Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM177844'   

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))	BDBM177844 (US9120791, Example 63 | US9603854, 63) Show SMILES CCN1CCc2cc(ccc12)N(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2ccccc12)c1ccc(O)cc1 Show InChI InChI=1S/C47H45N5O6/c1-2-49-18-16-32-24-35(12-15-41(32)49)52(34-10-13-37(53)14-11-34)47(55)40-25-43(50-17-6-5-9-42(40)50)38-26-44-45(58-30-57-44)27-39(38)46(54)51-28-33-8-4-3-7-31(33)23-36(51)29-48-19-21-56-22-20-48/h3-15,17,24-27,36,53H,2,16,18-23,28-30H2,1H3/t36-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	21	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))	BDBM177844 (US9120791, Example 63 | US9603854, 63) Show SMILES CCN1CCc2cc(ccc12)N(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2ccccc12)c1ccc(O)cc1 Show InChI InChI=1S/C47H45N5O6/c1-2-49-18-16-32-24-35(12-15-41(32)49)52(34-10-13-37(53)14-11-34)47(55)40-25-43(50-17-6-5-9-42(40)50)38-26-44-45(58-30-57-44)27-39(38)46(54)51-28-33-8-4-3-7-31(33)23-36(51)29-48-19-21-56-22-20-48/h3-15,17,24-27,36,53H,2,16,18-23,28-30H2,1H3/t36-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	21	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