Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 419.6 BDBM50104945

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))	BDBM50104945 ((2,6-Dimethyl-phenyl)-{4-[3-methyl-4-(1-phenyl-eth...) Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1CCN(CC1)C(=O)c1c(C)cccc1C)c1ccccc1 Show InChI InChI=1S/C27H37N3O/c1-20-9-8-10-21(2)26(20)27(31)28-15-13-25(14-16-28)29-17-18-30(22(3)19-29)23(4)24-11-6-5-7-12-24/h5-12,22-23,25H,13-19H2,1-4H3/t22-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	275	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity towards C-C chemokine receptor type 5				J Med Chem 44: 3343-6 (2001) BindingDB Entry DOI: 10.7270/Q23X85X2
					More data for this Ligand-Target Pair