Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 311.7 BDBM336317

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))	BDBM336317 (5-(1-acetyl-7- chloroindolin-5-yl) 4- methylnicoti...) Show SMILES CC(=O)N1CCc2cc(cc(Cl)c12)-c1cncc(C#N)c1C Show InChI InChI=1S/C17H14ClN3O/c1-10-14(7-19)8-20-9-15(10)13-5-12-3-4-21(11(2)22)17(12)16(18)6-13/h5-6,8-9H,3-4H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp; ElexoPharm GmbH 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 US9745282 (2017) BindingDB Entry DOI: 10.7270/Q25Q4Z66
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM336317 (5-(1-acetyl-7- chloroindolin-5-yl) 4- methylnicoti...) Show SMILES CC(=O)N1CCc2cc(cc(Cl)c12)-c1cncc(C#N)c1C Show InChI InChI=1S/C17H14ClN3O/c1-10-14(7-19)8-20-9-15(10)13-5-12-3-4-21(11(2)22)17(12)16(18)6-13/h5-6,8-9H,3-4H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp; ElexoPharm GmbH US Patent									US Patent US9745282 (2017) BindingDB Entry DOI: 10.7270/Q25Q4Z66
					More data for this Ligand-Target Pair