Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 246.6 BDBM50541754Purchase

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))	BDBM50541754 (CHEMBL4648602) Show SMILES Cc1cc(Cl)ccc1C(=O)Nc1cccnc1 Show InChI InChI=1S/C13H11ClN2O/c1-9-7-10(14)4-5-12(9)13(17)16-11-3-2-6-15-8-11/h2-8H,1H3,(H,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	277	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycorticosterone as substrate by HTRF assay				J Med Chem 63: 6876-6897 (2020) Article DOI: 10.1021/acs.jmedchem.0c00233 BindingDB Entry DOI: 10.7270/Q2H998RZ
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50541754 (CHEMBL4648602) Show SMILES Cc1cc(Cl)ccc1C(=O)Nc1cccnc1 Show InChI InChI=1S/C13H11ClN2O/c1-9-7-10(14)4-5-12(9)13(17)16-11-3-2-6-15-8-11/h2-8H,1H3,(H,16,17)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human CYP11B1 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycortisol as substrate by HTRF assay				J Med Chem 63: 6876-6897 (2020) Article DOI: 10.1021/acs.jmedchem.0c00233 BindingDB Entry DOI: 10.7270/Q2H998RZ
					More data for this Ligand-Target Pair