Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 487.6 BDBM50165079

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))	BDBM50165079 ((R)-3-Cyclobutyl-2-[(3S,4S)-3-phenyl-4-(4-[1,2,4]t...) Show SMILES OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2nnc3ccccn23)[C@H](C1)c1ccccc1 Show InChI InChI=1S/C29H37N5O2/c35-29(36)26(17-21-7-6-8-21)33-19-24(25(20-33)22-9-2-1-3-10-22)18-32-15-12-23(13-16-32)28-31-30-27-11-4-5-14-34(27)28/h1-5,9-11,14,21,23-26H,6-8,12-13,15-20H2,(H,35,36)/t24-,25+,26+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-MIP-1 alpha from human C-C chemokine receptor type 5 expressed on CHO cell membranes				Bioorg Med Chem Lett 15: 2129-34 (2005) Article DOI: 10.1016/j.bmcl.2005.02.030 BindingDB Entry DOI: 10.7270/Q21C1WD7
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