Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 1' and Ligand = 'BDBM50430281'   

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))	BDBM50430281 (CHEMBL2332941) Show SMILES CC(=O)Nc1ccc(O)cc1OC[C@@H](N)CN1CCC2(Cc3cc(F)ccc3O2)CC1 |r| Show InChI InChI=1S/C23H28FN3O4/c1-15(28)26-20-4-3-19(29)11-22(20)30-14-18(25)13-27-8-6-23(7-9-27)12-16-10-17(24)2-5-21(16)31-23/h2-5,10-11,18,29H,6-9,12-14,25H2,1H3,(H,26,28)/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	1.40	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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