Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 503.6 BDBM50322263

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))	BDBM50322263 (CHEMBL1170694 | rac-1-Butyl-3-(cyclopentylmethyl)-...) Show SMILES CCCCN1C(=O)C(CC2CCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 Show InChI InChI=1S/C31H41N3O3/c1-2-3-19-34-29(35)28(22-24-9-7-8-10-24)32-30(36)31(34)17-20-33(21-18-31)23-25-13-15-27(16-14-25)37-26-11-5-4-6-12-26/h4-6,11-16,24,28H,2-3,7-10,17-23H2,1H3,(H,32,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	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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