Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 570.7 BDBM50249270

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))	BDBM50249270 ((2R)-3-cyclopropyl-2-((3S,4S)-3-(3-fluorophenyl)-4...) Show SMILES OCCOC(CCC1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CC2)C(O)=O)CC1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C33H44F2N2O4/c34-28-9-7-25(8-10-28)32(41-17-16-38)11-6-23-12-14-36(15-13-23)20-27-21-37(31(33(39)40)18-24-4-5-24)22-30(27)26-2-1-3-29(35)19-26/h1-3,7-10,19,23-24,27,30-32,38H,4-6,11-18,20-22H2,(H,39,40)/t27-,30+,31+,32?/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	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Beijing University of Technology Curated by ChEMBL					Assay Description Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells				Eur J Med Chem 43: 2724-34 (2008) Article DOI: 10.1016/j.ejmech.2008.01.040 BindingDB Entry DOI: 10.7270/Q2G44Q3W
					More data for this Ligand-Target Pair