Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 328.7 BDBM473972

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

Found 2 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))	BDBM473972 ((R)-1-(3-Chloro-4-cyano- phenyl)-7-oxo-4,5,6,7- te...) Show SMILES CNC(=O)[C@@H]1Cc2ncn(c2C(=O)C1)-c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C16H13ClN4O2/c1-19-16(23)10-4-13-15(14(22)5-10)21(8-20-13)11-3-2-9(7-18)12(17)6-11/h2-3,6,8,10H,4-5H2,1H3,(H,19,23)/t10-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	57	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 microL/well, containing 100 mM potassium phosphate, pH 7.4, 1% (v/v) DMSO, and additio...				US Patent US10858342 (2020) BindingDB Entry DOI: 10.7270/Q2MG7SKT
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM473972 ((R)-1-(3-Chloro-4-cyano- phenyl)-7-oxo-4,5,6,7- te...) Show SMILES CNC(=O)[C@@H]1Cc2ncn(c2C(=O)C1)-c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C16H13ClN4O2/c1-19-16(23)10-4-13-15(14(22)5-10)21(8-20-13)11-3-2-9(7-18)12(17)6-11/h2-3,6,8,10H,4-5H2,1H3,(H,19,23)/t10-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>3.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Assays are performed as for aldosterone synthase except for the use of 150 units of CYP11B1, 11-deoxycortisol as substrate and cortisol measured as p...				US Patent US10858342 (2020) BindingDB Entry DOI: 10.7270/Q2MG7SKT
					More data for this Ligand-Target Pair