Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 414.9 BDBM50399271

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 1 (Homo sapiens (Human))	BDBM50399271 (CHEMBL2180549) Show SMILES CCCC(NC(=O)c1ccccc1)C(=O)N1CCC(O)(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H27ClN2O3/c1-2-6-20(25-21(27)17-7-4-3-5-8-17)22(28)26-15-13-23(29,14-16-26)18-9-11-19(24)12-10-18/h3-5,7-12,20,29H,2,6,13-16H2,1H3,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	521	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1alpha from CCR1 in human THP1 cells				J Med Chem 55: 9643-53 (2012) Article DOI: 10.1021/jm300896d BindingDB Entry DOI: 10.7270/Q2ST7R0S
					More data for this Ligand-Target Pair