Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 549.6 BDBM50165073

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))	BDBM50165073 ((R)-3-Cyclobutyl-2-{(3S,4S)-3-(3-fluoro-phenyl)-4-...) Show SMILES OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2cnc3ccc(cn23)[N+]([O-])=O)[C@H](C1)c1cccc(F)c1 Show InChI InChI=1S/C30H36FN5O4/c31-24-6-2-5-22(14-24)26-19-34(27(30(37)38)13-20-3-1-4-20)17-23(26)16-33-11-9-21(10-12-33)28-15-32-29-8-7-25(36(39)40)18-35(28)29/h2,5-8,14-15,18,20-21,23,26-27H,1,3-4,9-13,16-17,19H2,(H,37,38)/t23-,26+,27+/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	0.600	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
					More data for this Ligand-Target Pair