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Patent code US9278093

Compile Data Set for Download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
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))
BDBM50078618
PNG
(CHEMBL3415173 | US9278093, 2)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(F)c1C
Show InChI InChI=1S/C17H14F2N4/c1-9-13(7-20-8-15(9)19)12-5-11-3-4-16-22-21-10(2)23(16)17(11)14(18)6-12/h5-8H,3-4H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 6n/an/an/an/an/a37



Merck Sharp & Dohme Corp.; ElexoPharm GmbH

US Patent


Assay Description
Compounds of the Examples 1 to 3 were assayed for V79-Human-CYP11B2 and V79-Human-CYP11B1 by modifying the protocol described in J. Steroid Biochem. ...


US Patent US9278093 (2016)


BindingDB Entry DOI: 10.7270/Q2HT2N5D
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM212442
PNG
(US9278093, 1)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(F)c1C1CC1
Show InChI InChI=1S/C19H16F2N4/c1-10-23-24-17-5-4-12-6-13(7-15(20)19(12)25(10)17)14-8-22-9-16(21)18(14)11-2-3-11/h6-9,11H,2-5H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.30n/an/an/an/an/a37



Merck Sharp & Dohme Corp.; ElexoPharm GmbH

US Patent


Assay Description
Compounds of the Examples 1 to 3 were assayed for V79-Human-CYP11B2 and V79-Human-CYP11B1 by modifying the protocol described in J. Steroid Biochem. ...


US Patent US9278093 (2016)


BindingDB Entry DOI: 10.7270/Q2HT2N5D
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM212443
PNG
(US9278093, 3)
Show SMILES CC(C)c1c(F)cncc1-c1cc(F)c-2c(CCc3nnc(C)n-23)c1
Show InChI InChI=1S/C19H18F2N4/c1-10(2)18-14(8-22-9-16(18)21)13-6-12-4-5-17-24-23-11(3)25(17)19(12)15(20)7-13/h6-10H,4-5H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 9.5n/an/an/an/an/a37



Merck Sharp & Dohme Corp.; ElexoPharm GmbH

US Patent


Assay Description
Compounds of the Examples 1 to 3 were assayed for V79-Human-CYP11B2 and V79-Human-CYP11B1 by modifying the protocol described in J. Steroid Biochem. ...


US Patent US9278093 (2016)


BindingDB Entry DOI: 10.7270/Q2HT2N5D
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM212444
PNG
(US9278093, 4)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(F)c1Cl
Show InChI InChI=1S/C16H11ClF2N4/c1-8-21-22-14-3-2-9-4-10(5-12(18)16(9)23(8)14)11-6-20-7-13(19)15(11)17/h4-7H,2-3H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 21.6n/an/an/an/an/a37



Merck Sharp & Dohme Corp.; ElexoPharm GmbH

US Patent


Assay Description
Compounds of the Examples 1 to 3 were assayed for V79-Human-CYP11B2 and V79-Human-CYP11B1 by modifying the protocol described in J. Steroid Biochem. ...


US Patent US9278093 (2016)


BindingDB Entry DOI: 10.7270/Q2HT2N5D
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50078618
PNG
(CHEMBL3415173 | US9278093, 2)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(F)c1C
Show InChI InChI=1S/C17H14F2N4/c1-9-13(7-20-8-15(9)19)12-5-11-3-4-16-22-21-10(2)23(16)17(11)14(18)6-12/h5-8H,3-4H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.42E+3n/an/an/an/an/a37



Merck Sharp & Dohme Corp.; ElexoPharm GmbH

US Patent


Assay Description
Compounds of the Examples 1 to 3 were assayed for V79-Human-CYP11B2 and V79-Human-CYP11B1 by modifying the protocol described in J. Steroid Biochem. ...


US Patent US9278093 (2016)


BindingDB Entry DOI: 10.7270/Q2HT2N5D
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM212442
PNG
(US9278093, 1)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(F)c1C1CC1
Show InChI InChI=1S/C19H16F2N4/c1-10-23-24-17-5-4-12-6-13(7-15(20)19(12)25(10)17)14-8-22-9-16(21)18(14)11-2-3-11/h6-9,11H,2-5H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.29E+3n/an/an/an/an/a37



Merck Sharp & Dohme Corp.; ElexoPharm GmbH

US Patent


Assay Description
Compounds of the Examples 1 to 3 were assayed for V79-Human-CYP11B2 and V79-Human-CYP11B1 by modifying the protocol described in J. Steroid Biochem. ...


US Patent US9278093 (2016)


BindingDB Entry DOI: 10.7270/Q2HT2N5D
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM212443
PNG
(US9278093, 3)
Show SMILES CC(C)c1c(F)cncc1-c1cc(F)c-2c(CCc3nnc(C)n-23)c1
Show InChI InChI=1S/C19H18F2N4/c1-10(2)18-14(8-22-9-16(18)21)13-6-12-4-5-17-24-23-11(3)25(17)19(12)15(20)7-13/h6-10H,4-5H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.97E+3n/an/an/an/an/a37



Merck Sharp & Dohme Corp.; ElexoPharm GmbH

US Patent


Assay Description
Compounds of the Examples 1 to 3 were assayed for V79-Human-CYP11B2 and V79-Human-CYP11B1 by modifying the protocol described in J. Steroid Biochem. ...


US Patent US9278093 (2016)


BindingDB Entry DOI: 10.7270/Q2HT2N5D
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM212444
PNG
(US9278093, 4)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(F)c1Cl
Show InChI InChI=1S/C16H11ClF2N4/c1-8-21-22-14-3-2-9-4-10(5-12(18)16(9)23(8)14)11-6-20-7-13(19)15(11)17/h4-7H,2-3H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 9.80E+3n/an/an/an/an/a37



Merck Sharp & Dohme Corp.; ElexoPharm GmbH

US Patent


Assay Description
Compounds of the Examples 1 to 3 were assayed for V79-Human-CYP11B2 and V79-Human-CYP11B1 by modifying the protocol described in J. Steroid Biochem. ...


US Patent US9278093 (2016)


BindingDB Entry DOI: 10.7270/Q2HT2N5D
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%