Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 596.7 BDBM50322287

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))	BDBM50322287 (4-(4-{[(3S)-1-Butyl-3-(cyclohexylmethyl)-2,5-dioxo...) Show SMILES CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)S(N)(=O)=O)cc2)CC1 |r| Show InChI InChI=1S/C32H44N4O5S/c1-2-3-19-36-30(37)29(22-24-7-5-4-6-8-24)34-31(38)32(36)17-20-35(21-18-32)23-25-9-11-26(12-10-25)41-27-13-15-28(16-14-27)42(33,39)40/h9-16,24,29H,2-8,17-23H2,1H3,(H,34,38)(H2,33,39,40)/t29-/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	28	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