Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50016852 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50101446
((2E,4E)-3-Methyl-5-[(1R,2R)-2-methyl-2-(5,5,8,8-te...)Show SMILES C\C(\C=C\[C@H]1C[C@@]1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O Show InChI InChI=1S/C24H32O2/c1-16(13-21(25)26)7-8-18-15-24(18,6)17-9-10-19-20(14-17)23(4,5)12-11-22(19,2)3/h7-10,13-14,18H,11-12,15H2,1-6H3,(H,25,26)/b8-7+,16-13+/t18-,24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Dissociation constant for Retinoid X receptor alpha |
J Med Chem 48: 6212-9 (2005)
Article DOI: 10.1021/jm050285w
BindingDB Entry DOI: 10.7270/Q26D5SJ6 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor gamma
(Homo sapiens (Human)) | BDBM50032219
((E)-4-(2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydrona...)Show SMILES C\C(=C/c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C Show InChI InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Dissociation constant for Retinoic acid receptor gamma |
J Med Chem 48: 6212-9 (2005)
Article DOI: 10.1021/jm050285w
BindingDB Entry DOI: 10.7270/Q26D5SJ6 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Retinoic acid receptor gamma
(Homo sapiens (Human)) | BDBM31892
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Dissociation constant for Retinoic acid receptor gamma |
J Med Chem 48: 6212-9 (2005)
Article DOI: 10.1021/jm050285w
BindingDB Entry DOI: 10.7270/Q26D5SJ6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Retinoic acid receptor gamma
(Homo sapiens (Human)) | BDBM31883
(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| MMDB
Article
PubMed
| n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Dissociation constant for Retinoic acid receptor gamma |
J Med Chem 48: 6212-9 (2005)
Article DOI: 10.1021/jm050285w
BindingDB Entry DOI: 10.7270/Q26D5SJ6 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor gamma
(Homo sapiens (Human)) | BDBM50101446
((2E,4E)-3-Methyl-5-[(1R,2R)-2-methyl-2-(5,5,8,8-te...)Show SMILES C\C(\C=C\[C@H]1C[C@@]1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O Show InChI InChI=1S/C24H32O2/c1-16(13-21(25)26)7-8-18-15-24(18,6)17-9-10-19-20(14-17)23(4,5)12-11-22(19,2)3/h7-10,13-14,18H,11-12,15H2,1-6H3,(H,25,26)/b8-7+,16-13+/t18-,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Dissociation constant for Retinoic acid receptor gamma |
J Med Chem 48: 6212-9 (2005)
Article DOI: 10.1021/jm050285w
BindingDB Entry DOI: 10.7270/Q26D5SJ6 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor gamma
(Homo sapiens (Human)) | BDBM50032221
(4-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...)Show SMILES C\C(=C/c1ccc(cc1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C Show InChI InChI=1S/C25H30O2/c1-16(13-18-7-9-19(10-8-18)23(26)27)20-15-22-21(14-17(20)2)24(3,4)11-12-25(22,5)6/h7-10,13-15H,11-12H2,1-6H3,(H,26,27)/b16-13+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 645 | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Dissociation constant for Retinoic acid receptor gamma |
J Med Chem 48: 6212-9 (2005)
Article DOI: 10.1021/jm050285w
BindingDB Entry DOI: 10.7270/Q26D5SJ6 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50101445
((2E,4E)-3-Methyl-5-[(1S,2S)-2-methyl-2-(5,5,8,8-te...)Show SMILES C\C(\C=C\[C@@H]1C[C@]1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O Show InChI InChI=1S/C24H32O2/c1-16(13-21(25)26)7-8-18-15-24(18,6)17-9-10-19-20(14-17)23(4,5)12-11-22(19,2)3/h7-10,13-14,18H,11-12,15H2,1-6H3,(H,25,26)/b8-7+,16-13+/t18-,24-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Dissociation constant for Retinoid X receptor alpha |
J Med Chem 48: 6212-9 (2005)
Article DOI: 10.1021/jm050285w
BindingDB Entry DOI: 10.7270/Q26D5SJ6 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM31892
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Dissociation constant for Retinoid X receptor alpha |
J Med Chem 48: 6212-9 (2005)
Article DOI: 10.1021/jm050285w
BindingDB Entry DOI: 10.7270/Q26D5SJ6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Retinoic acid receptor gamma
(Homo sapiens (Human)) | BDBM50101445
((2E,4E)-3-Methyl-5-[(1S,2S)-2-methyl-2-(5,5,8,8-te...)Show SMILES C\C(\C=C\[C@@H]1C[C@]1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O Show InChI InChI=1S/C24H32O2/c1-16(13-21(25)26)7-8-18-15-24(18,6)17-9-10-19-20(14-17)23(4,5)12-11-22(19,2)3/h7-10,13-14,18H,11-12,15H2,1-6H3,(H,25,26)/b8-7+,16-13+/t18-,24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Dissociation constant for Retinoic acid receptor gamma |
J Med Chem 48: 6212-9 (2005)
Article DOI: 10.1021/jm050285w
BindingDB Entry DOI: 10.7270/Q26D5SJ6 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50032221
(4-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...)Show SMILES C\C(=C/c1ccc(cc1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C Show InChI InChI=1S/C25H30O2/c1-16(13-18-7-9-19(10-8-18)23(26)27)20-15-22-21(14-17(20)2)24(3,4)11-12-25(22,5)6/h7-10,13-15H,11-12H2,1-6H3,(H,26,27)/b16-13+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Dissociation constant for Retinoid X receptor alpha |
J Med Chem 48: 6212-9 (2005)
Article DOI: 10.1021/jm050285w
BindingDB Entry DOI: 10.7270/Q26D5SJ6 |
More data for this
Ligand-Target Pair | |
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