BDBM50359106 CHEMBL1922809

SMILES: NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)Cc1ccccc1

InChI Key: InChIKey=ZMQDZIBGZXJYFK-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50359106   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50359106 (CHEMBL1922809) Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)Cc1ccccc1 |(43.31,5.77,;44.65,5,;45.98,5.76,;44.64,3.46,;43.3,2.69,;43.3,1.15,;41.96,.39,;41.96,-1.14,;43.29,-1.92,;44.63,-1.15,;44.63,.39,;43.29,-3.46,;42.04,-4.37,;42.52,-5.83,;44.06,-5.82,;45.09,-6.96,;46.59,-6.64,;47.06,-5.17,;46.03,-4.04,;44.53,-4.36,;45.97,2.68,;45.96,1.14,;47.28,.37,;48.62,1.13,;48.63,2.67,;47.3,3.45,;49.95,.35,;49.94,-1.19,;51.29,1.11,;52.62,.33,;52.6,-1.21,;53.93,-1.99,;55.27,-1.23,;55.27,.32,;53.95,1.09,)| Show InChI InChI=1S/C29H36N4O2/c30-29(35)28(22-14-16-33(17-15-22)27(34)18-20-6-2-1-3-7-20)32-23-12-10-21(11-13-23)25-19-31-26-9-5-4-8-24(25)26/h1-9,19,21-23,28,31-32H,10-18H2,(H2,30,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human CCR2				Bioorg Med Chem Lett 21: 7496-501 (2011) Article DOI: 10.1016/j.bmcl.2011.09.113 BindingDB Entry DOI: 10.7270/Q22J6C9M
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