Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 498.7 BDBM50254676

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))	BDBM50254676 ((R)-1-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbony...) Show SMILES CCCC[C@H]1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)C(=O)NC |r| Show InChI InChI=1S/C28H46N6O2/c1-6-7-8-23-19-33(26(36)29-5)16-11-28(23)12-17-34(18-13-28)27(4)9-14-32(15-10-27)25(35)24-21(2)30-20-31-22(24)3/h20,23H,6-19H2,1-5H3,(H,29,36)/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Antagonist activity at CCR5 receptor (unknown origin) by radiolabelled RANTES binding assay				Bioorg Med Chem Lett 19: 209-13 (2008) Article DOI: 10.1016/j.bmcl.2008.10.115 BindingDB Entry DOI: 10.7270/Q2FQ9WGB
					More data for this Ligand-Target Pair