Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 3' and Ligand = 'BDBM50161425'   

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 3 (Homo sapiens (Human))	BDBM50161425 (CHEMBL178422 | [(3S,4S)-4-(3,4-Dichloro-benzyl)-3-...) Show SMILES FC[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccc2ncccc2c1 Show InChI InChI=1S/C28H30Cl2FN3O/c29-25-5-3-19(15-26(25)30)14-20-7-11-34(18-23(20)17-31)24-8-12-33(13-9-24)28(35)22-4-6-27-21(16-22)2-1-10-32-27/h1-6,10,15-16,20,23-24H,7-9,11-14,17-18H2/t20-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line				Bioorg Med Chem Lett 15: 1375-8 (2005) Article DOI: 10.1016/j.bmcl.2005.01.016 BindingDB Entry DOI: 10.7270/Q2B857NS
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