Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 1' and Ligand = 'BDBM50219951'   

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))	BDBM50219951 (CHEMBL71965) Show SMILES CN(C)C(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1cnc2ccccc2c1)CC(C)=C Show InChI InChI=1S/C28H39N3O3/c1-19(2)14-22(28(34)31(3)4)17-26(32)25(15-20-10-6-5-7-11-20)30-27(33)23-16-21-12-8-9-13-24(21)29-18-23/h8-9,12-13,16,18,20,22,25-26,32H,1,5-7,10-11,14-15,17H2,2-4H3,(H,30,33)/t22-,25+,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Compound was tested for inhibition of CCL3 binding to chemokine receptor-1; inactive at a concentration of 32 uM				Bioorg Med Chem Lett 14: 2163-7 (2004) Article DOI: 10.1016/j.bmcl.2004.02.020 BindingDB Entry DOI: 10.7270/Q2CV4H5M
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