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Patent code US9351973

Compile Data Set for Download or QSAR
Found 15 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


(Homo sapiens (human))
BDBM232938
PNG
(US9351973, 7)
Show SMILES Cc1c(nn2CCC(=O)Nc12)-c1cncc(C)c1
Show InChI InChI=1S/C13H14N4O/c1-8-5-10(7-14-6-8)12-9(2)13-15-11(18)3-4-17(13)16-12/h5-7H,3-4H2,1-2H3,(H,15,18)
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PC cid
PC sid
UniChem
US Patent
n/an/a 2.20n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme were generated using a standard transfection protocol. V79 ...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM232940
PNG
(US9351973, 9)
Show SMILES CCc1c(nn2CCC(=O)N(C)c12)-c1cncc(C)c1
Show InChI InChI=1S/C15H18N4O/c1-4-12-14(11-7-10(2)8-16-9-11)17-19-6-5-13(20)18(3)15(12)19/h7-9H,4-6H2,1-3H3
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 7.80n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme were generated using a standard transfection protocol. V79 ...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM232939
PNG
(US9351973, 8)
Show SMILES CN1c2c(C)c(nn2CCC1=O)-c1cncc(C)c1
Show InChI InChI=1S/C14H16N4O/c1-9-6-11(8-15-7-9)13-10(2)14-17(3)12(19)4-5-18(14)16-13/h6-8H,4-5H2,1-3H3
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US Patent
n/an/a 9.80n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme were generated using a standard transfection protocol. V79 ...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM232943
PNG
(US9351973, 13)
Show SMILES CCc1c2NC(=O)CCn2nc1-c1cncc(F)c1
Show InChI InChI=1S/C13H13FN4O/c1-2-10-12(8-5-9(14)7-15-6-8)17-18-4-3-11(19)16-13(10)18/h5-7H,2-4H2,1H3,(H,16,19)
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UniChem
US Patent
n/an/a 11.7n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme were generated using a standard transfection protocol. V79 ...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM232941
PNG
(US9351973, 10)
Show SMILES Cc1cncc(c1)-c1nn2CCC(=O)Nc2c1C1CC1
Show InChI InChI=1S/C15H16N4O/c1-9-6-11(8-16-7-9)14-13(10-2-3-10)15-17-12(20)4-5-19(15)18-14/h6-8,10H,2-5H2,1H3,(H,17,20)
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US Patent
n/an/a 13.2n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme were generated using a standard transfection protocol. V79 ...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM232942
PNG
(US9351973, 12)
Show SMILES CN1c2c(C)c(nn2CCC1=O)-c1cncc(F)c1
Show InChI InChI=1S/C13H13FN4O/c1-8-12(9-5-10(14)7-15-6-9)16-18-4-3-11(19)17(2)13(8)18/h5-7H,3-4H2,1-2H3
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UniChem
US Patent
n/an/a 19.1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme were generated using a standard transfection protocol. V79 ...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM232944
PNG
(US9351973, 15)
Show SMILES Cc1c2NC(=O)CCn2nc1-c1cncc(F)c1
Show InChI InChI=1S/C12H11FN4O/c1-7-11(8-4-9(13)6-14-5-8)16-17-3-2-10(18)15-12(7)17/h4-6H,2-3H2,1H3,(H,15,18)
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UniChem
US Patent
n/an/a 30.9n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme were generated using a standard transfection protocol. V79 ...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM232945
PNG
(US9351973, 19)
Show SMILES Fc1cncc(c1)-c1nn2CCC(=O)Nc2c1C1CC1
Show InChI InChI=1S/C14H13FN4O/c15-10-5-9(6-16-7-10)13-12(8-1-2-8)14-17-11(20)3-4-19(14)18-13/h5-8H,1-4H2,(H,17,20)
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PC cid
PC sid
UniChem
US Patent
n/an/a 102n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme were generated using a standard transfection protocol. V79 ...


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM232938
PNG
(US9351973, 7)
Show SMILES Cc1c(nn2CCC(=O)Nc12)-c1cncc(C)c1
Show InChI InChI=1S/C13H14N4O/c1-8-5-10(7-14-6-8)12-9(2)13-15-11(18)3-4-17(13)16-12/h5-7H,3-4H2,1-2H3,(H,15,18)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 282n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme were generated using a standard transfection protocol. V79 ...


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM232946
PNG
(US9351973, 26)
Show SMILES Clc1cncc(c1)-c1nn2CCC(=O)Nc2c1C#N
Show InChI InChI=1S/C12H8ClN5O/c13-8-3-7(5-15-6-8)11-9(4-14)12-16-10(19)1-2-18(12)17-11/h3,5-6H,1-2H2,(H,16,19)
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US Patent
n/an/a 1.07E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme were generated using a standard transfection protocol. V79 ...


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM232943
PNG
(US9351973, 13)
Show SMILES CCc1c2NC(=O)CCn2nc1-c1cncc(F)c1
Show InChI InChI=1S/C13H13FN4O/c1-2-10-12(8-5-9(14)7-15-6-8)17-18-4-3-11(19)16-13(10)18/h5-7H,2-4H2,1H3,(H,16,19)
PDB

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UniChem
US Patent
n/an/a 1.35E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme were generated using a standard transfection protocol. V79 ...


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM232942
PNG
(US9351973, 12)
Show SMILES CN1c2c(C)c(nn2CCC1=O)-c1cncc(F)c1
Show InChI InChI=1S/C13H13FN4O/c1-8-12(9-5-10(14)7-15-6-9)16-18-4-3-11(19)17(2)13(8)18/h5-7H,3-4H2,1-2H3
PDB

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UniChem
US Patent
n/an/a 1.82E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme were generated using a standard transfection protocol. V79 ...


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM232940
PNG
(US9351973, 9)
Show SMILES CCc1c(nn2CCC(=O)N(C)c12)-c1cncc(C)c1
Show InChI InChI=1S/C15H18N4O/c1-4-12-14(11-7-10(2)8-16-9-11)17-19-6-5-13(20)18(3)15(12)19/h7-9H,4-6H2,1-3H3
PDB

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UniChem
US Patent
n/an/a 2.34E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme were generated using a standard transfection protocol. V79 ...


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM232944
PNG
(US9351973, 15)
Show SMILES Cc1c2NC(=O)CCn2nc1-c1cncc(F)c1
Show InChI InChI=1S/C12H11FN4O/c1-7-11(8-4-9(13)6-14-5-8)16-17-3-2-10(18)15-12(7)17/h4-6H,2-3H2,1H3,(H,15,18)
PDB

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UniChem
US Patent
n/an/a 3.63E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme were generated using a standard transfection protocol. V79 ...


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM232939
PNG
(US9351973, 8)
Show SMILES CN1c2c(C)c(nn2CCC1=O)-c1cncc(C)c1
Show InChI InChI=1S/C14H16N4O/c1-9-6-11(8-15-7-9)13-10(2)14-17(3)12(19)4-5-18(14)16-13/h6-8H,4-5H2,1-3H3
PDB

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UniChem
US Patent
n/an/a 3.72E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme were generated using a standard transfection protocol. V79 ...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%