Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bcl-2-related protein A1' and Ligand = 'BDBM142745'   

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
Bcl-2-related protein A1 (Homo sapiens (Human))	BDBM142745 (US8937193, 6a) Show SMILES CC(C)c1c(O)c(O)cc2c1c(=O)c(C)c(-c1c(C)c(=O)c3c(C(C)C)c(O)c(O)cc3c1=O)c2=O |(-4.65,-4.76,;-5.98,-3.99,;-7.31,-4.76,;-5.98,-2.45,;-7.31,-1.68,;-8.65,-2.45,;-7.31,-.14,;-8.65,.63,;-5.98,.63,;-4.65,-.14,;-4.65,-1.68,;-3.31,-2.45,;-3.31,-3.99,;-1.98,-1.68,;-.65,-2.45,;-1.98,-.14,;-.65,.63,;-.65,2.17,;-1.98,2.94,;.69,2.94,;.69,4.48,;2.02,2.17,;3.36,2.94,;3.36,4.48,;2.02,5.25,;4.69,5.25,;4.69,2.17,;6.02,2.94,;4.69,.63,;6.02,-.14,;3.36,-.14,;2.02,.63,;.69,-.2,;.69,-1.74,;-3.31,.68,;-3.31,2.22,)| Show InChI InChI=1S/C28H26O8/c1-9(2)17-21-13(7-15(29)27(17)35)25(33)19(11(5)23(21)31)20-12(6)24(32)22-14(26(20)34)8-16(30)28(36)18(22)10(3)4/h7-10,29-30,35-36H,1-6H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.17E+3	n/a	n/a	n/a	n/a	n/a	25
Sanford-Burnham Medical Research Institute US Patent					Assay Description A Bak BH3 peptide (F-BakBH3) (GQVGRQLAIIGDDINR (SEQ ID NO:1)) was labeled at the N-terminus with fluorescein isothiocyanate (FITC) (Molecular Probes)...				US Patent US8937193 (2015) BindingDB Entry DOI: 10.7270/Q20C4TG4
					More data for this Ligand-Target Pair