Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 506.6 BDBM50322275

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))	BDBM50322275 ((3S)-1-Butyl-3-(cyclohexylmethyl)-9-[(5-methyl-2-p...) Show SMILES CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(Cc2nc(oc2C)-c2ccccc2)CC1 |r| Show InChI InChI=1S/C30H42N4O3/c1-3-4-17-34-28(35)25(20-23-11-7-5-8-12-23)32-29(36)30(34)15-18-33(19-16-30)21-26-22(2)37-27(31-26)24-13-9-6-10-14-24/h6,9-10,13-14,23,25H,3-5,7-8,11-12,15-21H2,1-2H3,(H,32,36)/t25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	450	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
					More data for this Ligand-Target Pair