Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Centromere-associated protein E' and Ligand = 'BDBM50404035'   

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
Centromere-associated protein E (Homo sapiens (Human))	BDBM50404035 (CHEMBL5287177) Show SMILES [O-][N+](=O)c1ccc(NCCC[N-]C(NCCCOc2cccc(CN3CCCCC3)c2)=[NH+]C#N)c2[n-][o+]nc12 |w:31.33| Show InChI InChI=1S/C26H32N9O4/c27-19-31-26(29-12-5-11-28-22-9-10-23(35(36)37)25-24(22)32-39-33-25)30-13-6-16-38-21-8-4-7-20(17-21)18-34-14-2-1-3-15-34/h4,7-10,17,28H,1-3,5-6,11-16,18H2,(H-,29,30,31)/q-1/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	8.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of pig brain farnesyl transferase				Citation and Details
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