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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 416.5
BDBM351257

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))
BDBM351257
PNG
(6-[4-[(1-Ethylsulfonyl-4-piperidyl)methyl]-1H-pyra...)
Show SMILES CCS(=O)(=O)N1CCC(Cc2c[nH]nc2-c2ccc3N(C)C(=O)CCc3c2)CC1
Show InChI InChI=1S/C21H28N4O3S/c1-3-29(27,28)25-10-8-15(9-11-25)12-18-14-22-23-21(18)17-4-6-19-16(13-17)5-7-20(26)24(19)2/h4,6,13-15H,3,5,7-12H2,1-2H3,(H,22,23)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.216n/an/an/an/a



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 US9796702 (2017)


BindingDB Entry DOI: 10.7270/Q2DB840G
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM351257
PNG
(6-[4-[(1-Ethylsulfonyl-4-piperidyl)methyl]-1H-pyra...)
Show SMILES CCS(=O)(=O)N1CCC(Cc2c[nH]nc2-c2ccc3N(C)C(=O)CCc3c2)CC1
Show InChI InChI=1S/C21H28N4O3S/c1-3-29(27,28)25-10-8-15(9-11-25)12-18-14-22-23-21(18)17-4-6-19-16(13-17)5-7-20(26)24(19)2/h4,6,13-15H,3,5,7-12H2,1-2H3,(H,22,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.00500n/an/an/an/a



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 US9796702 (2017)


BindingDB Entry DOI: 10.7270/Q2DB840G
More data for this
Ligand-Target Pair