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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 11B2 (CYP11B2)' and Ligand = 'BDBM336928'   
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 (CYP11B2)


(Homo sapiens (Human))
BDBM336928
PNG
(US9745289, Compound 52AA | US9745289, Compound 52A...)
Show SMILES NC(=O)c1cccc2OC(COc12)c1cncc2C(O)CCc12
Show InChI InChI=1S/C17H16N2O4/c18-17(21)10-2-1-3-14-16(10)22-8-15(23-14)12-7-19-6-11-9(12)4-5-13(11)20/h1-3,6-7,13,15,20H,4-5,8H2,(H2,18,21)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 37n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assays are performed in 96-well format in a final volume of 60 μL/well, containing 100 mM potassium phosphate, pH 7.4, 1% (v/v) DMSO, and additi...


US Patent US9745289 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM336928
PNG
(US9745289, Compound 52AA | US9745289, Compound 52A...)
Show SMILES NC(=O)c1cccc2OC(COc12)c1cncc2C(O)CCc12
Show InChI InChI=1S/C17H16N2O4/c18-17(21)10-2-1-3-14-16(10)22-8-15(23-14)12-7-19-6-11-9(12)4-5-13(11)20/h1-3,6-7,13,15,20H,4-5,8H2,(H2,18,21)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 37n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assays are performed in 96-well format in a final volume of 60 μL/well, containing 100 mM potassium phosphate, pH 7.4, 1% (v/v) DMSO, and additi...


US Patent US9745289 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM336928
PNG
(US9745289, Compound 52AA | US9745289, Compound 52A...)
Show SMILES NC(=O)c1cccc2OC(COc12)c1cncc2C(O)CCc12
Show InChI InChI=1S/C17H16N2O4/c18-17(21)10-2-1-3-14-16(10)22-8-15(23-14)12-7-19-6-11-9(12)4-5-13(11)20/h1-3,6-7,13,15,20H,4-5,8H2,(H2,18,21)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 42n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assays are performed in 96-well format in a final volume of 60 μL/well, containing 100 mM potassium phosphate, pH 7.4, 1% (v/v) DMSO, and additi...


US Patent US9745289 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM336928
PNG
(US9745289, Compound 52AA | US9745289, Compound 52A...)
Show SMILES NC(=O)c1cccc2OC(COc12)c1cncc2C(O)CCc12
Show InChI InChI=1S/C17H16N2O4/c18-17(21)10-2-1-3-14-16(10)22-8-15(23-14)12-7-19-6-11-9(12)4-5-13(11)20/h1-3,6-7,13,15,20H,4-5,8H2,(H2,18,21)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 71n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assays are performed in 96-well format in a final volume of 60 μL/well, containing 100 mM potassium phosphate, pH 7.4, 1% (v/v) DMSO, and additi...


US Patent US9745289 (2017)

More data for this
Ligand-Target Pair