Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for entry = 50037829   

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	n/a	n/a	1.30	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]PK-11195 from PBR in Sprague-Dawley rat brain				J Med Chem 50: 848-55 (2007) Article DOI: 10.1021/jm061127n BindingDB Entry DOI: 10.7270/Q2B858XS
					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	n/a	n/a	1.60	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 PBR in Sprague-Dawley rat brain				J Med Chem 50: 848-55 (2007) Article DOI: 10.1021/jm061127n BindingDB Entry DOI: 10.7270/Q2B858XS
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50205314 (CHEMBL220641 | N-(5-fluoro-2-phenoxyphenyl)-N-(2-i...) Show SMILES COc1ccc(I)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1 Show InChI InChI=1S/C22H19FINO3/c1-15(26)25(14-16-12-19(27-2)9-10-20(16)24)21-13-17(23)8-11-22(21)28-18-6-4-3-5-7-18/h3-13H,14H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40	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]PK-11195 from PBR in Sprague-Dawley rat brain				J Med Chem 50: 848-55 (2007) Article DOI: 10.1021/jm061127n BindingDB Entry DOI: 10.7270/Q2B858XS
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50205314 (CHEMBL220641 | N-(5-fluoro-2-phenoxyphenyl)-N-(2-i...) Show SMILES COc1ccc(I)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1 Show InChI InChI=1S/C22H19FINO3/c1-15(26)25(14-16-12-19(27-2)9-10-20(16)24)21-13-17(23)8-11-22(21)28-18-6-4-3-5-7-18/h3-13H,14H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.80	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 PBR in Sprague-Dawley rat brain				J Med Chem 50: 848-55 (2007) Article DOI: 10.1021/jm061127n BindingDB Entry DOI: 10.7270/Q2B858XS
					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	n/a	n/a	8.30	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 PBR in Sprague-Dawley rat brain				J Med Chem 50: 848-55 (2007) Article DOI: 10.1021/jm061127n BindingDB Entry DOI: 10.7270/Q2B858XS
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	n/a	n/a	9.20	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]PK-11195 from PBR in Sprague-Dawley rat brain				J Med Chem 50: 848-55 (2007) Article DOI: 10.1021/jm061127n BindingDB Entry DOI: 10.7270/Q2B858XS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Translocator protein (Rattus norvegicus (rat))	BDBM50205315 (CHEMBL220642 | N-(2,5-dimethoxybenzyl)-N-(5-iodo-2...) Show SMILES COc1ccc(OC)c(CN(C(C)=O)c2cc(I)ccc2Oc2ccccc2)c1 Show InChI InChI=1S/C23H22INO4/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	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	60.1	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]PK-11195 from PBR in Sprague-Dawley rat brain				J Med Chem 50: 848-55 (2007) Article DOI: 10.1021/jm061127n BindingDB Entry DOI: 10.7270/Q2B858XS
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50205315 (CHEMBL220642 | N-(2,5-dimethoxybenzyl)-N-(5-iodo-2...) Show SMILES COc1ccc(OC)c(CN(C(C)=O)c2cc(I)ccc2Oc2ccccc2)c1 Show InChI InChI=1S/C23H22INO4/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	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	69.2	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 PBR in Sprague-Dawley rat brain				J Med Chem 50: 848-55 (2007) Article DOI: 10.1021/jm061127n BindingDB Entry DOI: 10.7270/Q2B858XS
					More data for this Ligand-Target Pair