Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 460.6 BDBM50105523

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))	BDBM50105523 (1-((3S,4S)-1-Benzenesulfonyl-4-phenyl-pyrrolidin-3...) Show SMILES O=S(=O)(N1C[C@H](CN2CCC(CC2)c2ccccc2)[C@H](C1)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H32N2O2S/c31-33(32,27-14-8-3-9-15-27)30-21-26(28(22-30)25-12-6-2-7-13-25)20-29-18-16-24(17-19-29)23-10-4-1-5-11-23/h1-15,24,26,28H,16-22H2/t26-,28+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	152	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration, binding towards C-C chemokine receptor type 5 using [125I]-MIP-1 alpha as radioligand expressed on CHO cells				Bioorg Med Chem Lett 11: 2741-5 (2001) BindingDB Entry DOI: 10.7270/Q2F47NFC
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