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 = 'BDBM194580'   

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))	BDBM194580 (US9205085, MSX- 214) Show SMILES OC(=O)c1cccc(NCc2ccc(CNc3ccccc3)cc2)c1 Show InChI InChI=1S/C21H20N2O2/c24-21(25)18-5-4-8-20(13-18)23-15-17-11-9-16(10-12-17)14-22-19-6-2-1-3-7-19/h1-13,22-23H,14-15H2,(H,24,25)	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
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