| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L058101
BDB058101
|
BDBM50503118
CCCc1nc2ccccc2n1Cc1ccc2c(c1)COc1ccc(F)cc1/C2=C(\C)c1noc(=O)[nH]1
|
C29H25FN4O3 496.542000 |
UCPPHTQISPRTFW-WPWMEQJKSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50503118; PubChem:CID136397795
|
Local ready
Direct docking supported
|
|
E3L058102
BDB058102
|
BDBM50503119
CCCc1nc2ccccc2n1Cc1ccc2c(c1)COc1c(F)cccc1/C2=C(\C)c1noc(=O)[nH]1
|
C29H25FN4O3 496.542000 |
BDFGSBMZSWGCQA-YZSQISJMSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50503119; PubChem:CID155541511
|
Local ready
Direct docking supported
|
|
E3L058103
BDB058103
|
BDBM50503120
C/C(=C1/c2ccc(Cn3c(C4CC4)nc4cscc43)cc2COc2cc(F)ccc21)c1noc(=O)[nH]1
|
C27H21FN4O3S 500.555000 |
ZEOQBVHXTQSRRD-ZVHZXABRSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50503120; PubChem:CID136491139
|
Local ready
Direct docking supported
|
|
E3L058104
BDB058104
|
BDBM50503121
C/C(=C1/c2ccc(Cc3c(C4CC4)nc4cc(Cl)ccn34)cc2COc2cc(F)ccc21)c1noc(=O)[nH]1
|
C29H22ClFN4O3 528.971000 |
WCVHNSAVEPWGCQ-CVKSISIWSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50503121; PubChem:CID136591583
|
Local ready
Direct docking supported
|
|
E3L058105
BDB058105
|
BDBM50503122
C/C(=C1/c2ccc(Cc3c(C4CC4)nc4cc(F)ccn34)cc2COc2cc(F)ccc21)c1noc(=O)[nH]1
|
C29H22F2N4O3 512.516000 |
QYYKQKYNIQLGNT-CVKSISIWSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50503122; PubChem:CID136491135
|
Local ready
Direct docking supported
|
|
E3L058106
BDB058106
|
BDBM50503123
COCc1nc2cc(Cl)ccn2c1Cc1ccc2c(c1)COc1cc(F)ccc1/C2=C(\C)c1noc(=O)[nH]1
|
C28H22ClFN4O4 532.959000 |
QZNUPRHBNYAKDD-CVKSISIWSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50503123; PubChem:CID136591522
|
Local ready
Direct docking supported
|
|
E3L058107
BDB058107
|
BDBM50503124
COCc1nc2c(Cl)cccn2c1Cc1ccc2c(c1)COc1cc(F)ccc1/C2=C(\C)c1noc(=O)[nH]1
|
C28H22ClFN4O4 532.959000 |
ZIUZEZVWWPZBBQ-MFKUBSTISA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50503124; PubChem:CID136591535
|
Local ready
Direct docking supported
|
|
E3L058108
BDB058108
|
BDBM50503125
C/C(=C1/c2ccc(Cn3c(C4CC4)nc4c(Cl)ccnc43)cc2COc2cc(F)ccc21)c1noc(=O)[nH]1
|
C28H21ClFN5O3 529.959000 |
KRIVHCKOIYXTAP-OEAKJJBVSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50503125; PubChem:CID136591510
|
Local ready
Direct docking supported
|
|
E3L058109
BDB058109
|
BDBM50503126
C/C(=C1/c2ccc(Cc3c(C4CC4)nc4ccccn34)cc2COc2cc(F)ccc21)c1noc(=O)[nH]1
|
C29H23FN4O3 494.526000 |
LFRNEGDVYOWLIP-WGOQTCKBSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50503126; PubChem:CID136491120
|
Local ready
Direct docking supported
|
|
E3L058110
BDB058110
|
BDBM50503127
CCCc1nc2c(C)cccc2n1Cc1ccc2c(n1)COc1ccccc1/C2=C(\C)c1noc(=O)[nH]1
|
C29H27N5O3 493.567000 |
LLEDACKAJBGRSV-NLRVBDNBSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50503127; PubChem:CID155565164
|
Local ready
Direct docking supported
|
|
E3L058111
BDB058111
|
BDBM50503128
C/C(=C1/c2ccc(Cc3c(C4CC4)nc4c(Cl)cccn34)cc2COc2cc(F)ccc21)c1noc(=O)[nH]1
|
C29H22ClFN4O3 528.971000 |
YMJQPWIALYBIJM-MFKUBSTISA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50503128
|
Local ready
Direct docking supported
|
|
E3L058112
BDB058112
|
BDBM50503129
CCCc1nc2ccccc2n1Cc1ccc2c(c1)COc1cc(F)ccc1/C2=C(\C)c1noc(=O)[nH]1
|
C29H25FN4O3 496.542000 |
PBUIWUMZZZXLAE-WPWMEQJKSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50503129; PubChem:CID136591486
|
Local ready
Direct docking supported
|
|
E3L058113
BDB058113
|
BDBM50503130
CCCc1nc2c(C)cccc2n1Cc1ccc2c(c1)OCc1ncccc1/C2=C(\C)c1noc(=O)[nH]1
|
C29H27N5O3 493.567000 |
YXINNNPWFIUDMC-ITYLOYPMSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50503130; PubChem:CID155523890
|
Local ready
Direct docking supported
|
|
E3L058114
BDB058114
|
3Hoi-BA-01
O=C(/C=C/c1ccc2c(c1)OCO2)CC1(O)C(=O)Nc2ccccc21
|
C19H15NO5 337.331000 |
AJJYRWYJJMMKIT-FNORWQNLSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50503131; PubChem:CID5902454
|
Local ready
Direct docking supported
|
|
E3L058115
BDB058115
|
BDBM50503139
CC(C)n1nc(-c2cccc(C(=O)NC3=NCCS3)c2)c2c(N)ncnc21
|
C18H19N7OS 381.465000 |
WGYPOAXANMFHMT-UHFFFAOYSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50503139; PubChem:CID24905154
|
Local ready
Direct docking supported
|
|
E3L058116
BDB058116
|
Upadacitinib
CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c1cnc2cnc3[nH]ccc3n12
|
C17H19F3N6O 380.374000 |
WYQFJHHDOKWSHR-MNOVXSKESA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50503287; PubChem:CID58557659
|
Local ready
Direct docking supported
|
|
E3L058117
BDB058117
|
Sdccgsbi-0654469.P001
CCCCOc1c(C(=O)c2c(F)cc(C)cc2F)c[nH]c2nncc1-2
|
C18H17F2N3O2 345.349000 |
SCFMWQIQBVZOQR-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50503350; PubChem:CID5329775
|
Local ready
Direct docking supported
|
|
E3L058118
BDB058118
|
4-((6-Amino-4-Pyrimidinyl)Amino)Benzenesulfonamide
Nc1cc(Nc2ccc(S(N)(=O)=O)cc2)ncn1
|
C10H11N5O2S 265.298000 |
FVFVVRPJERUECT-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50503351; PubChem:CID2608
|
Local ready
Direct docking supported
|
|
E3L058119
BDB058119
|
BDBM50503352
CCNc1cc(N[C@H]2CC[C@H](O)CC2)nc(Nc2ccc3c(ccn3Cc3ccccc3)c2)n1
|
C27H32N6O 456.594000 |
YVXCDLCJCIDFHE-AFARHQOCSA-N | P51948 | Cyclin-H |
BindingDB
BindingDB:BDBM50503352
|
Local ready
Direct docking supported
|
|
E3L058120
BDB058120
|
SU 9516
COc1ccc2c(c1)/C(=C/c1cnc[nH]1)C(=O)N2
|
C13H11N3O2 241.250000 |
QNUKRWAIZMBVCU-WCIBSUBMSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50503353; PubChem:CID5289419
|
Local ready
Direct docking supported
|