Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 8' and Ligand = 'BDBM50203831'   

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
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50203831 (CHEMBL374939 | N-(4-{[(1-butyrylpiperidin-4-yl)ami...) Show SMILES CCCC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)c2ccccc12 Show InChI InChI=1S/C27H31N3O4S/c1-3-8-26(31)30-17-15-20(16-18-30)29-35(33,34)25-14-13-24(22-11-6-7-12-23(22)25)28-27(32)21-10-5-4-9-19(21)2/h4-7,9-14,20,29H,3,8,15-18H2,1-2H3,(H,28,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay				J Med Chem 50: 566-84 (2007) Article DOI: 10.1021/jm061118e BindingDB Entry DOI: 10.7270/Q24J0DSN
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50203831 (CHEMBL374939 | N-(4-{[(1-butyrylpiperidin-4-yl)ami...) Show SMILES CCCC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)c2ccccc12 Show InChI InChI=1S/C27H31N3O4S/c1-3-8-26(31)30-17-15-20(16-18-30)29-35(33,34)25-14-13-24(22-11-6-7-12-23(22)25)28-27(32)21-10-5-4-9-19(21)2/h4-7,9-14,20,29H,3,8,15-18H2,1-2H3,(H,28,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity against human CCR8 expressed in CHO/Galpha16 cells assessed as inhibition of CCL1-induced increase of intracellular calcium by FL...				J Med Chem 50: 566-84 (2007) Article DOI: 10.1021/jm061118e BindingDB Entry DOI: 10.7270/Q24J0DSN
					More data for this Ligand-Target Pair