BDBM50521164 CHEMBL4558842

SMILES: Clc1ccccc1CN1CCC(CNCc2ccc3OCOc3c2)CC1

InChI Key: InChIKey=DPYPAWPQWZCYAC-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 = 50521164   

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-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50521164 (CHEMBL4558842) Show SMILES Clc1ccccc1CN1CCC(CNCc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C21H25ClN2O2/c22-19-4-2-1-3-18(19)14-24-9-7-16(8-10-24)12-23-13-17-5-6-20-21(11-17)26-15-25-20/h1-6,11,16,23H,7-10,12-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
Griffin Discoveries BV Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis				Eur J Med Chem 162: 631-649 (2019) Article DOI: 10.1016/j.ejmech.2018.10.060
					More data for this Ligand-Target Pair