Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM177789'   

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))	BDBM177789 (US9120791, Example 4 | US9120791, Example 51 | US9...) Show SMILES Cc1ccc(cc1F)N(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1 Show InChI InChI=1S/C44H43FN4O6/c1-28-9-10-32(21-38(28)45)49(31-11-13-34(50)14-12-31)44(52)37-22-40(47-15-5-4-8-39(37)47)35-23-41-42(55-27-54-41)24-36(35)43(51)48-25-30-7-3-2-6-29(30)20-33(48)26-46-16-18-53-19-17-46/h2-3,6-7,9-14,21-24,33,50H,4-5,8,15-20,25-27H2,1H3/t33-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	19	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))	BDBM177789 (US9120791, Example 4 | US9120791, Example 51 | US9...) Show SMILES Cc1ccc(cc1F)N(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1 Show InChI InChI=1S/C44H43FN4O6/c1-28-9-10-32(21-38(28)45)49(31-11-13-34(50)14-12-31)44(52)37-22-40(47-15-5-4-8-39(37)47)35-23-41-42(55-27-54-41)24-36(35)43(51)48-25-30-7-3-2-6-29(30)20-33(48)26-46-16-18-53-19-17-46/h2-3,6-7,9-14,21-24,33,50H,4-5,8,15-20,25-27H2,1H3/t33-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	19	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))	BDBM177789 (US9120791, Example 4 | US9120791, Example 51 | US9...) Show SMILES Cc1ccc(cc1F)N(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1 Show InChI InChI=1S/C44H43FN4O6/c1-28-9-10-32(21-38(28)45)49(31-11-13-34(50)14-12-31)44(52)37-22-40(47-15-5-4-8-39(37)47)35-23-41-42(55-27-54-41)24-36(35)43(51)48-25-30-7-3-2-6-29(30)20-33(48)26-46-16-18-53-19-17-46/h2-3,6-7,9-14,21-24,33,50H,4-5,8,15-20,25-27H2,1H3/t33-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	32	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))	BDBM177789 (US9120791, Example 4 | US9120791, Example 51 | US9...) Show SMILES Cc1ccc(cc1F)N(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1 Show InChI InChI=1S/C44H43FN4O6/c1-28-9-10-32(21-38(28)45)49(31-11-13-34(50)14-12-31)44(52)37-22-40(47-15-5-4-8-39(37)47)35-23-41-42(55-27-54-41)24-36(35)43(51)48-25-30-7-3-2-6-29(30)20-33(48)26-46-16-18-53-19-17-46/h2-3,6-7,9-14,21-24,33,50H,4-5,8,15-20,25-27H2,1H3/t33-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	32	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