Compile Data Set for Download or QSAR

Found 16 hits of ec50 for UniProtKB: P28700   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Retinoic acid receptor RXR-alpha (Mus musculus)	BDBM50064254 ((2E,4E,6E,8Z)-3,7-Dimethyl-9-(2,6,6-trimethyl-cycl...) 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 GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	27	n/a	n/a	n/a	n/a
University of Alabama at Birmingham Curated by ChEMBL					Assay Description Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR alpha				J Med Chem 41: 1679-87 (1998) Article DOI: 10.1021/jm970635h BindingDB Entry DOI: 10.7270/Q20864F4
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Mus musculus)	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	40	n/a	n/a	n/a	n/a
Universidade de Vigo Curated by ChEMBL					Assay Description Transactivation of Gal4-LBD fused mouse RXRalpha (218 to 467) transfected in african green monkey CV1 cells assessed as luciferase activity at after ...				Eur J Med Chem 44: 2434-46 (2009) Article DOI: 10.1016/j.ejmech.2009.01.011 BindingDB Entry DOI: 10.7270/Q26Q1X99
					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoic acid receptor RXR-alpha (Mus musculus)	BDBM50082042 (CHEMBL139536 | N-(2,2,4,4-Tetramethyl-thiochroman-...) Show SMILES COC(=O)c1ccc(cc1)C(=O)Nc1ccc2SC(C)(C)CC(C)(C)c2c1 Show InChI InChI=1S/C22H25NO3S/c1-21(2)13-22(3,4)27-18-11-10-16(12-17(18)21)23-19(24)14-6-8-15(9-7-14)20(25)26-5/h6-12H,13H2,1-5H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	84	n/a	n/a	n/a	n/a
University of Oklahoma Health Sciences Center Curated by ChEMBL					Assay Description Transcriptional activation of CV-1 cells expressing murine Retinoid X receptor RXR alpha				J Med Chem 42: 4434-45 (1999) BindingDB Entry DOI: 10.7270/Q2891530
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Mus musculus)	BDBM50064253 ((2E,4Z,6Z)-8-[3,4-Dihydro-2H-naphthalen-(1E)-ylide...) Show SMILES C\C(\C=C/C=C(/C)\C=C1/CCCc2ccccc12)=C/C(O)=O Show InChI InChI=1S/C20H22O2/c1-15(7-5-8-16(2)14-20(21)22)13-18-11-6-10-17-9-3-4-12-19(17)18/h3-5,7-9,12-14H,6,10-11H2,1-2H3,(H,21,22)/b8-5-,15-7-,16-14+,18-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	118	n/a	n/a	n/a	n/a
University of Alabama at Birmingham Curated by ChEMBL					Assay Description Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR alpha				J Med Chem 41: 1679-87 (1998) Article DOI: 10.1021/jm970635h BindingDB Entry DOI: 10.7270/Q20864F4
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Mus musculus)	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 GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a
Universidade de Vigo Curated by ChEMBL					Assay Description Transactivation of Gal4-LBD fused mouse RXRalpha (218 to 467) transfected in african green monkey CV1 cells assessed as luciferase activity at after ...				Eur J Med Chem 44: 2434-46 (2009) Article DOI: 10.1016/j.ejmech.2009.01.011 BindingDB Entry DOI: 10.7270/Q26Q1X99
					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoic acid receptor RXR-alpha (Mus musculus)	BDBM50064255 ((2E,4Z,6Z)-8-[3-Ethyl-2-isopropyl-cyclohex-2-en-(E...) Show SMILES CCC1=C(C(C)C)\C(CCC1)=C\C(\C)=C/C=C\C(\C)=C\C(O)=O |c:2| Show InChI InChI=1S/C21H30O2/c1-6-18-11-8-12-19(21(18)15(2)3)13-16(4)9-7-10-17(5)14-20(22)23/h7,9-10,13-15H,6,8,11-12H2,1-5H3,(H,22,23)/b10-7-,16-9-,17-14+,19-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	220	n/a	n/a	n/a	n/a
University of Alabama at Birmingham Curated by ChEMBL					Assay Description Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR alpha				J Med Chem 41: 1679-87 (1998) Article DOI: 10.1021/jm970635h BindingDB Entry DOI: 10.7270/Q20864F4
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Mus musculus)	BDBM50082041 (4-iminomethylphenyl 4,4-dimethyl-6-chromanecarboxy...) Show SMILES CC1(C)CCOc2ccc(cc12)C(=O)Oc1ccc(C=NNC(N)=S)cc1 |w:20.22| Show InChI InChI=1S/C20H21N3O3S/c1-20(2)9-10-25-17-8-5-14(11-16(17)20)18(24)26-15-6-3-13(4-7-15)12-22-23-19(21)27/h3-8,11-12H,9-10H2,1-2H3,(H3,21,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	294	n/a	n/a	n/a	n/a
University of Oklahoma Health Sciences Center Curated by ChEMBL					Assay Description Transcriptional activation of CV-1 cells expressing murine Retinoid X receptor RXR alpha				J Med Chem 42: 4434-45 (1999) BindingDB Entry DOI: 10.7270/Q2891530
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Mus musculus)	BDBM50293410 ((E)-3-[5'-(Adamant-1-yl)-2-chloro-4'-hydroxy-2'-me...) Show SMILES Cc1cc(O)c(cc1-c1ccc(\C=C\C(O)=O)cc1Cl)C12CC3CC(CC(C3)C1)C2 |TLB:29:20:27:23.24.25,THB:29:24:27:21.20.28,28:20:23:27.25.26,28:26:23:21.20.29,5:20:27:23.24.25| Show InChI InChI=1S/C26H27ClO3/c1-15-6-24(28)22(26-12-17-7-18(13-26)9-19(8-17)14-26)11-21(15)20-4-2-16(10-23(20)27)3-5-25(29)30/h2-6,10-11,17-19,28H,7-9,12-14H2,1H3,(H,29,30)/b5-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	576	n/a	n/a	n/a	n/a
Universidade de Vigo Curated by ChEMBL					Assay Description Transactivation of Gal4-LBD fused mouse RXRalpha (218 to 467) transfected in african green monkey CV1 cells assessed as luciferase activity at after ...				Eur J Med Chem 44: 2434-46 (2009) Article DOI: 10.1016/j.ejmech.2009.01.011 BindingDB Entry DOI: 10.7270/Q26Q1X99
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Mus musculus)	BDBM50293413 ((E)-3-[5'-(Adamant-1-yl)-2-chloro-4'-[(2-methoxyet...) Show SMILES COCCOCOc1cc(C)c(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc(\C=C\C(O)=O)cc1Cl |TLB:23:14:21:17.18.19,THB:23:18:21:15.14.22,22:14:17:21.19.20,22:20:17:15.14.23,13:14:21:17.18.19| Show InChI InChI=1S/C30H35ClO5/c1-19-9-28(36-18-35-8-7-34-2)26(30-15-21-10-22(16-30)12-23(11-21)17-30)14-25(19)24-5-3-20(13-27(24)31)4-6-29(32)33/h3-6,9,13-14,21-23H,7-8,10-12,15-18H2,1-2H3,(H,32,33)/b6-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	600	n/a	n/a	n/a	n/a
Universidade de Vigo Curated by ChEMBL					Assay Description Transactivation of Gal4-LBD fused mouse RXRalpha (218 to 467) transfected in african green monkey CV1 cells assessed as luciferase activity at after ...				Eur J Med Chem 44: 2434-46 (2009) Article DOI: 10.1016/j.ejmech.2009.01.011 BindingDB Entry DOI: 10.7270/Q26Q1X99
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Mus musculus)	BDBM50293412 (6-[5-(Adamant-1-yl)-4-[(2-methoxyethoxy)methoxy]-2...) Show SMILES COCCOCOc1cc(C)c(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc2cc(ccc2c1Cl)C(O)=O |TLB:23:14:21:17.18.19,THB:23:18:21:15.14.22,22:14:17:21.19.20,22:20:17:15.14.23,13:14:21:17.18.19| Show InChI InChI=1S/C32H35ClO5/c1-19-9-29(38-18-37-8-7-36-2)28(32-15-20-10-21(16-32)12-22(11-20)17-32)14-27(19)26-6-3-23-13-24(31(34)35)4-5-25(23)30(26)33/h3-6,9,13-14,20-22H,7-8,10-12,15-18H2,1-2H3,(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	667	n/a	n/a	n/a	n/a
Universidade de Vigo Curated by ChEMBL					Assay Description Transactivation of Gal4-LBD fused mouse RXRalpha (218 to 467) transfected in african green monkey CV1 cells assessed as luciferase activity at after ...				Eur J Med Chem 44: 2434-46 (2009) Article DOI: 10.1016/j.ejmech.2009.01.011 BindingDB Entry DOI: 10.7270/Q26Q1X99
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Mus musculus)	BDBM50293411 (2-[5'-(Adamant-1-yl)-2-chloro-4'-[(2-methoxyethoxy...) Show SMILES COCCOCOc1cc(C)c(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc(CC(O)=O)cc1Cl |TLB:23:14:21:17.18.19,THB:23:18:21:15.14.22,22:14:17:21.19.20,22:20:17:15.14.23,13:14:21:17.18.19| Show InChI InChI=1S/C29H35ClO5/c1-18-7-27(35-17-34-6-5-33-2)25(29-14-20-8-21(15-29)10-22(9-20)16-29)13-24(18)23-4-3-19(11-26(23)30)12-28(31)32/h3-4,7,11,13,20-22H,5-6,8-10,12,14-17H2,1-2H3,(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.14E+3	n/a	n/a	n/a	n/a
Universidade de Vigo Curated by ChEMBL					Assay Description Transactivation of Gal4-LBD fused mouse RXRalpha (218 to 467) transfected in african green monkey CV1 cells assessed as luciferase activity at after ...				Eur J Med Chem 44: 2434-46 (2009) Article DOI: 10.1016/j.ejmech.2009.01.011 BindingDB Entry DOI: 10.7270/Q26Q1X99
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Mus musculus)	BDBM50064250 ((2E,4E,6E)-8-[3,4-Dihydro-2H-naphthalen-(1E)-ylide...) Show SMILES C\C(\C=C\C=C(/C)\C=C1/CCCc2ccccc12)=C/C(O)=O Show InChI InChI=1S/C20H22O2/c1-15(7-5-8-16(2)14-20(21)22)13-18-11-6-10-17-9-3-4-12-19(17)18/h3-5,7-9,12-14H,6,10-11H2,1-2H3,(H,21,22)/b8-5+,15-7+,16-14+,18-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a
University of Alabama at Birmingham Curated by ChEMBL					Assay Description Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR alpha				J Med Chem 41: 1679-87 (1998) Article DOI: 10.1021/jm970635h BindingDB Entry DOI: 10.7270/Q20864F4
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Mus musculus)	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 GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a
University of Alabama at Birmingham Curated by ChEMBL					Assay Description Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR alpha				J Med Chem 41: 1679-87 (1998) Article DOI: 10.1021/jm970635h BindingDB Entry DOI: 10.7270/Q20864F4
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Mus musculus)	BDBM50064252 ((2Z,4E,6E)-8-[3-Ethyl-2-isopropyl-cyclohex-2-en-(E...) Show SMILES CCC1=C(C(C)C)\C(CCC1)=C\C(\C)=C\C=C\C(\C)=C/C(O)=O |c:2| Show InChI InChI=1S/C21H30O2/c1-6-18-11-8-12-19(21(18)15(2)3)13-16(4)9-7-10-17(5)14-20(22)23/h7,9-10,13-15H,6,8,11-12H2,1-5H3,(H,22,23)/b10-7+,16-9+,17-14-,19-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a
University of Alabama at Birmingham Curated by ChEMBL					Assay Description Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR alpha				J Med Chem 41: 1679-87 (1998) Article DOI: 10.1021/jm970635h BindingDB Entry DOI: 10.7270/Q20864F4
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Mus musculus)	BDBM50064251 ((2Z,4E,6E)-8-[3,4-Dihydro-2H-naphthalen-(1E)-ylide...) Show SMILES C\C(\C=C\C=C(/C)\C=C1/CCCc2ccccc12)=C\C(O)=O Show InChI InChI=1S/C20H22O2/c1-15(7-5-8-16(2)14-20(21)22)13-18-11-6-10-17-9-3-4-12-19(17)18/h3-5,7-9,12-14H,6,10-11H2,1-2H3,(H,21,22)/b8-5+,15-7+,16-14-,18-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a
University of Alabama at Birmingham Curated by ChEMBL					Assay Description Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR alpha				J Med Chem 41: 1679-87 (1998) Article DOI: 10.1021/jm970635h BindingDB Entry DOI: 10.7270/Q20864F4
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Mus musculus)	BDBM50031460 ((2E,4E,6E)-8-[3-Ethyl-2-isopropyl-cyclohex-2-en-(E...) Show SMILES CCC1=C(C(C)C)\C(CCC1)=C\C(\C)=C\C=C\C(\C)=C\C(O)=O |c:2| Show InChI InChI=1S/C21H30O2/c1-6-18-11-8-12-19(21(18)15(2)3)13-16(4)9-7-10-17(5)14-20(22)23/h7,9-10,13-15H,6,8,11-12H2,1-5H3,(H,22,23)/b10-7+,16-9+,17-14+,19-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a
University of Alabama at Birmingham Curated by ChEMBL					Assay Description Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR alpha				J Med Chem 41: 1679-87 (1998) Article DOI: 10.1021/jm970635h BindingDB Entry DOI: 10.7270/Q20864F4
					More data for this Ligand-Target Pair