Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 489.6 BDBM50105558

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))	BDBM50105558 (CHEMBL327898 | [1-((3S,4S)-1-Benzyl-4-phenyl-pyrro...) Show SMILES COC(=O)N(CC1CCCC1)C1CCN(C[C@H]2CN(Cc3ccccc3)C[C@@H]2c2ccccc2)CC1 Show InChI InChI=1S/C31H43N3O2/c1-36-31(35)34(21-26-12-8-9-13-26)29-16-18-32(19-17-29)22-28-23-33(20-25-10-4-2-5-11-25)24-30(28)27-14-6-3-7-15-27/h2-7,10-11,14-15,26,28-30H,8-9,12-13,16-24H2,1H3/t28-,30+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	46	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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