Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM50426418'   

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))	BDBM50426418 (CHEMBL2326744) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1nnc2CCN(CCn12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C43H50ClF3N8O4S3/c1-52(2)22-18-34(30-60-36-9-4-3-5-10-36)48-39-17-16-37(28-40(39)61(56,57)43(45,46)47)62(58,59)51-42-50-49-41-21-25-54(26-27-55(41)42)35-19-23-53(24-20-35)29-32-8-6-7-11-38(32)31-12-14-33(44)15-13-31/h3-17,28,34-35,48H,18-27,29-30H2,1-2H3,(H,50,51)/t34-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50426418 (CHEMBL2326744) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1nnc2CCN(CCn12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C43H50ClF3N8O4S3/c1-52(2)22-18-34(30-60-36-9-4-3-5-10-36)48-39-17-16-37(28-40(39)61(56,57)43(45,46)47)62(58,59)51-42-50-49-41-21-25-54(26-27-55(41)42)35-19-23-53(24-20-35)29-32-8-6-7-11-38(32)31-12-14-33(44)15-13-31/h3-17,28,34-35,48H,18-27,29-30H2,1-2H3,(H,50,51)/t34-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Binding affinity to Bcl-2 (unknown origin) by surface plasmon resonance analysis				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair