Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 588.7 BDBM50110088

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))	BDBM50110088 (4N-allyl-4N-[4-nitrobenzyloxycarboyl]-1-[4'-phenyl...) Show SMILES [O-][N+](=O)c1ccc(COC(=O)N(CC=C)C2CCN(C[C@H]3CN4OC5(C[C@H]4[C@@H]3c3ccccc3)CCCCC5)CC2)cc1 Show InChI InChI=1S/C34H44N4O5/c1-2-19-36(33(39)42-25-26-11-13-30(14-12-26)38(40)41)29-15-20-35(21-16-29)23-28-24-37-31(32(28)27-9-5-3-6-10-27)22-34(43-37)17-7-4-8-18-34/h2-3,5-6,9-14,28-29,31-32H,1,4,7-8,15-25H2/t28-,31-,32+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.130	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