Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 1' and Ligand = 'BDBM50174716'   

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))	BDBM50174716 (4-(2-((R)-4-(4-fluorobenzyl)-2-methylpiperazin-1-y...) Show SMILES COc1cc2C(CC(=O)N3CCN(Cc4ccc(F)cc4)C[C@H]3C)NC(=O)Nc2cc1Cl Show InChI InChI=1S/C23H26ClFN4O3/c1-14-12-28(13-15-3-5-16(25)6-4-15)7-8-29(14)22(30)11-20-17-9-21(32-2)18(24)10-19(17)26-23(31)27-20/h3-6,9-10,14,20H,7-8,11-13H2,1-2H3,(H2,26,27,31)/t14-,20?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonistic activity at human CCR1 in CHO-K1 cells				Bioorg Med Chem Lett 15: 5160-4 (2005) Article DOI: 10.1016/j.bmcl.2005.08.057 BindingDB Entry DOI: 10.7270/Q2C53MMD
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