Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 454.6 BDBM50105542

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))	BDBM50105542 ((3-Methoxy-phenyl)-[(3S,4S)-3-phenyl-4-(4-phenyl-p...) Show SMILES COc1cccc(c1)C(=O)N1C[C@H](CN2CCC(CC2)c2ccccc2)[C@H](C1)c1ccccc1 Show InChI InChI=1S/C30H34N2O2/c1-34-28-14-8-13-26(19-28)30(33)32-21-27(29(22-32)25-11-6-3-7-12-25)20-31-17-15-24(16-18-31)23-9-4-2-5-10-23/h2-14,19,24,27,29H,15-18,20-22H2,1H3/t27-,29+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	140	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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