BDBM50274479 CHEMBL4126634

SMILES: CN(C1CCN(CCCN2CCCc3c(Nc4cccc(F)c4)nccc3C2=O)CC1)S(C)(=O)=O

InChI Key: InChIKey=OYNSYPQCBRZITH-UHFFFAOYSA-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 = 50274479   

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))	BDBM50274479 (CHEMBL4126634) Show SMILES CN(C1CCN(CCCN2CCCc3c(Nc4cccc(F)c4)nccc3C2=O)CC1)S(C)(=O)=O Show InChI InChI=1S/C25H34FN5O3S/c1-29(35(2,33)34)21-10-16-30(17-11-21)13-5-15-31-14-4-8-22-23(25(31)32)9-12-27-24(22)28-20-7-3-6-19(26)18-20/h3,6-7,9,12,18,21H,4-5,8,10-11,13-17H2,1-2H3,(H,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Antagonist activity at CCR2 (unknown origin) expressed in CHOK1 cells co-expressing Ga16 assessed as inhibition of CCL2 induced intracellular Ca2+ mo...				Bioorg Med Chem 26: 3559-3572 (2018) Article DOI: 10.1016/j.bmc.2018.05.027 BindingDB Entry DOI: 10.7270/Q2H41TZH
					More data for this Ligand-Target Pair