Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 469.6 BDBM50322270

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

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 5 (Homo sapiens (Human))	BDBM50322270 (CHEMBL1173708 | rac-Benzyl 1-butyl-3-(cyclohexylme...) Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(CC1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C27H39N3O4/c1-2-3-16-30-24(31)23(19-21-10-6-4-7-11-21)28-25(32)27(30)14-17-29(18-15-27)26(33)34-20-22-12-8-5-9-13-22/h5,8-9,12-13,21,23H,2-4,6-7,10-11,14-20H2,1H3,(H,28,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Minase Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human CCR5 receptor expressed in CHO cells assessed as inhibition of MIP-1-alpha-stmulated calcium mobilization				Bioorg Med Chem 18: 5208-23 (2010) Article DOI: 10.1016/j.bmc.2010.05.057 BindingDB Entry DOI: 10.7270/Q25H7H7B
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