BDBM194565 US9205085, MSX- 197

SMILES: Fc1ccc(NCc2ccc(CNc3ncccn3)cc2)nc1

InChI Key: InChIKey=QARBUQTYFTUULW-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 = 194565   

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 (CXCR4/SDF-1) (Rattus norvegicus (Rat))	BDBM194565 (US9205085, MSX- 197) Show SMILES Fc1ccc(NCc2ccc(CNc3ncccn3)cc2)nc1 Show InChI InChI=1S/C17H16FN5/c18-15-6-7-16(22-12-15)21-10-13-2-4-14(5-3-13)11-23-17-19-8-1-9-20-17/h1-9,12H,10-11H2,(H,21,22)(H,19,20,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Emory University US Patent					Assay Description A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high ...				US Patent US9205085 (2015) BindingDB Entry DOI: 10.7270/Q2FF3R5M
					More data for this Ligand-Target Pair