Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 585.8 BDBM50106999

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))	BDBM50106999 (2-(5-{(3S,4S)-3-Phenyl-4-[4-(3-phenyl-propyl)-pipe...) Show SMILES O=S(=O)(N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@H](C1)c1ccccc1)c1ccc(s1)-c1ccccn1 Show InChI InChI=1S/C34H39N3O2S2/c38-41(39,34-18-17-33(40-34)32-16-7-8-21-35-32)37-25-30(31(26-37)29-14-5-2-6-15-29)24-36-22-19-28(20-23-36)13-9-12-27-10-3-1-4-11-27/h1-8,10-11,14-18,21,28,30-31H,9,12-13,19-20,22-26H2/t30-,31+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Ability to inhibit binding of [125I]-MIP-1 alpha to C-C chemokine receptor type 5 in Chinese hamster ovary (CHO) cell membranes				Bioorg Med Chem Lett 11: 3137-41 (2001) BindingDB Entry DOI: 10.7270/Q2XW4J4W
					More data for this Ligand-Target Pair