BDBM194566 US9205085, MSX- 198

SMILES: C(Nc1ccccn1)c1ccc(CNc2ncccn2)cc1

InChI Key: InChIKey=ZSHZNJGIOQBAML-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 = 194566   

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 (Rattus norvegicus (Rat))	BDBM194566 (US9205085, MSX- 198) Show SMILES C(Nc1ccccn1)c1ccc(CNc2ncccn2)cc1 Show InChI InChI=1S/C17H17N5/c1-2-9-18-16(4-1)21-12-14-5-7-15(8-6-14)13-22-17-19-10-3-11-20-17/h1-11H,12-13H2,(H,18,21)(H,19,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	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