Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 1' and Ligand = 'BDBM50435688'   

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))	BDBM50435688 (CHEMBL2391797) Show SMILES CN(C)[C@@H]1CCN(C1)C(=O)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r| Show InChI InChI=1S/C28H36ClN3O5/c1-30(2)21-7-10-32(16-21)27(35)24-5-4-22(33)14-26(24)36-18-23(34)17-31-11-8-28(9-12-31)15-19-13-20(29)3-6-25(19)37-28/h3-6,13-14,21,23,33-34H,7-12,15-18H2,1-2H3/t21-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	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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