Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 316.3 BDBM287736

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   

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))	BDBM287736 (US10085984, Example 114 | US11040034, Ex. No. 114) Show SMILES COCc1cc(cnn1)-c1nc2cc(F)c(F)cc2n1C1CC1 Show InChI InChI=1S/C16H14F2N4O/c1-23-8-10-4-9(7-19-21-10)16-20-14-5-12(17)13(18)6-15(14)22(16)11-2-3-11/h4-7,11H,2-3,8H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...				Citation and Details BindingDB Entry DOI: 10.7270/Q2BV7KRW
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM287736 (US10085984, Example 114 | US11040034, Ex. No. 114) Show SMILES COCc1cc(cnn1)-c1nc2cc(F)c(F)cc2n1C1CC1 Show InChI InChI=1S/C16H14F2N4O/c1-23-8-10-4-9(7-19-21-10)16-20-14-5-12(17)13(18)6-15(14)22(16)11-2-3-11/h4-7,11H,2-3,8H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Viamet Pharmaceuticals (Bermuda), Ltd. US Patent					Assay Description V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...				US Patent US10085984 (2018) BindingDB Entry DOI: 10.7270/Q2542QM2
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM287736 (US10085984, Example 114 | US11040034, Ex. No. 114) Show SMILES COCc1cc(cnn1)-c1nc2cc(F)c(F)cc2n1C1CC1 Show InChI InChI=1S/C16H14F2N4O/c1-23-8-10-4-9(7-19-21-10)16-20-14-5-12(17)13(18)6-15(14)22(16)11-2-3-11/h4-7,11H,2-3,8H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Viamet Pharmaceuticals (Bermuda), Ltd. US Patent					Assay Description V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...				US Patent US10085984 (2018) BindingDB Entry DOI: 10.7270/Q2542QM2
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM287736 (US10085984, Example 114 | US11040034, Ex. No. 114) Show SMILES COCc1cc(cnn1)-c1nc2cc(F)c(F)cc2n1C1CC1 Show InChI InChI=1S/C16H14F2N4O/c1-23-8-10-4-9(7-19-21-10)16-20-14-5-12(17)13(18)6-15(14)22(16)11-2-3-11/h4-7,11H,2-3,8H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...				Citation and Details BindingDB Entry DOI: 10.7270/Q2BV7KRW
					More data for this Ligand-Target Pair