BDBM50274422 CHEMBL4128487

SMILES: Clc1ccc(Nc2nccc3c2CCCN(CCCN2CCC4(CC2)SCc2ccccc42)C3=O)cc1Cl

InChI Key: InChIKey=KIJVLVSXBUKOHJ-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 = 50274422   

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))	BDBM50274422 (CHEMBL4128487) Show SMILES Clc1ccc(Nc2nccc3c2CCCN(CCCN2CCC4(CC2)SCc2ccccc42)C3=O)cc1Cl Show InChI InChI=1S/C30H32Cl2N4OS/c31-26-9-8-22(19-27(26)32)34-28-23-6-3-15-36(29(37)24(23)10-13-33-28)16-4-14-35-17-11-30(12-18-35)25-7-2-1-5-21(25)20-38-30/h1-2,5,7-10,13,19H,3-4,6,11-12,14-18,20H2,(H,33,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.61E+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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