Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 482.6 BDBM50105538

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))	BDBM50105538 (2-[(3S,4S)-3-Phenyl-4-(4-phenyl-piperidin-1-ylmeth...) Show SMILES COC(=O)c1ccccc1C(=O)N1C[C@H](CN2CCC(CC2)c2ccccc2)[C@H](C1)c1ccccc1 Show InChI InChI=1S/C31H34N2O3/c1-36-31(35)28-15-9-8-14-27(28)30(34)33-21-26(29(22-33)25-12-6-3-7-13-25)20-32-18-16-24(17-19-32)23-10-4-2-5-11-23/h2-15,24,26,29H,16-22H2,1H3/t26-,29+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	32	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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