Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 1' and Ligand = 'BDBM50508197'   

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))	BDBM50508197 (CHEMBL4559388) Show SMILES CS(=O)(=O)c1cccc(CNC(=O)c2cccc3n(ncc23)-c2ccc(F)cc2)c1 Show InChI InChI=1S/C22H18FN3O3S/c1-30(28,29)18-5-2-4-15(12-18)13-24-22(27)19-6-3-7-21-20(19)14-25-26(21)17-10-8-16(23)9-11-17/h2-12,14H,13H2,1H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...				Bioorg Med Chem Lett 29: 441-448 (2019) Article DOI: 10.1016/j.bmcl.2018.12.024 BindingDB Entry DOI: 10.7270/Q2P55RT9
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