Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 1' and Ligand = 'BDBM50082677'   

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))	BDBM50082677 (5-{3-[4-(4-Chloro-3-trifluoromethyl-phenyl)-4-hydr...) Show SMILES OC1(CCN(CCCC2(C#N)c3ccccc3CSc3ccccc23)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C30H28ClF3N2OS/c31-26-11-10-22(18-25(26)30(32,33)34)29(37)13-16-36(17-14-29)15-5-12-28(20-35)23-7-2-1-6-21(23)19-38-27-9-4-3-8-24(27)28/h1-4,6-11,18,37H,5,12-17,19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	224	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells				J Med Chem 42: 4680-94 (1999) BindingDB Entry DOI: 10.7270/Q2125TCC
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