BDBM50359136 CHEMBL1922820

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

InChI Key: InChIKey=MKWNYUAEANRWHY-CXUHLZMHSA-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 = 50359136   

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))	BDBM50359136 (CHEMBL1922820) Show SMILES CN(C)c1ccc(\C=C\C(=O)N2CCC(CC2)C(NC2CCC(CC2)c2c[nH]c3ccccc23)C(N)=O)cc1 |(7.79,-42.7,;6.46,-41.93,;6.47,-40.39,;5.12,-42.69,;5.11,-44.23,;3.77,-44.99,;2.45,-44.21,;1.11,-44.97,;-.22,-44.19,;-1.55,-44.95,;-1.56,-46.49,;-2.88,-44.17,;-4.22,-44.93,;-5.55,-44.16,;-5.53,-42.61,;-4.21,-41.85,;-2.87,-42.63,;-6.86,-41.84,;-8.2,-42.61,;-8.2,-44.15,;-9.54,-44.91,;-9.54,-46.44,;-8.21,-47.22,;-6.88,-46.45,;-6.87,-44.91,;-8.22,-48.76,;-9.46,-49.67,;-8.98,-51.13,;-7.45,-51.12,;-6.42,-52.26,;-4.91,-51.94,;-4.44,-50.47,;-5.47,-49.34,;-6.97,-49.66,;-6.86,-40.3,;-8.19,-39.53,;-5.52,-39.53,;2.45,-42.67,;3.79,-41.91,)| Show InChI InChI=1S/C32H41N5O2/c1-36(2)26-14-7-22(8-15-26)9-16-30(38)37-19-17-24(18-20-37)31(32(33)39)35-25-12-10-23(11-13-25)28-21-34-29-6-4-3-5-27(28)29/h3-9,14-16,21,23-25,31,34-35H,10-13,17-20H2,1-2H3,(H2,33,39)/b16-9+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.89E+3	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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