Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM177829'   

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
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM177829 (US9120791, Example 48 | US9603854, 50) Show SMILES Cn1ccc2cc(ccc12)N(C(=O)c1cc(-c2cc(OC(F)(F)F)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1 Show InChI InChI=1S/C46H44F3N5O5/c1-50-19-17-31-25-34(11-16-41(31)50)54(33-9-12-36(55)13-10-33)45(57)40-27-43(52-18-5-4-8-42(40)52)39-26-37(59-46(47,48)49)14-15-38(39)44(56)53-28-32-7-3-2-6-30(32)24-35(53)29-51-20-22-58-23-21-51/h2-3,6-7,9-17,19,25-27,35,55H,4-5,8,18,20-24,28-29H2,1H3/t35-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD US Patent					Assay Description The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...				US Patent US9603854 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DMT
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM177829 (US9120791, Example 48 | US9603854, 50) Show SMILES Cn1ccc2cc(ccc12)N(C(=O)c1cc(-c2cc(OC(F)(F)F)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1 Show InChI InChI=1S/C46H44F3N5O5/c1-50-19-17-31-25-34(11-16-41(31)50)54(33-9-12-36(55)13-10-33)45(57)40-27-43(52-18-5-4-8-42(40)52)39-26-37(59-46(47,48)49)14-15-38(39)44(56)53-28-32-7-3-2-6-30(32)24-35(53)29-51-20-22-58-23-21-51/h2-3,6-7,9-17,19,25-27,35,55H,4-5,8,18,20-24,28-29H2,1H3/t35-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD US Patent					Assay Description The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...				US Patent US9603854 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DMT
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Mus musculus (Mouse))	BDBM177829 (US9120791, Example 48 | US9603854, 50) Show SMILES Cn1ccc2cc(ccc12)N(C(=O)c1cc(-c2cc(OC(F)(F)F)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1 Show InChI InChI=1S/C46H44F3N5O5/c1-50-19-17-31-25-34(11-16-41(31)50)54(33-9-12-36(55)13-10-33)45(57)40-27-43(52-18-5-4-8-42(40)52)39-26-37(59-46(47,48)49)14-15-38(39)44(56)53-28-32-7-3-2-6-30(32)24-35(53)29-51-20-22-58-23-21-51/h2-3,6-7,9-17,19,25-27,35,55H,4-5,8,18,20-24,28-29H2,1H3/t35-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	7.4	n/a
LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD US Patent					Assay Description The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...				US Patent US9120791 (2015) BindingDB Entry DOI: 10.7270/Q21N7ZWC
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM177829 (US9120791, Example 48 | US9603854, 50) Show SMILES Cn1ccc2cc(ccc12)N(C(=O)c1cc(-c2cc(OC(F)(F)F)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1 Show InChI InChI=1S/C46H44F3N5O5/c1-50-19-17-31-25-34(11-16-41(31)50)54(33-9-12-36(55)13-10-33)45(57)40-27-43(52-18-5-4-8-42(40)52)39-26-37(59-46(47,48)49)14-15-38(39)44(56)53-28-32-7-3-2-6-30(32)24-35(53)29-51-20-22-58-23-21-51/h2-3,6-7,9-17,19,25-27,35,55H,4-5,8,18,20-24,28-29H2,1H3/t35-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD US Patent					Assay Description The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...				US Patent US9603854 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DMT
					More data for this Ligand-Target Pair