BDBM50359132 CHEMBL1922784

SMILES: CN(C(C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)C(O)=O)C1CCC(CC1)c1c[nH]c2ccccc12

InChI Key: InChIKey=HHBFMMLTWZSYIK-IZZDOVSWSA-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 = 50359132   

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))	BDBM50359132 (CHEMBL1922784) Show SMILES CN(C(C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)C(O)=O)C1CCC(CC1)c1c[nH]c2ccccc12 |(-8.21,-10.82,;-6.88,-11.59,;-5.54,-10.82,;-4.21,-11.6,;-4.22,-13.14,;-2.9,-13.91,;-1.56,-13.15,;-1.55,-11.61,;-2.88,-10.83,;-.23,-13.93,;-.24,-15.47,;1.11,-13.17,;2.44,-13.95,;3.77,-13.19,;3.78,-11.66,;5.11,-10.89,;5.11,-9.35,;6.45,-11.67,;7.78,-10.91,;6.43,-13.21,;7.76,-13.99,;5.1,-13.97,;-5.54,-9.28,;-6.87,-8.51,;-4.2,-8.52,;-6.88,-13.13,;-8.22,-13.89,;-8.22,-15.42,;-6.89,-16.2,;-5.55,-15.43,;-5.55,-13.89,;-6.9,-17.74,;-8.14,-18.65,;-7.66,-20.11,;-6.12,-20.1,;-5.1,-21.24,;-3.59,-20.92,;-3.12,-19.45,;-4.15,-18.32,;-5.65,-18.64,)| Show InChI InChI=1S/C31H34F3N3O3/c1-36(22-9-7-20(8-10-22)24-18-35-27-5-3-2-4-23(24)27)30(31(39)40)21-12-14-37(15-13-21)28(38)11-6-19-16-25(32)29(34)26(33)17-19/h2-6,11,16-18,20-22,30,35H,7-10,12-15H2,1H3,(H,39,40)/b11-6+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10E+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
					More data for this Ligand-Target Pair