Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 11B2, mitochondrial' and Ligand = 'BDBM336912'   

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
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM336912 (US9745289, Compound 44A | US9745289, Compound 44B) Show SMILES CS(=O)(=O)COc1cncc(c1)C1COc2c(O1)cccc2C#N Show InChI InChI=1S/C16H14N2O5S/c1-24(19,20)10-22-13-5-12(7-18-8-13)15-9-21-16-11(6-17)3-2-4-14(16)23-15/h2-5,7-8,15H,9-10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Assays are performed in 96-well format in a final volume of 60 μL/well, containing 100 mM potassium phosphate, pH 7.4, 1% (v/v) DMSO, and additi...				US Patent US9745289 (2017) BindingDB Entry DOI: 10.7270/Q2NS0X12
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM336912 (US9745289, Compound 44A | US9745289, Compound 44B) Show SMILES CS(=O)(=O)COc1cncc(c1)C1COc2c(O1)cccc2C#N Show InChI InChI=1S/C16H14N2O5S/c1-24(19,20)10-22-13-5-12(7-18-8-13)15-9-21-16-11(6-17)3-2-4-14(16)23-15/h2-5,7-8,15H,9-10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Assays are performed in 96-well format in a final volume of 60 μL/well, containing 100 mM potassium phosphate, pH 7.4, 1% (v/v) DMSO, and additi...				US Patent US9745289 (2017) BindingDB Entry DOI: 10.7270/Q2NS0X12
					More data for this Ligand-Target Pair