Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 283.3 BDBM50206969

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))	BDBM50206969 (CHEMBL3930572 | US9518055, Example 34) Show SMILES COc1cncc(c1)-c1nc2ccc(F)cn2c1C1CC1 Show InChI InChI=1S/C16H14FN3O/c1-21-13-6-11(7-18-8-13)15-16(10-2-3-10)20-9-12(17)4-5-14(20)19-15/h4-10H,2-3H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Merck USA Curated by ChEMBL					Assay Description Inhibition of human CYP11B2-CLE9 expressed in Chinese hamster V79 cells using 11-deoxycorticosterone as substrate preincubated for 1 hr followed by s...				Bioorg Med Chem Lett 27: 143-146 (2017) Article DOI: 10.1016/j.bmcl.2016.12.003 BindingDB Entry DOI: 10.7270/Q20K2BK0
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50206969 (CHEMBL3930572 | US9518055, Example 34) Show SMILES COc1cncc(c1)-c1nc2ccc(F)cn2c1C1CC1 Show InChI InChI=1S/C16H14FN3O/c1-21-13-6-11(7-18-8-13)15-16(10-2-3-10)20-9-12(17)4-5-14(20)19-15/h4-10H,2-3H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	US Patent	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme US Patent					Assay Description V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme were generated using a standard transfection protocol. V79 ...				US Patent US9518055 (2016) BindingDB Entry DOI: 10.7270/Q23B625B
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50206969 (CHEMBL3930572 | US9518055, Example 34) Show SMILES COc1cncc(c1)-c1nc2ccc(F)cn2c1C1CC1 Show InChI InChI=1S/C16H14FN3O/c1-21-13-6-11(7-18-8-13)15-16(10-2-3-10)20-9-12(17)4-5-14(20)19-15/h4-10H,2-3H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
Merck USA Curated by ChEMBL					Assay Description Inhibition of human CYP11B1-8C7 expressed in Chinese hamster V79 cells using 11-deoxycortisol as substrate preincubated for 1 hr followed by substrat...				Bioorg Med Chem Lett 27: 143-146 (2017) Article DOI: 10.1016/j.bmcl.2016.12.003 BindingDB Entry DOI: 10.7270/Q20K2BK0
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50206969 (CHEMBL3930572 | US9518055, Example 34) Show SMILES COc1cncc(c1)-c1nc2ccc(F)cn2c1C1CC1 Show InChI InChI=1S/C16H14FN3O/c1-21-13-6-11(7-18-8-13)15-16(10-2-3-10)20-9-12(17)4-5-14(20)19-15/h4-10H,2-3H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	US Patent	n/a	n/a	759	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme US Patent					Assay Description V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme were generated using a standard transfection protocol. V79 ...				US Patent US9518055 (2016) BindingDB Entry DOI: 10.7270/Q23B625B
					More data for this Ligand-Target Pair