Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50037694   

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
Translocator protein (Rattus norvegicus (rat))	BDBM50185958 (CHEMBL205971 | N-(2-methoxybenzyl)-N-(4-chloro-2-p...) Show SMILES COc1ccccc1CN(C(C)=O)c1ccc(Cl)cc1Oc1ccccc1 Show InChI InChI=1S/C22H20ClNO3/c1-16(25)24(15-17-8-6-7-11-21(17)26-2)20-13-12-18(23)14-22(20)27-19-9-4-3-5-10-19/h3-14H,15H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Displacement of [11C](R)-PK1119 from Sprague-Dawley rat brain PBR				J Med Chem 49: 2735-42 (2006) Article DOI: 10.1021/jm060006k BindingDB Entry DOI: 10.7270/Q20K29CW
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50185958 (CHEMBL205971 | N-(2-methoxybenzyl)-N-(4-chloro-2-p...) Show SMILES COc1ccccc1CN(C(C)=O)c1ccc(Cl)cc1Oc1ccccc1 Show InChI InChI=1S/C22H20ClNO3/c1-16(25)24(15-17-8-6-7-11-21(17)26-2)20-13-12-18(23)14-22(20)27-19-9-4-3-5-10-19/h3-14H,15H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Displacement of [11C](R)-PK1119 from Sprague-Dawley rat brain PBR				J Med Chem 49: 2735-42 (2006) Article DOI: 10.1021/jm060006k BindingDB Entry DOI: 10.7270/Q20K29CW
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50185959 (CHEMBL381602 | N-(2-ethoxybenzyl)-N-(4-chloro-2-ph...) Show SMILES CCOc1ccccc1CN(C(C)=O)c1ccc(Cl)cc1Oc1ccccc1 Show InChI InChI=1S/C23H22ClNO3/c1-3-27-22-12-8-7-9-18(22)16-25(17(2)26)21-14-13-19(24)15-23(21)28-20-10-5-4-6-11-20/h4-15H,3,16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Displacement of [11C](R)-PK1119 from Sprague-Dawley rat brain PBR				J Med Chem 49: 2735-42 (2006) Article DOI: 10.1021/jm060006k BindingDB Entry DOI: 10.7270/Q20K29CW
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50185959 (CHEMBL381602 | N-(2-ethoxybenzyl)-N-(4-chloro-2-ph...) Show SMILES CCOc1ccccc1CN(C(C)=O)c1ccc(Cl)cc1Oc1ccccc1 Show InChI InChI=1S/C23H22ClNO3/c1-3-27-22-12-8-7-9-18(22)16-25(17(2)26)21-14-13-19(24)15-23(21)28-20-10-5-4-6-11-20/h4-15H,3,16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Displacement of [11C](R)-PK1119 from Sprague-Dawley rat brain PBR				J Med Chem 49: 2735-42 (2006) Article DOI: 10.1021/jm060006k BindingDB Entry DOI: 10.7270/Q20K29CW
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50122293 (CHEMBL401000 | CHEMBL63064 | N-(2,5-Dimethoxy-benz...) Show SMILES COc1ccc(OC)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1 Show InChI InChI=1S/C23H22FNO4/c1-16(26)25(15-17-13-20(27-2)10-12-22(17)28-3)21-14-18(24)9-11-23(21)29-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Displacement of [11C](R)-PK1119 from Sprague-Dawley rat brain PBR				J Med Chem 49: 2735-42 (2006) Article DOI: 10.1021/jm060006k BindingDB Entry DOI: 10.7270/Q20K29CW
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50122293 (CHEMBL401000 | CHEMBL63064 | N-(2,5-Dimethoxy-benz...) Show SMILES COc1ccc(OC)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1 Show InChI InChI=1S/C23H22FNO4/c1-16(26)25(15-17-13-20(27-2)10-12-22(17)28-3)21-14-18(24)9-11-23(21)29-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Displacement of [11C]DAA1106 from Sprague-Dawley rat brain PBR				J Med Chem 49: 2735-42 (2006) Article DOI: 10.1021/jm060006k BindingDB Entry DOI: 10.7270/Q20K29CW
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50185957 (CHEMBL205767 | N-(2-isopropoxybenzyl)-N-(4-chloro-...) Show SMILES CC(C)Oc1ccccc1CN(C(C)=O)c1ccc(Cl)cc1Oc1ccccc1 Show InChI InChI=1S/C24H24ClNO3/c1-17(2)28-23-12-8-7-9-19(23)16-26(18(3)27)22-14-13-20(25)15-24(22)29-21-10-5-4-6-11-21/h4-15,17H,16H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Displacement of [11C](R)-PK1119 from Sprague-Dawley rat brain PBR				J Med Chem 49: 2735-42 (2006) Article DOI: 10.1021/jm060006k BindingDB Entry DOI: 10.7270/Q20K29CW
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM22032 (1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...) Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Displacement of [11C](R)-PK1119 from Sprague-Dawley rat brain PBR				J Med Chem 49: 2735-42 (2006) Article DOI: 10.1021/jm060006k BindingDB Entry DOI: 10.7270/Q20K29CW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Translocator protein (Rattus norvegicus (rat))	BDBM50185957 (CHEMBL205767 | N-(2-isopropoxybenzyl)-N-(4-chloro-...) Show SMILES CC(C)Oc1ccccc1CN(C(C)=O)c1ccc(Cl)cc1Oc1ccccc1 Show InChI InChI=1S/C24H24ClNO3/c1-17(2)28-23-12-8-7-9-19(23)16-26(18(3)27)22-14-13-20(25)15-24(22)29-21-10-5-4-6-11-21/h4-15,17H,16H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Displacement of [11C]DAA1106 from Sprague-Dawley rat brain PBR				J Med Chem 49: 2735-42 (2006) Article DOI: 10.1021/jm060006k BindingDB Entry DOI: 10.7270/Q20K29CW
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM22032 (1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...) Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Displacement of [11C]DAA1106 from Sprague-Dawley rat brain PBR				J Med Chem 49: 2735-42 (2006) Article DOI: 10.1021/jm060006k BindingDB Entry DOI: 10.7270/Q20K29CW
					More data for this Ligand-Target Pair				3D Structure (crystal)