| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L044741
BDB044741
|
5-Amino-2-methylindole
Cc1cc2cc(N)ccc2[nH]1
|
C9H10N2 146.193000 |
JQULCCZIXYRBSE-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50037813; PubChem:CID2733992
|
Local ready
Direct docking supported
|
|
E3L044742
BDB044742
|
Benzamidine
N=C(N)c1ccccc1
|
C7H8N2 120.155000 |
PXXJHWLDUBFPOL-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50038002; PubChem:CID2332
|
Local ready
Direct docking supported
|
|
E3L044743
BDB044743
|
2-(3,4-Dihydroxybenzylidene)benzofuran-3(2H)-one
O=C1/C(=C\c2ccc(O)c(O)c2)Oc2ccccc21
|
C15H10O4 254.241000 |
HCBULGQMULJTCM-RIYZIHGNSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50038423; PubChem:CID21100709
|
Local ready
Direct docking supported
|
|
E3L044744
BDB044744
|
BDBM50039153
C/C(=C\C(=O)c1ccccc1)NC(Cc1ccc(OCCOc2ccc(/C=C/c3ccccc3)cc2)cc1)C(=O)O
|
C35H33NO5 547.651000 |
LJCBFOPJUDOLHP-HINCYOGESA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50039153; PubChem:CID118721127
|
Local ready
Direct docking supported
|
|
E3L044745
BDB044745
|
BDBM50039159
C/C(=C\C(=O)c1ccccc1)NC(Cc1ccc(OCCCOc2ccc(/C=C/c3ccccc3)cc2)cc1)C(=O)O
|
C36H35NO5 561.678000 |
CKEDRKQJRZQAFF-MIBBFHLLSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50039159; PubChem:CID118721128
|
Local ready
Direct docking supported
|
|
E3L044746
BDB044746
|
BDBM50039163
C/C(=C\C(=O)c1ccccc1)NC(Cc1ccc(OCCOc2ccc(/C=C/c3ccc(Cl)cc3)cc2)cc1)C(=O)O
|
C35H32ClNO5 582.096000 |
MCLSRHURJNOKGH-QWYPLIDPSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50039163; PubChem:CID118721129
|
Local ready
Direct docking supported
|
|
E3L044747
BDB044747
|
BDBM50039164
C/C(=C\C(=O)c1ccccc1)NC(Cc1ccc(OCCCOc2ccc(/C=C/c3ccc(Cl)cc3)cc2)cc1)C(=O)O
|
C36H34ClNO5 596.123000 |
NHZMLWWPTQXOCI-KFVALODYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50039164; PubChem:CID118721130
|
Local ready
Direct docking supported
|
|
E3L044748
BDB044748
|
BDBM50039165
C/C(=C\C(=O)c1ccccc1)NC(Cc1ccc(OCCOc2ccc(/C=C/c3ccc(C)cc3)cc2)cc1)C(=O)O
|
C36H35NO5 561.678000 |
HIPZCDIBYWMBCR-PDHZJVROSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50039165; PubChem:CID118721131
|
Local ready
Direct docking supported
|
|
E3L044749
BDB044749
|
BDBM50039166
C/C(=C\C(=O)c1ccccc1)NC(Cc1ccc(OCCOc2ccc(/C=C/c3ccc(C(F)(F)F)cc3)cc2)cc1)C(=O)O
|
C36H32F3NO5 615.648000 |
OKMUEACCCPINBF-QWYPLIDPSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50039166; PubChem:CID118721132
|
Local ready
Direct docking supported
|
|
E3L044750
BDB044750
|
BDBM50039167
C/C(=C\C(=O)c1ccccc1)NC(Cc1ccc(OCCCOc2ccc(/C=C/c3ccc(C(F)(F)F)cc3)cc2)cc1)C(=O)O
|
C37H34F3NO5 629.675000 |
FBXZVOSCSVRFCH-KFVALODYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50039167; PubChem:CID118721133
|
Local ready
Direct docking supported
|
|
E3L044751
BDB044751
|
BDBM50039168
C/C(=C\C(=O)c1ccccc1)NC(Cc1ccc(OCCOc2ccc(/N=N/c3ccccc3)cc2)cc1)C(=O)O
|
C33H31N3O5 549.627000 |
WKJKSKFBPGNRMY-ZUNIDJIGSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50039168
|
Local ready
Direct docking supported
|
|
E3L044752
BDB044752
|
BDBM50039169
C/C(=C\C(=O)c1ccccc1)NC(Cc1ccc(OCCCOc2ccc(/N=N/c3ccccc3)cc2)cc1)C(=O)O
|
C34H33N3O5 563.654000 |
NWKLMPPRHKWFNB-PSLOTRKISA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50039169
|
Local ready
Direct docking supported
|
|
E3L044753
BDB044753
|
BDBM50039179
C/C(=C\C(=O)c1ccccc1)NC(Cc1ccc(OCCOc2ccc(/N=N/c3ccc(Cl)cc3)cc2)cc1)C(=O)O
|
C33H30ClN3O5 584.072000 |
OVZLYMORBGOYBX-NMBMJBOLSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50039179
|
Local ready
Direct docking supported
|
|
E3L044754
BDB044754
|
BDBM50039182
C/C(=C\C(=O)c1ccccc1)NC(Cc1ccc(OCCCOc2ccc(/N=N/c3ccc(Cl)cc3)cc2)cc1)C(=O)O
|
C34H32ClN3O5 598.099000 |
NTMVQYZTJNBEGH-BNCQODIISA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50039182
|
Local ready
Direct docking supported
|
|
E3L044755
BDB044755
|
BDBM50039255
C/C(=C\C(=O)c1ccccc1)NC(Cc1ccc(OCCCOc2ccc(/N=N/c3ccc([N+](=O)[O-])cc3)cc2)cc1)C(=O)O
|
C34H32N4O7 608.651000 |
KQXVSKMGILMCIA-VLVCJLCASA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50039255
|
Local ready
Direct docking supported
|
|
E3L044756
BDB044756
|
BDBM50039280
CC(=O)/C=C(\C)NC(Cc1ccc(OCCOc2ccc(/C=C/c3ccccc3)cc2)cc1)C(=O)O
|
C30H31NO5 485.580000 |
INGAFLWRLOIMIO-HJHDXWHGSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50039280; PubChem:CID118721140
|
Local ready
Direct docking supported
|
|
E3L044757
BDB044757
|
BDBM50039325
O=C(/C=C/c1ccccc1)NC(Cc1ccc(OCCOc2ccc(/C=C/c3ccccc3)cc2)cc1)C(=O)O
|
C34H31NO5 533.624000 |
MZQFEUCJXMACCJ-SDHXDSNUSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50039325; PubChem:CID118721141
|
Local ready
Direct docking supported
|
|
E3L044758
BDB044758
|
BDBM50040380
CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)OP(=O)(O)CCCc1ccccc1
|
C29H49N2O6P 552.693000 |
MPIMSIROJYQCNO-DTBHQADXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50040380; PubChem:CID10030516
|
Local ready
Direct docking supported
|
|
E3L044759
BDB044759
|
BDBM50040382
CCCCNC(=O)[C@@H](C)C[C@@H](O)[C@@H](CC1CCCCC1)NC(=O)[C@H](CCCC)OP(=O)(O)CCCc1ccccc1
|
C32H55N2O6P 594.774000 |
MIHZWSQPXITQHW-XHDJHXHHSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50040382; PubChem:CID44364011
|
Local ready
Direct docking supported
|
|
E3L044760
BDB044760
|
BDBM50040383
CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCC)OP(=O)(O)CCCc1ccccc1
|
C31H53N2O6P 580.747000 |
NEIVDWDBIVCGCM-KHUDPXOFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50040383; PubChem:CID10031152
|
Local ready
Direct docking supported
|