BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 392.4
BDBM233815

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

Found 2 hits in this display   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM233815
PNG
(US9353081, 13)
Show SMILES CCC(=O)NCCN1CCCc2c1cncc2-c1ccc2N(C)C(=O)CCc2c1
Show InChI InChI=1S/C23H28N4O2/c1-3-22(28)25-10-12-27-11-4-5-18-19(14-24-15-21(18)27)16-6-8-20-17(13-16)7-9-23(29)26(20)2/h6,8,13-15H,3-5,7,9-12H2,1-2H3,(H,25,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.81E+3n/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9353081 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1JT1
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM233815
PNG
(US9353081, 13)
Show SMILES CCC(=O)NCCN1CCCc2c1cncc2-c1ccc2N(C)C(=O)CCc2c1
Show InChI InChI=1S/C23H28N4O2/c1-3-22(28)25-10-12-27-11-4-5-18-19(14-24-15-21(18)27)16-6-8-20-17(13-16)7-9-23(29)26(20)2/h6,8,13-15H,3-5,7,9-12H2,1-2H3,(H,25,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 14n/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9353081 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1JT1
More data for this
Ligand-Target Pair