Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 272.5 BDBM50378961

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 11B1, mitochondrial (Homo sapiens (Human))	BDBM50378961 (CHEMBL2011243 | US9394290, 6) Show SMILES Clc1ncc(Cn2ccnc2)cc1Br Show InChI InChI=1S/C9H7BrClN3/c10-8-3-7(4-13-9(8)11)5-14-2-1-12-6-14/h1-4,6H,5H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	168	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector				ACS Med Chem Lett 2: 559-564 (2011) Article DOI: 10.1021/ml100283h BindingDB Entry DOI: 10.7270/Q21R6RJ2
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50378961 (CHEMBL2011243 | US9394290, 6) Show SMILES Clc1ncc(Cn2ccnc2)cc1Br Show InChI InChI=1S/C9H7BrClN3/c10-8-3-7(4-13-9(8)11)5-14-2-1-12-6-14/h1-4,6H,5H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	168	n/a	n/a	n/a	n/a	n/a	37
UNIVERSITAET DES SAARLANDES CAMPUS SAARBRUECKEN US Patent					Assay Description V79MZ cells expressing human CYP11B1 and human CYP11B2 genes, respectively, were grown on 24-well cell culture plates (8×10^5 cells per well) w...				US Patent US9394290 (2016) BindingDB Entry DOI: 10.7270/Q24T6H86
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50378961 (CHEMBL2011243 | US9394290, 6) Show SMILES Clc1ncc(Cn2ccnc2)cc1Br Show InChI InChI=1S/C9H7BrClN3/c10-8-3-7(4-13-9(8)11)5-14-2-1-12-6-14/h1-4,6H,5H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	576	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector				ACS Med Chem Lett 2: 559-564 (2011) Article DOI: 10.1021/ml100283h BindingDB Entry DOI: 10.7270/Q21R6RJ2
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50378961 (CHEMBL2011243 | US9394290, 6) Show SMILES Clc1ncc(Cn2ccnc2)cc1Br Show InChI InChI=1S/C9H7BrClN3/c10-8-3-7(4-13-9(8)11)5-14-2-1-12-6-14/h1-4,6H,5H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	576	n/a	n/a	n/a	n/a	n/a	37
UNIVERSITAET DES SAARLANDES CAMPUS SAARBRUECKEN US Patent					Assay Description V79MZ cells expressing human CYP11B1 and human CYP11B2 genes, respectively, were grown on 24-well cell culture plates (8×10^5 cells per well) w...				US Patent US9394290 (2016) BindingDB Entry DOI: 10.7270/Q24T6H86
					More data for this Ligand-Target Pair