Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 332.7 BDBM212444

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))	BDBM212444 (US9278093, 4) Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(F)c1Cl Show InChI InChI=1S/C16H11ClF2N4/c1-8-21-22-14-3-2-9-4-10(5-12(18)16(9)23(8)14)11-6-20-7-13(19)15(11)17/h4-7H,2-3H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21.6	n/a	n/a	n/a	n/a	n/a	37
Merck Sharp & Dohme Corp.; ElexoPharm GmbH US Patent					Assay Description Compounds of the Examples 1 to 3 were assayed for V79-Human-CYP11B2 and V79-Human-CYP11B1 by modifying the protocol described in J. Steroid Biochem. ...				US Patent US9278093 (2016) BindingDB Entry DOI: 10.7270/Q2HT2N5D
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM212444 (US9278093, 4) Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(F)c1Cl Show InChI InChI=1S/C16H11ClF2N4/c1-8-21-22-14-3-2-9-4-10(5-12(18)16(9)23(8)14)11-6-20-7-13(19)15(11)17/h4-7H,2-3H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.80E+3	n/a	n/a	n/a	n/a	n/a	37
Merck Sharp & Dohme Corp.; ElexoPharm GmbH US Patent					Assay Description Compounds of the Examples 1 to 3 were assayed for V79-Human-CYP11B2 and V79-Human-CYP11B1 by modifying the protocol described in J. Steroid Biochem. ...				US Patent US9278093 (2016) BindingDB Entry DOI: 10.7270/Q2HT2N5D
					More data for this Ligand-Target Pair