Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50028046   

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))	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	0.0726	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Mental Health Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from rat PBR receptor				J Med Chem 52: 688-99 (2009) Article DOI: 10.1021/jm8011855 BindingDB Entry DOI: 10.7270/Q2HX1CJP
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50255877 (CHEMBL473435 | N-Fluoroacetyl-N-(2,5-dimethoxybenz...) Show SMILES COc1ccc(OC)c(CN(C(=O)CF)c2ccccc2Oc2ccccc2)c1 Show InChI InChI=1S/C23H22FNO4/c1-27-19-12-13-21(28-2)17(14-19)16-25(23(26)15-24)20-10-6-7-11-22(20)29-18-8-4-3-5-9-18/h3-14H,15-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Mental Health Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from rat PBR receptor				J Med Chem 52: 688-99 (2009) Article DOI: 10.1021/jm8011855 BindingDB Entry DOI: 10.7270/Q2HX1CJP
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	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	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.242	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Mental Health Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from human PBR receptor				J Med Chem 52: 688-99 (2009) Article DOI: 10.1021/jm8011855 BindingDB Entry DOI: 10.7270/Q2HX1CJP
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50255877 (CHEMBL473435 | N-Fluoroacetyl-N-(2,5-dimethoxybenz...) Show SMILES COc1ccc(OC)c(CN(C(=O)CF)c2ccccc2Oc2ccccc2)c1 Show InChI InChI=1S/C23H22FNO4/c1-27-19-12-13-21(28-2)17(14-19)16-25(23(26)15-24)20-10-6-7-11-22(20)29-18-8-4-3-5-9-18/h3-14H,15-16H2,1-2H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.997	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Mental Health Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from human PBR receptor				J Med Chem 52: 688-99 (2009) Article DOI: 10.1021/jm8011855 BindingDB Entry DOI: 10.7270/Q2HX1CJP
					More data for this Ligand-Target Pair