BDBM50359129 CHEMBL1922787

SMILES: OCC(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1

InChI Key: InChIKey=JIILPKNLHUAGJM-BJMVGYQFSA-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 = 50359129   

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))	BDBM50359129 (CHEMBL1922787) Show SMILES OCC(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1 |(-5.19,-24.2,;-6.52,-24.96,;-6.53,-26.5,;-7.87,-27.27,;-7.87,-28.81,;-9.21,-29.57,;-9.21,-31.1,;-7.88,-31.88,;-6.54,-31.11,;-6.54,-29.57,;-7.88,-33.42,;-9.13,-34.33,;-8.65,-35.79,;-7.11,-35.78,;-6.08,-36.92,;-4.58,-36.6,;-4.11,-35.13,;-5.14,-34,;-6.64,-34.32,;-5.2,-27.28,;-5.21,-28.82,;-3.89,-29.59,;-2.55,-28.83,;-2.54,-27.29,;-3.87,-26.51,;-1.22,-29.61,;-1.23,-31.15,;.12,-28.85,;1.45,-29.63,;2.79,-28.87,;2.79,-27.34,;4.12,-26.57,;4.12,-25.03,;5.46,-27.35,;6.8,-26.59,;5.45,-28.89,;6.77,-29.67,;4.11,-29.65,)| Show InChI InChI=1S/C30H34F3N3O2/c31-25-15-19(16-26(32)30(25)33)5-10-29(38)36-13-11-21(12-14-36)28(18-37)35-22-8-6-20(7-9-22)24-17-34-27-4-2-1-3-23(24)27/h1-5,10,15-17,20-22,28,34-35,37H,6-9,11-14,18H2/b10-5+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20E+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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