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BDBM233807 US9353081, 4::US9353081, 5::US9353081, 6

SMILES: CCS(=O)(=O)NC1CCCc2c1cncc2-c1ccc2N(C)C(=O)CCc2c1

InChI Key: InChIKey=LVDKZTHQIJVVBW-UHFFFAOYSA-N

Data: 6 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 233807   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM233807
PNG
(US9353081, 4 | US9353081, 5 | US9353081, 6)
Show SMILES CCS(=O)(=O)NC1CCCc2c1cncc2-c1ccc2N(C)C(=O)CCc2c1
Show InChI InChI=1S/C21H25N3O3S/c1-3-28(26,27)23-19-6-4-5-16-17(12-22-13-18(16)19)14-7-9-20-15(11-14)8-10-21(25)24(20)2/h7,9,11-13,19,23H,3-6,8,10H2,1-2H3
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n/an/an/an/a 97n/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 (CYP11B2)


(Homo sapiens (Human))
BDBM233807
PNG
(US9353081, 4 | US9353081, 5 | US9353081, 6)
Show SMILES CCS(=O)(=O)NC1CCCc2c1cncc2-c1ccc2N(C)C(=O)CCc2c1
Show InChI InChI=1S/C21H25N3O3S/c1-3-28(26,27)23-19-6-4-5-16-17(12-22-13-18(16)19)14-7-9-20-15(11-14)8-10-21(25)24(20)2/h7,9,11-13,19,23H,3-6,8,10H2,1-2H3
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n/an/an/an/a 1.29E+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 11B1, mitochondrial


(Homo sapiens (Human))
BDBM233807
PNG
(US9353081, 4 | US9353081, 5 | US9353081, 6)
Show SMILES CCS(=O)(=O)NC1CCCc2c1cncc2-c1ccc2N(C)C(=O)CCc2c1
Show InChI InChI=1S/C21H25N3O3S/c1-3-28(26,27)23-19-6-4-5-16-17(12-22-13-18(16)19)14-7-9-20-15(11-14)8-10-21(25)24(20)2/h7,9,11-13,19,23H,3-6,8,10H2,1-2H3
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n/an/an/an/a 1.75E+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 11B1, mitochondrial


(Homo sapiens (Human))
BDBM233807
PNG
(US9353081, 4 | US9353081, 5 | US9353081, 6)
Show SMILES CCS(=O)(=O)NC1CCCc2c1cncc2-c1ccc2N(C)C(=O)CCc2c1
Show InChI InChI=1S/C21H25N3O3S/c1-3-28(26,27)23-19-6-4-5-16-17(12-22-13-18(16)19)14-7-9-20-15(11-14)8-10-21(25)24(20)2/h7,9,11-13,19,23H,3-6,8,10H2,1-2H3
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n/an/an/an/a 4.92E+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 11B1, mitochondrial


(Homo sapiens (Human))
BDBM233807
PNG
(US9353081, 4 | US9353081, 5 | US9353081, 6)
Show SMILES CCS(=O)(=O)NC1CCCc2c1cncc2-c1ccc2N(C)C(=O)CCc2c1
Show InChI InChI=1S/C21H25N3O3S/c1-3-28(26,27)23-19-6-4-5-16-17(12-22-13-18(16)19)14-7-9-20-15(11-14)8-10-21(25)24(20)2/h7,9,11-13,19,23H,3-6,8,10H2,1-2H3
PDB

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KEGG

UniProtKB/SwissProt

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US Patent
n/an/an/an/a 1.19E+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 (CYP11B2)


(Homo sapiens (Human))
BDBM233807
PNG
(US9353081, 4 | US9353081, 5 | US9353081, 6)
Show SMILES CCS(=O)(=O)NC1CCCc2c1cncc2-c1ccc2N(C)C(=O)CCc2c1
Show InChI InChI=1S/C21H25N3O3S/c1-3-28(26,27)23-19-6-4-5-16-17(12-22-13-18(16)19)14-7-9-20-15(11-14)8-10-21(25)24(20)2/h7,9,11-13,19,23H,3-6,8,10H2,1-2H3
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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n/an/an/an/a 48n/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