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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 399.4
BDBM233853

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))
BDBM233853
PNG
(US9353081, 57)
Show SMILES CCC(=O)N[C@@H]1[C@H](F)CCc2c1cncc2-c1cc2CCC(=O)N(C)c2cc1F |r|
Show InChI InChI=1S/C22H23F2N3O2/c1-3-20(28)26-22-16-11-25-10-15(13(16)5-6-17(22)23)14-8-12-4-7-21(29)27(2)19(12)9-18(14)24/h8-11,17,22H,3-7H2,1-2H3,(H,26,28)/t17-,22+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 2.03E+4n/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))
BDBM233853
PNG
(US9353081, 57)
Show SMILES CCC(=O)N[C@@H]1[C@H](F)CCc2c1cncc2-c1cc2CCC(=O)N(C)c2cc1F |r|
Show InChI InChI=1S/C22H23F2N3O2/c1-3-20(28)26-22-16-11-25-10-15(13(16)5-6-17(22)23)14-8-12-4-7-21(29)27(2)19(12)9-18(14)24/h8-11,17,22H,3-7H2,1-2H3,(H,26,28)/t17-,22+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 884n/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