BDBM194561 US9205085, MSX- 192

SMILES: Fc1cnc(NCc2ccc(CNc3ncc(F)c(Cl)n3)cc2)nc1Cl

InChI Key: InChIKey=WICMFQOOZMHGON-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 = 194561   

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))	BDBM194561 (US9205085, MSX- 192) Show SMILES Fc1cnc(NCc2ccc(CNc3ncc(F)c(Cl)n3)cc2)nc1Cl Show InChI InChI=1S/C16H12Cl2F2N6/c17-13-11(19)7-23-15(25-13)21-5-9-1-2-10(4-3-9)6-22-16-24-8-12(20)14(18)26-16/h1-4,7-8H,5-6H2,(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