Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM356974'   

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))	BDBM356974 (4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-e...) Show SMILES CC[C@@]1(O)CC[C@H](CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1 |wU:2.2,6.6,wD:2.1,t:49,(-.21,-15.68,;-1.75,-15.68,;-2.52,-14.35,;-3.29,-15.68,;-1.18,-13.58,;-1.18,-12.04,;-2.52,-11.27,;-2.52,-9.73,;-1.18,-8.96,;-1.18,-7.42,;-2.52,-6.65,;-2.52,-5.11,;-1.18,-4.34,;.15,-5.11,;.15,-6.65,;1.48,-7.42,;2.82,-6.65,;1.48,-8.96,;-1.18,-2.8,;-2.72,-2.8,;.36,-2.8,;-1.18,-1.26,;-2.52,-.49,;-3.85,-1.26,;-2.52,1.05,;-3.85,1.82,;-3.85,3.36,;-2.52,4.13,;-1.18,3.36,;-1.18,1.82,;.15,1.05,;1.48,1.82,;1.48,3.36,;2.82,4.13,;4.15,3.36,;5.61,3.84,;6.52,2.59,;5.61,1.35,;4.15,1.82,;2.82,1.05,;-2.52,5.67,;-3.85,6.44,;-3.85,7.98,;-2.52,8.75,;-2.52,10.29,;-1.18,11.06,;-1.18,12.6,;.15,13.37,;1.48,12.6,;2.25,13.94,;3.02,12.6,;1.48,11.06,;.15,10.29,;-2.52,13.37,;-3.85,12.6,;-5.19,13.37,;-5.19,14.91,;-6.52,15.68,;-3.85,15.68,;-2.52,14.91,;-1.18,7.98,;-1.18,6.44,;-3.85,-12.04,;-3.85,-13.58,)| Show InChI InChI=1S/C48H56ClN7O7S/c1-4-48(58)18-13-32(14-19-48)29-51-42-12-10-39(27-43(42)56(59)60)64(61,62)53-46(57)40-11-9-37(26-44(40)63-38-25-34-16-20-50-45(34)52-30-38)55-23-21-54(22-24-55)31-35-15-17-47(2,3)28-41(35)33-5-7-36(49)8-6-33/h5-12,16,20,25-27,30,32,51,58H,4,13-15,17-19,21-24,28-29,31H2,1-3H3,(H,50,52)(H,53,57)/t32-,48+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM356974 (4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-e...) Show SMILES CC[C@@]1(O)CC[C@H](CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1 |wU:2.2,6.6,wD:2.1,t:49,(-.21,-15.68,;-1.75,-15.68,;-2.52,-14.35,;-3.29,-15.68,;-1.18,-13.58,;-1.18,-12.04,;-2.52,-11.27,;-2.52,-9.73,;-1.18,-8.96,;-1.18,-7.42,;-2.52,-6.65,;-2.52,-5.11,;-1.18,-4.34,;.15,-5.11,;.15,-6.65,;1.48,-7.42,;2.82,-6.65,;1.48,-8.96,;-1.18,-2.8,;-2.72,-2.8,;.36,-2.8,;-1.18,-1.26,;-2.52,-.49,;-3.85,-1.26,;-2.52,1.05,;-3.85,1.82,;-3.85,3.36,;-2.52,4.13,;-1.18,3.36,;-1.18,1.82,;.15,1.05,;1.48,1.82,;1.48,3.36,;2.82,4.13,;4.15,3.36,;5.61,3.84,;6.52,2.59,;5.61,1.35,;4.15,1.82,;2.82,1.05,;-2.52,5.67,;-3.85,6.44,;-3.85,7.98,;-2.52,8.75,;-2.52,10.29,;-1.18,11.06,;-1.18,12.6,;.15,13.37,;1.48,12.6,;2.25,13.94,;3.02,12.6,;1.48,11.06,;.15,10.29,;-2.52,13.37,;-3.85,12.6,;-5.19,13.37,;-5.19,14.91,;-6.52,15.68,;-3.85,15.68,;-2.52,14.91,;-1.18,7.98,;-1.18,6.44,;-3.85,-12.04,;-3.85,-13.58,)| Show InChI InChI=1S/C48H56ClN7O7S/c1-4-48(58)18-13-32(14-19-48)29-51-42-12-10-39(27-43(42)56(59)60)64(61,62)53-46(57)40-11-9-37(26-44(40)63-38-25-34-16-20-50-45(34)52-30-38)55-23-21-54(22-24-55)31-35-15-17-47(2,3)28-41(35)33-5-7-36(49)8-6-33/h5-12,16,20,25-27,30,32,51,58H,4,13-15,17-19,21-24,28-29,31H2,1-3H3,(H,50,52)(H,53,57)/t32-,48+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.				US Patent US10213433 (2019) BindingDB Entry DOI: 10.7270/Q23F4RZ6
					More data for this Ligand-Target Pair