Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 438.9 BDBM50374809

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits 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))	BDBM50374809 (CHEMBL272559) Show SMILES COc1ccc(cc1)S(=O)(=O)NCCCN1CCC(O)(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H27ClN2O4S/c1-28-19-7-9-20(10-8-19)29(26,27)23-13-2-14-24-15-11-21(25,12-16-24)17-3-5-18(22)6-4-17/h3-10,23,25H,2,11-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Research Laboratories USA, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human CCR1 receptor expressed in THP1 cells assessed as human MIP-1-alpha-stimulated intracellular calcium level by FLIPR assa...				Bioorg Med Chem Lett 18: 2215-21 (2008) Article DOI: 10.1016/j.bmcl.2007.09.068 BindingDB Entry DOI: 10.7270/Q21C1XQP
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50374809 (CHEMBL272559) Show SMILES COc1ccc(cc1)S(=O)(=O)NCCCN1CCC(O)(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H27ClN2O4S/c1-28-19-7-9-20(10-8-19)29(26,27)23-13-2-14-24-15-11-21(25,12-16-24)17-3-5-18(22)6-4-17/h3-10,23,25H,2,11-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Research Laboratories USA, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MIP1-alpha from human CCR1 receptor expressed in THP1 cells				Bioorg Med Chem Lett 18: 2215-21 (2008) Article DOI: 10.1016/j.bmcl.2007.09.068 BindingDB Entry DOI: 10.7270/Q21C1XQP
					More data for this Ligand-Target Pair