Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 504.7 BDBM50100012

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))	BDBM50100012 (1'-[4-phenyl-1-phenylsulfonyl-(3S,4S)-tetrahydro-1...) Show SMILES O=S(=O)(N1C[C@H](CN2CCC3(CSc4ccccc34)CC2)[C@H](C1)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H32N2O2S2/c32-35(33,25-11-5-2-6-12-25)31-20-24(26(21-31)23-9-3-1-4-10-23)19-30-17-15-29(16-18-30)22-34-28-14-8-7-13-27(28)29/h1-14,24,26H,15-22H2/t24-,26+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Ability to displace [125 I]-MIP-1alpha from C-C chemokine receptor type 5 expressed on CHO cell membranes				Bioorg Med Chem Lett 11: 1437-40 (2001) BindingDB Entry DOI: 10.7270/Q2VM4CSZ
					More data for this Ligand-Target Pair