Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-X-C chemokine receptor type 4' and Ligand = 'BDBM194562'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM194562 (US9205085, MSX- 193) Show SMILES Fc1nccc(NCc2ccc(CNc3ccnc(F)n3)cc2)n1 Show InChI InChI=1S/C16H14F2N6/c17-15-19-7-5-13(23-15)21-9-11-1-2-12(4-3-11)10-22-14-6-8-20-16(18)24-14/h1-8H,9-10H2,(H,19,21,23)(H,20,22,24)	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
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