Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 1' and Ligand = 'BDBM50430284'   

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))	BDBM50430284 (CHEMBL2332930) Show SMILES COc1ccc(NC(C)=O)c(OC[C@@H](O)CN2CCC3(Cc4cc(Cl)ccc4O3)CC2)c1 |r| Show InChI InChI=1S/C24H29ClN2O5/c1-16(28)26-21-5-4-20(30-2)12-23(21)31-15-19(29)14-27-9-7-24(8-10-27)13-17-11-18(25)3-6-22(17)32-24/h3-6,11-12,19,29H,7-10,13-15H2,1-2H3,(H,26,28)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293 cells after 1.5 hrs				Bioorg Med Chem Lett 23: 1883-6 (2013) Article DOI: 10.1016/j.bmcl.2012.12.095 BindingDB Entry DOI: 10.7270/Q2BG2QBG
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