427043
Cc1ccc(S(=O)(=O)N[C@@H]2CNC[C@H](C(=O)NCC(c3ccccc3)c3ccccc3)C2)cc1
|
C27H31N3O3S 477.630000 |
TUYPQRDSHLXMFM-RPWUZVMVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50427043; PubChem:CID71717999
|
Local ready
Direct docking supported
|
|
E3L055698
BDB055698
|
BDBM50427564
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2Cc2ccccc2)C(C)C)ccc1OC
|
C27H38N2O4 454.611000 |
PHCCFIGNVNPMML-RPWUZVMVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50427564; PubChem:CID11518143
|
Local ready
Direct docking supported
|
|
E3L055699
BDB055699
|
BDBM50427565
Clc1ccc(N(C[C@@H]2CNC[C@H]2Cc2ccccc2)c2ccccc2)cc1
|
C24H25ClN2 376.931000 |
FCWGSUKXROLTNW-RTWAWAEBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50427565; PubChem:CID11632240
|
Local ready
Direct docking supported
|
|
E3L055700
BDB055700
|
BDBM50427566
COCCCOc1cc(C(=O)N(C[C@H]2CNC[C@@H]2Cc2ccccc2)C(C)C)ccc1OC
|
C27H38N2O4 454.611000 |
PHCCFIGNVNPMML-BJKOFHAPSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50427566; PubChem:CID11705154
|
Local ready
Direct docking supported
|