Found 24 hits of Enzyme Inhibition Constant Data 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 beta
(Homo sapiens (Human)) | BDBM50075366
((2E,4E)-3-Methyl-5-{2-[(E)-2-(2,6,6-trimethyl-cycl...)Show SMILES C\C(\C=C\c1ccccc1\C=C\C1=C(C)CCCC1(C)C)=C/C(O)=O |c:13| Show InChI InChI=1S/C23H28O2/c1-17(16-22(24)25)11-12-19-9-5-6-10-20(19)13-14-21-18(2)8-7-15-23(21,3)4/h5-6,9-14,16H,7-8,15H2,1-4H3,(H,24,25)/b12-11+,14-13+,17-16+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | n/a | >0.00100 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-RA binding to retinoic acid receptor RAR beta |
Bioorg Med Chem Lett 9: 589-94 (1999)
BindingDB Entry DOI: 10.7270/Q2J38RQ5 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50075367
((2E,4E)-3-Methyl-5-{2-[(E)-2-(2,6,6-trimethyl-cycl...)Show SMILES C\C(\C=C\c1ccoc1\C=C\C1=C(C)CCCC1(C)C)=C/C(O)=O |c:12| Show InChI InChI=1S/C21H26O3/c1-15(14-20(22)23)7-8-17-11-13-24-19(17)10-9-18-16(2)6-5-12-21(18,3)4/h7-11,13-14H,5-6,12H2,1-4H3,(H,22,23)/b8-7+,10-9+,15-14+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-9-cis RA binding to Retinoid X receptor RXR gamma |
Bioorg Med Chem Lett 9: 589-94 (1999)
BindingDB Entry DOI: 10.7270/Q2J38RQ5 |
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
PubMed
| n/a | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-9-cis RA binding to Retinoid X receptor RXR gamma |
Bioorg Med Chem Lett 9: 589-94 (1999)
BindingDB Entry DOI: 10.7270/Q2J38RQ5 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50075366
((2E,4E)-3-Methyl-5-{2-[(E)-2-(2,6,6-trimethyl-cycl...)Show SMILES C\C(\C=C\c1ccccc1\C=C\C1=C(C)CCCC1(C)C)=C/C(O)=O |c:13| Show InChI InChI=1S/C23H28O2/c1-17(16-22(24)25)11-12-19-9-5-6-10-20(19)13-14-21-18(2)8-7-15-23(21,3)4/h5-6,9-14,16H,7-8,15H2,1-4H3,(H,24,25)/b12-11+,14-13+,17-16+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-9-cis RA binding to Retinoid X receptor RXR gamma |
Bioorg Med Chem Lett 9: 589-94 (1999)
BindingDB Entry DOI: 10.7270/Q2J38RQ5 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor alpha
(Homo sapiens (Human)) | BDBM50075366
((2E,4E)-3-Methyl-5-{2-[(E)-2-(2,6,6-trimethyl-cycl...)Show SMILES C\C(\C=C\c1ccccc1\C=C\C1=C(C)CCCC1(C)C)=C/C(O)=O |c:13| Show InChI InChI=1S/C23H28O2/c1-17(16-22(24)25)11-12-19-9-5-6-10-20(19)13-14-21-18(2)8-7-15-23(21,3)4/h5-6,9-14,16H,7-8,15H2,1-4H3,(H,24,25)/b12-11+,14-13+,17-16+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | n/a | >0.00100 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-RA binding to retinoic acid receptor RAR alpha |
Bioorg Med Chem Lett 9: 589-94 (1999)
BindingDB Entry DOI: 10.7270/Q2J38RQ5 |
More data for this
Ligand-Target Pair | |
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
PubMed
| n/a | n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-RA binding to retinoic acid receptor RAR gamma |
Bioorg Med Chem Lett 9: 589-94 (1999)
BindingDB Entry DOI: 10.7270/Q2J38RQ5 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor beta
(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
PubMed
| n/a | n/a | n/a | 97 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-RA binding to retinoic acid receptor RAR beta |
Bioorg Med Chem Lett 9: 589-94 (1999)
BindingDB Entry DOI: 10.7270/Q2J38RQ5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Retinoic acid receptor RXR-beta
(Homo sapiens (Human)) | BDBM50075367
((2E,4E)-3-Methyl-5-{2-[(E)-2-(2,6,6-trimethyl-cycl...)Show SMILES C\C(\C=C\c1ccoc1\C=C\C1=C(C)CCCC1(C)C)=C/C(O)=O |c:12| Show InChI InChI=1S/C21H26O3/c1-15(14-20(22)23)7-8-17-11-13-24-19(17)10-9-18-16(2)6-5-12-21(18,3)4/h7-11,13-14H,5-6,12H2,1-4H3,(H,22,23)/b8-7+,10-9+,15-14+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-9-cis RA binding to Retinoid X receptor RXR beta |
Bioorg Med Chem Lett 9: 589-94 (1999)
BindingDB Entry DOI: 10.7270/Q2J38RQ5 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor alpha
(Homo sapiens (Human)) | BDBM50075367
((2E,4E)-3-Methyl-5-{2-[(E)-2-(2,6,6-trimethyl-cycl...)Show SMILES C\C(\C=C\c1ccoc1\C=C\C1=C(C)CCCC1(C)C)=C/C(O)=O |c:12| Show InChI InChI=1S/C21H26O3/c1-15(14-20(22)23)7-8-17-11-13-24-19(17)10-9-18-16(2)6-5-12-21(18,3)4/h7-11,13-14H,5-6,12H2,1-4H3,(H,22,23)/b8-7+,10-9+,15-14+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | n/a | >0.00100 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-RA binding to retinoic acid receptor RAR alpha |
Bioorg Med Chem Lett 9: 589-94 (1999)
BindingDB Entry DOI: 10.7270/Q2J38RQ5 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-gamma
(Homo sapiens (Human)) | BDBM50075366
((2E,4E)-3-Methyl-5-{2-[(E)-2-(2,6,6-trimethyl-cycl...)Show SMILES C\C(\C=C\c1ccccc1\C=C\C1=C(C)CCCC1(C)C)=C/C(O)=O |c:13| Show InChI InChI=1S/C23H28O2/c1-17(16-22(24)25)11-12-19-9-5-6-10-20(19)13-14-21-18(2)8-7-15-23(21,3)4/h5-6,9-14,16H,7-8,15H2,1-4H3,(H,24,25)/b12-11+,14-13+,17-16+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-9-cis RA binding to Retinoid X receptor RXR gamma |
Bioorg Med Chem Lett 9: 589-94 (1999)
BindingDB Entry DOI: 10.7270/Q2J38RQ5 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-beta
(Homo sapiens (Human)) | BDBM50075366
((2E,4E)-3-Methyl-5-{2-[(E)-2-(2,6,6-trimethyl-cycl...)Show SMILES C\C(\C=C\c1ccccc1\C=C\C1=C(C)CCCC1(C)C)=C/C(O)=O |c:13| Show InChI InChI=1S/C23H28O2/c1-17(16-22(24)25)11-12-19-9-5-6-10-20(19)13-14-21-18(2)8-7-15-23(21,3)4/h5-6,9-14,16H,7-8,15H2,1-4H3,(H,24,25)/b12-11+,14-13+,17-16+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-9-cis RA binding to Retinoid X receptor RXR beta |
Bioorg Med Chem Lett 9: 589-94 (1999)
BindingDB Entry DOI: 10.7270/Q2J38RQ5 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor alpha
(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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-RA binding to retinoic acid receptor RAR alpha |
Bioorg Med Chem Lett 9: 589-94 (1999)
BindingDB Entry DOI: 10.7270/Q2J38RQ5 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-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
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
PubMed
| n/a | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-9-cis RA binding to Retinoid X receptor RXR gamma |
Bioorg Med Chem Lett 9: 589-94 (1999)
BindingDB Entry DOI: 10.7270/Q2J38RQ5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | >0.00100 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-9-cis RA binding to Retinoid X receptor RXR gamma |
Bioorg Med Chem Lett 9: 589-94 (1999)
BindingDB Entry DOI: 10.7270/Q2J38RQ5 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor beta
(Homo sapiens (Human)) | BDBM50075367
((2E,4E)-3-Methyl-5-{2-[(E)-2-(2,6,6-trimethyl-cycl...)Show SMILES C\C(\C=C\c1ccoc1\C=C\C1=C(C)CCCC1(C)C)=C/C(O)=O |c:12| Show InChI InChI=1S/C21H26O3/c1-15(14-20(22)23)7-8-17-11-13-24-19(17)10-9-18-16(2)6-5-12-21(18,3)4/h7-11,13-14H,5-6,12H2,1-4H3,(H,22,23)/b8-7+,10-9+,15-14+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | n/a | >0.00100 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-RA binding to retinoic acid receptor RAR beta |
Bioorg Med Chem Lett 9: 589-94 (1999)
BindingDB Entry DOI: 10.7270/Q2J38RQ5 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-beta
(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
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | >0.00100 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-9-cis RA binding to Retinoid X receptor RXR beta |
Bioorg Med Chem Lett 9: 589-94 (1999)
BindingDB Entry DOI: 10.7270/Q2J38RQ5 |
More data for this
Ligand-Target Pair | |
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
PubMed
| n/a | n/a | n/a | 148 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-RA binding to retinoic acid receptor RAR gamma |
Bioorg Med Chem Lett 9: 589-94 (1999)
BindingDB Entry DOI: 10.7270/Q2J38RQ5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Retinoic acid receptor beta
(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
PubMed
| n/a | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-RA binding to retinoic acid receptor RAR beta |
Bioorg Med Chem Lett 9: 589-94 (1999)
BindingDB Entry DOI: 10.7270/Q2J38RQ5 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor 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
PDB
PubMed
| n/a | n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-RA binding to retinoic acid receptor RAR alpha |
Bioorg Med Chem Lett 9: 589-94 (1999)
BindingDB Entry DOI: 10.7270/Q2J38RQ5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Retinoic acid receptor RXR-gamma
(Homo sapiens (Human)) | BDBM50075367
((2E,4E)-3-Methyl-5-{2-[(E)-2-(2,6,6-trimethyl-cycl...)Show SMILES C\C(\C=C\c1ccoc1\C=C\C1=C(C)CCCC1(C)C)=C/C(O)=O |c:12| Show InChI InChI=1S/C21H26O3/c1-15(14-20(22)23)7-8-17-11-13-24-19(17)10-9-18-16(2)6-5-12-21(18,3)4/h7-11,13-14H,5-6,12H2,1-4H3,(H,22,23)/b8-7+,10-9+,15-14+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-9-cis RA binding to Retinoid X receptor RXR gamma |
Bioorg Med Chem Lett 9: 589-94 (1999)
BindingDB Entry DOI: 10.7270/Q2J38RQ5 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor gamma
(Homo sapiens (Human)) | BDBM50075366
((2E,4E)-3-Methyl-5-{2-[(E)-2-(2,6,6-trimethyl-cycl...)Show SMILES C\C(\C=C\c1ccccc1\C=C\C1=C(C)CCCC1(C)C)=C/C(O)=O |c:13| Show InChI InChI=1S/C23H28O2/c1-17(16-22(24)25)11-12-19-9-5-6-10-20(19)13-14-21-18(2)8-7-15-23(21,3)4/h5-6,9-14,16H,7-8,15H2,1-4H3,(H,24,25)/b12-11+,14-13+,17-16+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | n/a | >0.00100 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-RA binding to retinoic acid receptor RAR gamma |
Bioorg Med Chem Lett 9: 589-94 (1999)
BindingDB Entry DOI: 10.7270/Q2J38RQ5 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor gamma
(Homo sapiens (Human)) | BDBM50075367
((2E,4E)-3-Methyl-5-{2-[(E)-2-(2,6,6-trimethyl-cycl...)Show SMILES C\C(\C=C\c1ccoc1\C=C\C1=C(C)CCCC1(C)C)=C/C(O)=O |c:12| Show InChI InChI=1S/C21H26O3/c1-15(14-20(22)23)7-8-17-11-13-24-19(17)10-9-18-16(2)6-5-12-21(18,3)4/h7-11,13-14H,5-6,12H2,1-4H3,(H,22,23)/b8-7+,10-9+,15-14+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | n/a | >0.00100 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-RA binding to retinoic acid receptor RAR gamma |
Bioorg Med Chem Lett 9: 589-94 (1999)
BindingDB Entry DOI: 10.7270/Q2J38RQ5 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-beta
(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
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
PubMed
| n/a | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-9-cis RA binding to Retinoid X receptor RXR beta |
Bioorg Med Chem Lett 9: 589-94 (1999)
BindingDB Entry DOI: 10.7270/Q2J38RQ5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Retinoic acid receptor RXR-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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | >0.00100 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-9-cis RA binding to Retinoid X receptor RXR gamma |
Bioorg Med Chem Lett 9: 589-94 (1999)
BindingDB Entry DOI: 10.7270/Q2J38RQ5 |
More data for this
Ligand-Target Pair | |
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