BDBM50359098 CHEMBL1922817

SMILES: CS(=O)(=O)c1ccc(\C=C\C(=O)N2CCC(CC2)C(NC2CCC(CC2)c2c[nH]c3ccccc23)C(N)=O)cc1

InChI Key: InChIKey=UJRYXHXQRMDXJR-OVCLIPMQSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50359098   

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))	BDBM50359098 (CHEMBL1922817) Show SMILES CS(=O)(=O)c1ccc(\C=C\C(=O)N2CCC(CC2)C(NC2CCC(CC2)c2c[nH]c3ccccc23)C(N)=O)cc1 |(24.34,-27.55,;23.01,-26.77,;22.23,-25.43,;23.4,-25.28,;21.67,-27.54,;21.66,-29.08,;20.33,-29.84,;19,-29.06,;17.66,-29.82,;16.34,-29.04,;15,-29.8,;14.99,-31.34,;13.67,-29.02,;12.33,-29.78,;11,-29.01,;11.02,-27.46,;12.34,-26.7,;13.68,-27.48,;9.69,-26.69,;8.35,-27.46,;8.35,-29,;7.01,-29.76,;7.01,-31.29,;8.34,-32.07,;9.67,-31.3,;9.68,-29.76,;8.33,-33.61,;7.09,-34.52,;7.57,-35.98,;9.1,-35.97,;10.13,-37.11,;11.64,-36.79,;12.11,-35.32,;11.08,-34.19,;9.58,-34.51,;9.69,-25.15,;8.36,-24.38,;11.03,-24.38,;19,-27.52,;20.34,-26.76,)| Show InChI InChI=1S/C31H38N4O4S/c1-40(38,39)25-13-6-21(7-14-25)8-15-29(36)35-18-16-23(17-19-35)30(31(32)37)34-24-11-9-22(10-12-24)27-20-33-28-5-3-2-4-26(27)28/h2-8,13-15,20,22-24,30,33-34H,9-12,16-19H2,1H3,(H2,32,37)/b15-8+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.16E+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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