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 = 'BDBM194559'   

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))	BDBM194559 (US9205085, MSX- 190) Show SMILES Clc1nc(Cl)nc(NCc2ccc(CNc3nc(Cl)nc(Cl)n3)cc2)n1 Show InChI InChI=1S/C14H10Cl4N8/c15-9-21-10(16)24-13(23-9)19-5-7-1-2-8(4-3-7)6-20-14-25-11(17)22-12(18)26-14/h1-4H,5-6H2,(H,19,21,23,24)(H,20,22,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	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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