Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 596.7 BDBM50110086

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))	BDBM50110086 (Allyl-[1-((2S,3aS,4S,5S)-2,4-diphenyl-hexahydro-py...) Show SMILES [O-][N+](=O)c1ccc(COC(=O)N(CC=C)C2CCN(C[C@H]3CN4O[C@@H](C[C@H]4[C@@H]3c3ccccc3)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C35H40N4O5/c1-2-19-37(35(40)43-25-26-13-15-31(16-14-26)39(41)42)30-17-20-36(21-18-30)23-29-24-38-32(34(29)28-11-7-4-8-12-28)22-33(44-38)27-9-5-3-6-10-27/h2-16,29-30,32-34H,1,17-25H2/t29-,32-,33-,34+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Ability to displace [125I]-labeled MIP-1alpha from the C-C chemokine receptor type 5 expressed on CHO cell membranes				Bioorg Med Chem Lett 12: 677-9 (2002) BindingDB Entry DOI: 10.7270/Q2DF6QHH
					More data for this Ligand-Target Pair