BDBM194568 US9205085, MSX- 201

SMILES: COc1nc(NCc2ccc(CNc3ncc(F)c(OC)n3)cc2)ncc1F

InChI Key: InChIKey=DDBWDRLKMVNSDA-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 = 194568   

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))	BDBM194568 (US9205085, MSX- 201) Show SMILES COc1nc(NCc2ccc(CNc3ncc(F)c(OC)n3)cc2)ncc1F Show InChI InChI=1S/C18H18F2N6O2/c1-27-15-13(19)9-23-17(25-15)21-7-11-3-5-12(6-4-11)8-22-18-24-10-14(20)16(26-18)28-2/h3-6,9-10H,7-8H2,1-2H3,(H,21,23,25)(H,22,24,26)	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