| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L058301
BDB058301
|
BDBM50506839
CC(=O)c1cccc(NC(=O)CCN2CCc3ccccc3C2)c1
|
C20H22N2O2 322.408000 |
AHVDWGYMSVZTEB-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50506839; PubChem:CID109024599
|
Local ready
Direct docking supported
|
|
E3L058302
BDB058302
|
BDBM50507481
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](Cc4ccccc4)NC(=O)CNC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]4CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC3=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](C)C(=O)N2
|
C142H224N50O46S6 3560.060000 |
WONGRAWCJSVHOJ-GYRZNHFHSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50507481; PubChem:CID155559920
|
Local ready
Direct docking supported
|
|
E3L058303
BDB058303
|
BDBM50507482
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](Cc4ccccc4)NC(=O)CNC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]4CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N4)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC3=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](C)C(=O)N2
|
C138H208N44O50S6 3475.842000 |
KHTRPJFHQNRISN-SUQRTAHISA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50507482; PubChem:CID155546346
|
Local ready
Direct docking supported
|
|
E3L058304
BDB058304
|
BDBM50508101
CCCCc1nc(C)c(CC(=O)OC(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
|
C29H32N4O5 516.598000 |
PGMIYLHRNPRORQ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50508101; PubChem:CID137532805
|
Local ready
Direct docking supported
|
|
E3L058305
BDB058305
|
BDBM50508102
CCCCc1nc(C(C)C)c(CC(=O)OCCC)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
|
C31H36N4O5 544.652000 |
MKSCKTRVHXXNTL-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50508102; PubChem:CID155548268
|
Local ready
Direct docking supported
|
|
E3L058306
BDB058306
|
BDBM50508103
CCCCOC(=O)Cc1c(C)nc(CCCC)n(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c1=O
|
C30H34N4O5 530.625000 |
OPXOOYDPOJREIU-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50508103; PubChem:CID142534055
|
Local ready
Direct docking supported
|
|
E3L058307
BDB058307
|
BDBM50508104
CC#CCOC(=O)Cc1c(C(C)C)nc(CCCC)n(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c1=O
|
C32H34N4O5 554.647000 |
SUCARSLIDMTYAZ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50508104; PubChem:CID155568743
|
Local ready
Direct docking supported
|
|
E3L058308
BDB058308
|
BDBM50508105
CCCCc1nc(C(C)C)c(CC(=O)OC2CCCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
|
C34H40N4O5 584.717000 |
BOPHDAOHEHIAES-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50508105; PubChem:CID155551777
|
Local ready
Direct docking supported
|
|
E3L058309
BDB058309
|
BDBM50508106
CCCCc1nc(C(C)C)c(CC(=O)OC2CC2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
|
C31H34N4O5 542.636000 |
UZEYIHGLVLFDHD-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50508106; PubChem:CID155541022
|
Local ready
Direct docking supported
|
|
E3L058310
BDB058310
|
BDBM50508107
CCCCCOC(=O)Cc1c(C(C)C)nc(CCCC)n(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c1=O
|
C33H40N4O5 572.706000 |
ZADKYUDGCFBCRO-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50508107; PubChem:CID155563965
|
Local ready
Direct docking supported
|
|
E3L058311
BDB058311
|
BDBM50508108
CCCCOC(=O)Cc1c(C(C)C)nc(CCCC)n(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c1=O
|
C32H38N4O5 558.679000 |
HMTZNBGWYNBOQD-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50508108; PubChem:CID155544658
|
Local ready
Direct docking supported
|
|
E3L058312
BDB058312
|
BDBM50508109
CCCCc1nc(C(C)C)c(CC(=O)O)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
|
C28H30N4O5 502.571000 |
VKHQVPXSJUZZQH-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50508109; PubChem:CID142534134
|
Local ready
Direct docking supported
|
|
E3L058313
BDB058313
|
BDBM50508110
CCCCC1=NC(C(C)C)=C(CC(=S)N2CCCC2)CN1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
|
C32H39N5O2S 557.764000 |
BFLRUGGONDZDFO-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50508110; PubChem:CID155517399
|
Local ready
Direct docking supported
|
|
E3L058314
BDB058314
|
BDBM50508111
CCCCC1=NC(C)=C(CC(=S)N(C)C)CN1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1
|
C27H33N7S 487.677000 |
JXBMFKLNAISDAV-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50508111; PubChem:CID155542482
|
Local ready
Direct docking supported
|
|
E3L058315
BDB058315
|
BDBM50508112
CCCCc1nc(C(C)C)c(CC(=O)OCC)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
|
C30H34N4O5 530.625000 |
AGTBDYUKVYUOHD-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50508112; PubChem:CID137527725
|
Local ready
Direct docking supported
|
|
E3L058316
BDB058316
|
BDBM50508113
CCCCc1nc(C2CC2)c(CC(=O)OC(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
|
C31H34N4O5 542.636000 |
ORYVTWWTDNIOGG-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50508113; PubChem:CID155523050
|
Local ready
Direct docking supported
|
|
E3L058317
BDB058317
|
BDBM50508114
CCCCc1nc(C)c(CC(=O)OCC2CCCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
|
C33H38N4O5 570.690000 |
ZKBCDMWFWUDLED-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50508114; PubChem:CID155531660
|
Local ready
Direct docking supported
|
|
E3L058318
BDB058318
|
BDBM50508115
CCCCc1nc(C)c(CC(=O)OCC2CC2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
|
C30H32N4O5 528.609000 |
ISXZEQNKTBOEAW-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50508115; PubChem:CID155533937
|
Local ready
Direct docking supported
|
|
E3L058319
BDB058319
|
BDBM50508116
CCCCc1nc(C(C)C)c(CC(=O)OCC(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
|
C30H31F3N4O5 584.595000 |
OJPSGQSJKTYSKH-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50508116; PubChem:CID155547835
|
Local ready
Direct docking supported
|
|
E3L058320
BDB058320
|
BDBM50508117
CC#CCOC(=O)Cc1c(C)nc(CCCC)n(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c1=O
|
C30H30N4O5 526.593000 |
CBIHCXRPTVTWRK-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50508117; PubChem:CID155530219
|
Local ready
Direct docking supported
|