Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 418.6 BDBM50105532

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))	BDBM50105532 (2-Ethyl-1-[(3S,4S)-3-phenyl-4-(4-phenyl-piperidin-...) Show SMILES CCC(CC)C(=O)N1C[C@H](CN2CCC(CC2)c2ccccc2)[C@H](C1)c1ccccc1 Show InChI InChI=1S/C28H38N2O/c1-3-22(4-2)28(31)30-20-26(27(21-30)25-13-9-6-10-14-25)19-29-17-15-24(16-18-29)23-11-7-5-8-12-23/h5-14,22,24,26-27H,3-4,15-21H2,1-2H3/t26-,27+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	57	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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