Found 11 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 RXR-alpha
(Homo sapiens (Human)) | BDBM50158080
(CHEMBL3779935)Show SMILES CC1(C)CCC(C)(C)c2cc3c(OC4CCCC34c3ccc(cc3)C(O)=O)cc12 Show InChI InChI=1S/C26H30O3/c1-24(2)12-13-25(3,4)19-15-21-20(14-18(19)24)26(11-5-6-22(26)29-21)17-9-7-16(8-10-17)23(27)28/h7-10,14-15,22H,5-6,11-13H2,1-4H3,(H,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 25 | n/a | n/a | n/a | n/a |
University of Gothenburg
Curated by ChEMBL
| Assay Description Agonist activity at histidine-tagged ligand binding domain of human RXRalpha expressed in Escherichia coli BL21 (DE3) by luciferase reporter gene ass... |
J Med Chem 59: 1232-8 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01702 BindingDB Entry DOI: 10.7270/Q2X63PT7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50158083
(CHEMBL3780004)Show SMILES CC1(C)CCC(C)(C)c2cc3c(OC4CCCCC34c3ccc(cc3)C(O)=O)cc12 Show InChI InChI=1S/C27H32O3/c1-25(2)13-14-26(3,4)20-16-22-21(15-19(20)25)27(12-6-5-7-23(27)30-22)18-10-8-17(9-11-18)24(28)29/h8-11,15-16,23H,5-7,12-14H2,1-4H3,(H,28,29) | 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 | n/a | 50 | n/a | n/a | n/a | n/a |
University of Gothenburg
Curated by ChEMBL
| Assay Description Agonist activity at histidine-tagged ligand binding domain of human RXRalpha expressed in Escherichia coli BL21 (DE3) by luciferase reporter gene ass... |
J Med Chem 59: 1232-8 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01702 BindingDB Entry DOI: 10.7270/Q2X63PT7 |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50032675
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 32 | n/a | n/a | n/a | n/a |
University of Gothenburg
Curated by ChEMBL
| Assay Description Agonist activity at Renilla luciferase/GFP2-tagged RXRalpha homodimer (unknown origin) expressed in HEK293T cells by BRET2 assay |
J Med Chem 59: 1232-8 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01702 BindingDB Entry DOI: 10.7270/Q2X63PT7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50032675
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 32 | n/a | n/a | n/a | n/a |
University of Gothenburg
Curated by ChEMBL
| Assay Description Agonist activity at histidine-tagged ligand binding domain of human RXRalpha expressed in Escherichia coli BL21 (DE3) by luciferase reporter gene ass... |
J Med Chem 59: 1232-8 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01702 BindingDB Entry DOI: 10.7270/Q2X63PT7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50157943
(CHEMBL3780763)Show SMILES [H][C@@]12CCCC[C@@]1(c1cc3c(cc1O2)C(C)(C)CCC3(C)C)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C27H32O3/c1-25(2)13-14-26(3,4)20-16-22-21(15-19(20)25)27(12-6-5-7-23(27)30-22)18-10-8-17(9-11-18)24(28)29/h8-11,15-16,23H,5-7,12-14H2,1-4H3,(H,28,29)/t23-,27+/m1/s1 | 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 | n/a | 20 | n/a | n/a | n/a | n/a |
University of Gothenburg
Curated by ChEMBL
| Assay Description Agonist activity at Renilla luciferase/GFP2-tagged RXRalpha homodimer (unknown origin) expressed in HEK293T cells by BRET2 assay |
J Med Chem 59: 1232-8 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01702 BindingDB Entry DOI: 10.7270/Q2X63PT7 |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50157943
(CHEMBL3780763)Show SMILES [H][C@@]12CCCC[C@@]1(c1cc3c(cc1O2)C(C)(C)CCC3(C)C)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C27H32O3/c1-25(2)13-14-26(3,4)20-16-22-21(15-19(20)25)27(12-6-5-7-23(27)30-22)18-10-8-17(9-11-18)24(28)29/h8-11,15-16,23H,5-7,12-14H2,1-4H3,(H,28,29)/t23-,27+/m1/s1 | 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 | n/a | 20 | n/a | n/a | n/a | n/a |
University of Gothenburg
Curated by ChEMBL
| Assay Description Agonist activity at histidine-tagged ligand binding domain of human RXRalpha expressed in Escherichia coli BL21 (DE3) by luciferase reporter gene ass... |
J Med Chem 59: 1232-8 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01702 BindingDB Entry DOI: 10.7270/Q2X63PT7 |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50157942
(CHEMBL3781132)Show SMILES [H][C@@]12CCC[C@@]1(c1cc3c(cc1O2)C(C)(C)CCC3(C)C)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C26H30O3/c1-24(2)12-13-25(3,4)19-15-21-20(14-18(19)24)26(11-5-6-22(26)29-21)17-9-7-16(8-10-17)23(27)28/h7-10,14-15,22H,5-6,11-13H2,1-4H3,(H,27,28)/t22-,26+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 6.31 | n/a | n/a | n/a | n/a |
University of Gothenburg
Curated by ChEMBL
| Assay Description Agonist activity at Renilla luciferase/GFP2-tagged RXRalpha homodimer (unknown origin) expressed in HEK293T cells by BRET2 assay |
J Med Chem 59: 1232-8 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01702 BindingDB Entry DOI: 10.7270/Q2X63PT7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50157942
(CHEMBL3781132)Show SMILES [H][C@@]12CCC[C@@]1(c1cc3c(cc1O2)C(C)(C)CCC3(C)C)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C26H30O3/c1-24(2)12-13-25(3,4)19-15-21-20(14-18(19)24)26(11-5-6-22(26)29-21)17-9-7-16(8-10-17)23(27)28/h7-10,14-15,22H,5-6,11-13H2,1-4H3,(H,27,28)/t22-,26+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 6.30 | n/a | n/a | n/a | n/a |
University of Gothenburg
Curated by ChEMBL
| Assay Description Agonist activity at histidine-tagged ligand binding domain of human RXRalpha expressed in Escherichia coli BL21 (DE3) by luciferase reporter gene ass... |
J Med Chem 59: 1232-8 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01702 BindingDB Entry DOI: 10.7270/Q2X63PT7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50158082
(CHEMBL3781998)Show SMILES CC1(C)CCC(C)(C)c2cc3c(OC4CCCCC34c3ccc(C(O)=O)c(F)c3)cc12 Show InChI InChI=1S/C27H31FO3/c1-25(2)11-12-26(3,4)19-15-22-20(14-18(19)25)27(10-6-5-7-23(27)31-22)16-8-9-17(24(29)30)21(28)13-16/h8-9,13-15,23H,5-7,10-12H2,1-4H3,(H,29,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 50 | n/a | n/a | n/a | n/a |
University of Gothenburg
Curated by ChEMBL
| Assay Description Agonist activity at histidine-tagged ligand binding domain of human RXRalpha expressed in Escherichia coli BL21 (DE3) by luciferase reporter gene ass... |
J Med Chem 59: 1232-8 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01702 BindingDB Entry DOI: 10.7270/Q2X63PT7 |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50158079
(CHEMBL3781771)Show SMILES [H][C@]12CCCCC[C@]1(c1cc3c(cc1O2)C(C)(C)CCC3(C)C)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C28H34O3/c1-26(2)14-15-27(3,4)21-17-23-22(16-20(21)26)28(13-7-5-6-8-24(28)31-23)19-11-9-18(10-12-19)25(29)30/h9-12,16-17,24H,5-8,13-15H2,1-4H3,(H,29,30)/t24-,28+/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 | n/a | 126 | n/a | n/a | n/a | n/a |
University of Gothenburg
Curated by ChEMBL
| Assay Description Agonist activity at histidine-tagged ligand binding domain of human RXRalpha expressed in Escherichia coli BL21 (DE3) by luciferase reporter gene ass... |
J Med Chem 59: 1232-8 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01702 BindingDB Entry DOI: 10.7270/Q2X63PT7 |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50157944
(CHEMBL3780806)Show SMILES [H][C@]12CCC[C@]1(c1cc3c(cc1O2)C(C)(C)CCC3(C)C)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C26H30O3/c1-24(2)12-13-25(3,4)19-15-21-20(14-18(19)24)26(11-5-6-22(26)29-21)17-9-7-16(8-10-17)23(27)28/h7-10,14-15,22H,5-6,11-13H2,1-4H3,(H,27,28)/t22-,26+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a |
University of Gothenburg
Curated by ChEMBL
| Assay Description Agonist activity at Renilla luciferase/GFP2-tagged RXRalpha homodimer (unknown origin) expressed in HEK293T cells by BRET2 assay |
J Med Chem 59: 1232-8 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01702 BindingDB Entry DOI: 10.7270/Q2X63PT7 |
More data for this Ligand-Target Pair | |