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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 352.3
BDBM325738

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 11B2, mitochondrial


(Homo sapiens (Human))
BDBM325738
PNG
((rac)-2-[4-[3-Fluoro-4-(trifluoromethyl)phenyl]-6,...)
Show SMILES CNC(=O)CC1CCc2cncc(c12)-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C18H16F4N2O/c1-23-16(25)7-11-2-3-12-8-24-9-13(17(11)12)10-4-5-14(15(19)6-10)18(20,21)22/h4-6,8-9,11H,2-3,7H2,1H3,(H,23,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 113n/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 US9636338 (2017)


BindingDB Entry DOI: 10.7270/Q2988938
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM325738
PNG
((rac)-2-[4-[3-Fluoro-4-(trifluoromethyl)phenyl]-6,...)
Show SMILES CNC(=O)CC1CCc2cncc(c12)-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C18H16F4N2O/c1-23-16(25)7-11-2-3-12-8-24-9-13(17(11)12)10-4-5-14(15(19)6-10)18(20,21)22/h4-6,8-9,11H,2-3,7H2,1H3,(H,23,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.03E+3n/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 US9636338 (2017)


BindingDB Entry DOI: 10.7270/Q2988938
More data for this
Ligand-Target Pair