Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 1' and Ligand = 'BDBM50435684'   

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))	BDBM50435684 (CHEMBL2391794) Show SMILES CNC(=O)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(Cc3cc(F)ccc3O2)CC1 |r| Show InChI InChI=1S/C23H27FN2O5/c1-25-22(29)19-4-3-17(27)11-21(19)30-14-18(28)13-26-8-6-23(7-9-26)12-15-10-16(24)2-5-20(15)31-23/h2-5,10-11,18,27-28H,6-9,12-14H2,1H3,(H,25,29)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay				Bioorg Med Chem Lett 23: 3500-4 (2013) Article DOI: 10.1016/j.bmcl.2013.04.047 BindingDB Entry DOI: 10.7270/Q2FJ2J5S
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