Compile Data Set for Download or QSAR

Found 13 hits with Last Name = 'robinson' and Initial = 'nm'   

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/RXR-beta/RXR-gamma (Homo sapiens (Human))	BDBM50533804 (CHEMBL4574155) Show SMILES CCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ncc(cn1)C(O)=O Show InChI InChI=1S/C21H27N3O2/c1-6-24(19-22-12-14(13-23-19)18(25)26)15-7-8-16-17(11-15)21(4,5)10-9-20(16,2)3/h7-8,11-13H,6,9-10H2,1-5H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	41	n/a	n/a	n/a	n/a
Arizona State University Curated by ChEMBL					Assay Description Agonist activity at human RXR binding domain and activation domain expressed in human HCT116 cells assessed as rexinoid activity incubated for 24 hrs...				J Med Chem 59: 8924-8940 (2016) Article DOI: 10.1021/acs.jmedchem.6b00812 BindingDB Entry DOI: 10.7270/Q26M3B90
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha/RXR-beta/RXR-gamma (Homo sapiens (Human))	BDBM50533805 (CHEMBL4441103) Show SMILES Cc1cc2c(cc1C(=O)c1ccc(cc1)S(O)(=O)=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C22H26O4S/c1-14-12-18-19(22(4,5)11-10-21(18,2)3)13-17(14)20(23)15-6-8-16(9-7-15)27(24,25)26/h6-9,12-13H,10-11H2,1-5H3,(H,24,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a
Arizona State University Curated by ChEMBL					Assay Description Agonist activity at human RXR binding domain and activation domain expressed in human HCT116 cells assessed as rexinoid activity incubated for 24 hrs...				J Med Chem 59: 8924-8940 (2016) Article DOI: 10.1021/acs.jmedchem.6b00812 BindingDB Entry DOI: 10.7270/Q26M3B90
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha/RXR-beta/RXR-gamma (Homo sapiens (Human))	BDBM50533806 (CHEMBL4476114) Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)S(O)(=O)=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C23H28O3S/c1-15-13-20-21(23(5,6)12-11-22(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)27(24,25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,24,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.82E+4	n/a	n/a	n/a	n/a
Arizona State University Curated by ChEMBL					Assay Description Agonist activity at human RXR binding domain and activation domain expressed in human HCT116 cells assessed as rexinoid activity incubated for 24 hrs...				J Med Chem 59: 8924-8940 (2016) Article DOI: 10.1021/acs.jmedchem.6b00812 BindingDB Entry DOI: 10.7270/Q26M3B90
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha/RXR-beta/RXR-gamma (Homo sapiens (Human))	BDBM50533807 (CHEMBL4440825) Show SMILES CCN(c1cnc(cn1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C Show InChI InChI=1S/C22H29N3O2/c1-7-25(19-13-23-17(12-24-19)20(26)27)18-11-16-15(10-14(18)2)21(3,4)8-9-22(16,5)6/h10-13H,7-9H2,1-6H3,(H,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	296	n/a	n/a	n/a	n/a
Arizona State University Curated by ChEMBL					Assay Description Agonist activity at human RXR binding domain and activation domain expressed in human HCT116 cells assessed as rexinoid activity incubated for 24 hrs...				J Med Chem 59: 8924-8940 (2016) Article DOI: 10.1021/acs.jmedchem.6b00812 BindingDB Entry DOI: 10.7270/Q26M3B90
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha/RXR-beta/RXR-gamma (Homo sapiens (Human))	BDBM50533808 (CHEMBL4468317) Show SMILES CCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1cnc(cn1)C(O)=O Show InChI InChI=1S/C21H27N3O2/c1-6-24(18-13-22-17(12-23-18)19(25)26)14-7-8-15-16(11-14)21(4,5)10-9-20(15,2)3/h7-8,11-13H,6,9-10H2,1-5H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	364	n/a	n/a	n/a	n/a
Arizona State University Curated by ChEMBL					Assay Description Agonist activity at human RXR binding domain and activation domain expressed in human HCT116 cells assessed as rexinoid activity incubated for 24 hrs...				J Med Chem 59: 8924-8940 (2016) Article DOI: 10.1021/acs.jmedchem.6b00812 BindingDB Entry DOI: 10.7270/Q26M3B90
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha/RXR-beta/RXR-gamma (Homo sapiens (Human))	BDBM50533809 (CHEMBL4547228) Show SMILES CCN(c1ccc(cc1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C Show InChI InChI=1S/C24H31NO2/c1-7-25(18-10-8-17(9-11-18)22(26)27)21-15-20-19(14-16(21)2)23(3,4)12-13-24(20,5)6/h8-11,14-15H,7,12-13H2,1-6H3,(H,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	7.90	n/a	n/a	n/a	n/a
Arizona State University Curated by ChEMBL					Assay Description Agonist activity at human RXR binding domain and activation domain expressed in human HCT116 cells assessed as rexinoid activity incubated for 24 hrs...				J Med Chem 59: 8924-8940 (2016) Article DOI: 10.1021/acs.jmedchem.6b00812 BindingDB Entry DOI: 10.7270/Q26M3B90
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha/RXR-beta/RXR-gamma (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 KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	52	n/a	n/a	n/a	n/a
Arizona State University Curated by ChEMBL					Assay Description Agonist activity at human RXR binding domain and activation domain expressed in human HCT116 cells assessed as rexinoid activity incubated for 24 hrs...				J Med Chem 59: 8924-8940 (2016) Article DOI: 10.1021/acs.jmedchem.6b00812 BindingDB Entry DOI: 10.7270/Q26M3B90
					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoic acid receptor RXR-alpha/RXR-beta/RXR-gamma (Homo sapiens (Human))	BDBM50533810 (CHEMBL4560758) Show SMILES CCN(c1ccc(C(O)=O)c(F)c1)c1ccc2c(c1)C(C)(C)CCC2(C)C Show InChI InChI=1S/C23H28FNO2/c1-6-25(16-7-9-17(21(26)27)20(24)14-16)15-8-10-18-19(13-15)23(4,5)12-11-22(18,2)3/h7-10,13-14H,6,11-12H2,1-5H3,(H,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	126	n/a	n/a	n/a	n/a
Arizona State University Curated by ChEMBL					Assay Description Agonist activity at human RXR binding domain and activation domain expressed in human HCT116 cells assessed as rexinoid activity incubated for 24 hrs...				J Med Chem 59: 8924-8940 (2016) Article DOI: 10.1021/acs.jmedchem.6b00812 BindingDB Entry DOI: 10.7270/Q26M3B90
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha/RXR-beta/RXR-gamma (Homo sapiens (Human))	BDBM50533811 (CHEMBL4475014) Show SMILES CCN(c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C Show InChI InChI=1S/C23H29NO2/c1-6-24(17-9-7-16(8-10-17)21(25)26)18-11-12-19-20(15-18)23(4,5)14-13-22(19,2)3/h7-12,15H,6,13-14H2,1-5H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	143	n/a	n/a	n/a	n/a
Arizona State University Curated by ChEMBL					Assay Description Agonist activity at human RXR binding domain and activation domain expressed in human HCT116 cells assessed as rexinoid activity incubated for 24 hrs...				J Med Chem 59: 8924-8940 (2016) Article DOI: 10.1021/acs.jmedchem.6b00812 BindingDB Entry DOI: 10.7270/Q26M3B90
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha/RXR-beta/RXR-gamma (Homo sapiens (Human))	BDBM50533812 (CHEMBL4545837) Show SMILES CCN(c1ncc(cn1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C Show InChI InChI=1S/C22H29N3O2/c1-7-25(20-23-12-15(13-24-20)19(26)27)18-11-17-16(10-14(18)2)21(3,4)8-9-22(17,5)6/h10-13H,7-9H2,1-6H3,(H,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a
Arizona State University Curated by ChEMBL					Assay Description Agonist activity at human RXR binding domain and activation domain expressed in human HCT116 cells assessed as rexinoid activity incubated for 24 hrs...				J Med Chem 59: 8924-8940 (2016) Article DOI: 10.1021/acs.jmedchem.6b00812 BindingDB Entry DOI: 10.7270/Q26M3B90
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha/RXR-beta/RXR-gamma (Homo sapiens (Human))	BDBM50533813 (CHEMBL4476213) Show SMILES CCN(c1ccc(C(O)=O)c(F)c1)c1cc2c(cc1C)C(C)(C)CCC2(C)C Show InChI InChI=1S/C24H30FNO2/c1-7-26(16-8-9-17(22(27)28)20(25)13-16)21-14-19-18(12-15(21)2)23(3,4)10-11-24(19,5)6/h8-9,12-14H,7,10-11H2,1-6H3,(H,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	34	n/a	n/a	n/a	n/a
Arizona State University Curated by ChEMBL					Assay Description Agonist activity at human RXR binding domain and activation domain expressed in human HCT116 cells assessed as rexinoid activity incubated for 24 hrs...				J Med Chem 59: 8924-8940 (2016) Article DOI: 10.1021/acs.jmedchem.6b00812 BindingDB Entry DOI: 10.7270/Q26M3B90
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha/RXR-beta/RXR-gamma (Homo sapiens (Human))	BDBM50533814 (CHEMBL4459731) Show SMILES CCN(c1ccc(cn1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C Show InChI InChI=1S/C23H30N2O2/c1-7-25(20-9-8-16(14-24-20)21(26)27)19-13-18-17(12-15(19)2)22(3,4)10-11-23(18,5)6/h8-9,12-14H,7,10-11H2,1-6H3,(H,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
Arizona State University Curated by ChEMBL					Assay Description Agonist activity at human RXR binding domain and activation domain expressed in human HCT116 cells assessed as rexinoid activity incubated for 24 hrs...				J Med Chem 59: 8924-8940 (2016) Article DOI: 10.1021/acs.jmedchem.6b00812 BindingDB Entry DOI: 10.7270/Q26M3B90
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha/RXR-beta/RXR-gamma (Homo sapiens (Human))	BDBM50324896 (6-[N-Ethyl(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-...) Show SMILES CCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(cn1)C(O)=O Show InChI InChI=1S/C22H28N2O2/c1-6-24(19-10-7-15(14-23-19)20(25)26)16-8-9-17-18(13-16)22(4,5)12-11-21(17,2)3/h7-10,13-14H,6,11-12H2,1-5H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
Arizona State University Curated by ChEMBL					Assay Description Agonist activity at human RXR binding domain and activation domain expressed in human HCT116 cells assessed as rexinoid activity incubated for 24 hrs...				J Med Chem 59: 8924-8940 (2016) Article DOI: 10.1021/acs.jmedchem.6b00812 BindingDB Entry DOI: 10.7270/Q26M3B90
					More data for this Ligand-Target Pair