Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 3' and Ligand = 'BDBM50100082'   

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))	BDBM50100082 ((S)-2-[(S)-2-[(Naphthalene-1-carbonyl)-amino]-3-(4...) Show SMILES CCOC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)c1cccc2ccccc12 Show InChI InChI=1S/C25H25N3O6/c1-3-34-25(31)16(2)26-24(30)22(15-17-11-13-19(14-12-17)28(32)33)27-23(29)21-10-6-8-18-7-4-5-9-20(18)21/h4-14,16,22H,3,15H2,1-2H3,(H,26,30)(H,27,29)/t16-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	383	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity against C-C chemokine receptor type 3				Bioorg Med Chem Lett 11: 1445-50 (2001) BindingDB Entry DOI: 10.7270/Q23N22N6
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