Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 560.7 BDBM50319450

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))	BDBM50319450 ((R)-3-(1'-(4,6-dimethylpyrimidine-5-carbonyl)-4'-m...) Show SMILES Cc1ncnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N1[C@@H](CN(C2CCOCC2)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C32H44N6O3/c1-23-29(24(2)34-22-33-23)30(39)35-17-13-32(3,14-18-35)36-15-9-27(10-16-36)38-28(25-7-5-4-6-8-25)21-37(31(38)40)26-11-19-41-20-12-26/h4-8,22,26-28H,9-21H2,1-3H3/t28-/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	90	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Binding affinity at CCR5 receptor by radiolabelled RANTES binding assay				Bioorg Med Chem Lett 20: 3219-22 (2010) Article DOI: 10.1016/j.bmcl.2010.04.077 BindingDB Entry DOI: 10.7270/Q2FT8M63
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