BDBM50274490 CHEMBL4128832

SMILES: CN(C1CCN(CCCN2CCCc3c(Nc4cc(Cl)cc(Cl)c4)nccc3C2=O)CC1)S(C)(=O)=O

InChI Key: InChIKey=LGTYSWPYKWQPQB-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 = 50274490   

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))	BDBM50274490 (CHEMBL4128832) Show SMILES CN(C1CCN(CCCN2CCCc3c(Nc4cc(Cl)cc(Cl)c4)nccc3C2=O)CC1)S(C)(=O)=O Show InChI InChI=1S/C25H33Cl2N5O3S/c1-30(36(2,34)35)21-7-13-31(14-8-21)10-4-12-32-11-3-5-22-23(25(32)33)6-9-28-24(22)29-20-16-18(26)15-19(27)17-20/h6,9,15-17,21H,3-5,7-8,10-14H2,1-2H3,(H,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.97E+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
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