Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 1' and Ligand = 'BDBM50374846'   

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 1 (Homo sapiens (Human))	BDBM50374846 (CHEMBL256272) Show SMILES CC1CC(CCN1S(=O)(=O)c1ccccc1Br)N1CCC(O)(CC1)c1ccc(Cl)cc1 |w:3.18,1.0| Show InChI InChI=1S/C23H28BrClN2O3S/c1-17-16-20(10-13-27(17)31(29,30)22-5-3-2-4-21(22)24)26-14-11-23(28,12-15-26)18-6-8-19(25)9-7-18/h2-9,17,20,28H,10-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Research Laboratories USA, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human CCR1 receptor expressed in THP1 cells assessed as human MIP-1-alpha-stimulated intracellular calcium level by FLIPR assa...				Bioorg Med Chem Lett 18: 2215-21 (2008) Article DOI: 10.1016/j.bmcl.2007.09.068 BindingDB Entry DOI: 10.7270/Q21C1XQP
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50374846 (CHEMBL256272) Show SMILES CC1CC(CCN1S(=O)(=O)c1ccccc1Br)N1CCC(O)(CC1)c1ccc(Cl)cc1 |w:3.18,1.0| Show InChI InChI=1S/C23H28BrClN2O3S/c1-17-16-20(10-13-27(17)31(29,30)22-5-3-2-4-21(22)24)26-14-11-23(28,12-15-26)18-6-8-19(25)9-7-18/h2-9,17,20,28H,10-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Research Laboratories USA, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MIP1-alpha from human CCR1 receptor expressed in THP1 cells				Bioorg Med Chem Lett 18: 2215-21 (2008) Article DOI: 10.1016/j.bmcl.2007.09.068 BindingDB Entry DOI: 10.7270/Q21C1XQP
					More data for this Ligand-Target Pair