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Patent code US9567333

Compile Data Set for Download or QSAR
Found 14 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))
BDBM286341
PNG
(4-(7-fluoro-[1,2,4] triazolo[1,5-a]pyridin-2- yl)i...)
Show SMILES Fc1ccn2nc(nc2c1)-c1cncc2ccccc12
Show InChI InChI=1S/C15H9FN4/c16-11-5-6-20-14(7-11)18-15(19-20)13-9-17-8-10-3-1-2-4-12(10)13/h1-9H
PDB

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n/an/a 22n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9567333 (2017)

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


(Homo sapiens (human))
BDBM286359
PNG
(4-(6-fluoro-[1,2,4] triazolo[1,5-a]pyridin-2- yl)i...)
Show SMILES Fc1ccc2nc(nn2c1)-c1cncc2ccccc12
Show InChI InChI=1S/C15H9FN4/c16-11-5-6-14-18-15(19-20(14)9-11)13-8-17-7-10-3-1-2-4-12(10)13/h1-9H
PDB

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n/an/a 46n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9567333 (2017)

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


(Homo sapiens (human))
BDBM286339
PNG
(4-(6,8-difluoro-[1,2,4] triazolo[1,5-a]pyridin-2- ...)
Show SMILES Fc1cc(F)c2nc(nn2c1)-c1cncc2ccccc12
Show InChI InChI=1S/C15H8F2N4/c16-10-5-13(17)15-19-14(20-21(15)8-10)12-7-18-6-9-3-1-2-4-11(9)12/h1-8H
PDB

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n/an/a 126n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9567333 (2017)

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


(Homo sapiens (human))
BDBM286329
PNG
(4-([1,2,4]triazolo[1,5- a]pyridin-2- yl)isoquinoli...)
Show SMILES c1ccn2nc(nc2c1)-c1cncc2ccccc12
Show InChI InChI=1S/C15H10N4/c1-2-6-12-11(5-1)9-16-10-13(12)15-17-14-7-3-4-8-19(14)18-15/h1-10H
PDB

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n/an/a 138n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9567333 (2017)

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


(Homo sapiens (human))
BDBM286333
PNG
(4-(8-chloro-[1,2,4] triazolo[1,5-a]pyridin-2- yl)i...)
Show SMILES Clc1cccn2nc(nc12)-c1cncc2ccccc12
Show InChI InChI=1S/C15H9ClN4/c16-13-6-3-7-20-15(13)18-14(19-20)12-9-17-8-10-4-1-2-5-11(10)12/h1-9H
PDB

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n/an/a 171n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9567333 (2017)

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


(Homo sapiens (human))
BDBM286336
PNG
(2-(5-bromopyridin-3-yl)- 5-methyl-[1,2,4] triazolo...)
Show SMILES Cc1cccc2nc(nn12)-c1cncc(Br)c1
Show InChI InChI=1S/C12H9BrN4/c1-8-3-2-4-11-15-12(16-17(8)11)9-5-10(13)7-14-6-9/h2-7H,1H3
PDB

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n/an/a 884n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9567333 (2017)

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


(Homo sapiens (human))
BDBM286334
PNG
(2-(5-(6-fluoro-[1,2,4] triazolo[1,5-a]pyridin-2- y...)
Show SMILES CC(C)(O)c1cncc(c1)-c1nc2ccc(F)cn2n1
Show InChI InChI=1S/C14H13FN4O/c1-14(2,20)10-5-9(6-16-7-10)13-17-12-4-3-11(15)8-19(12)18-13/h3-8,20H,1-2H3
PDB

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n/an/a 1.07E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9567333 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (human))
BDBM286341
PNG
(4-(7-fluoro-[1,2,4] triazolo[1,5-a]pyridin-2- yl)i...)
Show SMILES Fc1ccn2nc(nc2c1)-c1cncc2ccccc12
Show InChI InChI=1S/C15H9FN4/c16-11-5-6-20-14(7-11)18-15(19-20)13-9-17-8-10-3-1-2-4-12(10)13/h1-9H
PDB

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n/an/a 1.08E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9567333 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (human))
BDBM286359
PNG
(4-(6-fluoro-[1,2,4] triazolo[1,5-a]pyridin-2- yl)i...)
Show SMILES Fc1ccc2nc(nn2c1)-c1cncc2ccccc12
Show InChI InChI=1S/C15H9FN4/c16-11-5-6-14-18-15(19-20(14)9-11)13-8-17-7-10-3-1-2-4-12(10)13/h1-9H
PDB

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n/an/a 2.15E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9567333 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (human))
BDBM286334
PNG
(2-(5-(6-fluoro-[1,2,4] triazolo[1,5-a]pyridin-2- y...)
Show SMILES CC(C)(O)c1cncc(c1)-c1nc2ccc(F)cn2n1
Show InChI InChI=1S/C14H13FN4O/c1-14(2,20)10-5-9(6-16-7-10)13-17-12-4-3-11(15)8-19(12)18-13/h3-8,20H,1-2H3
PDB

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n/an/a>8.33E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9567333 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (human))
BDBM286339
PNG
(4-(6,8-difluoro-[1,2,4] triazolo[1,5-a]pyridin-2- ...)
Show SMILES Fc1cc(F)c2nc(nn2c1)-c1cncc2ccccc12
Show InChI InChI=1S/C15H8F2N4/c16-10-5-13(17)15-19-14(20-21(15)8-10)12-7-18-6-9-3-1-2-4-11(9)12/h1-8H
PDB

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UniProtKB/SwissProt

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UniChem
n/an/a>8.33E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9567333 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (human))
BDBM286336
PNG
(2-(5-bromopyridin-3-yl)- 5-methyl-[1,2,4] triazolo...)
Show SMILES Cc1cccc2nc(nn12)-c1cncc(Br)c1
Show InChI InChI=1S/C12H9BrN4/c1-8-3-2-4-11-15-12(16-17(8)11)9-5-10(13)7-14-6-9/h2-7H,1H3
PDB

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n/an/a>8.33E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9567333 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (human))
BDBM286329
PNG
(4-([1,2,4]triazolo[1,5- a]pyridin-2- yl)isoquinoli...)
Show SMILES c1ccn2nc(nc2c1)-c1cncc2ccccc12
Show InChI InChI=1S/C15H10N4/c1-2-6-12-11(5-1)9-16-10-13(12)15-17-14-7-3-4-8-19(14)18-15/h1-10H
PDB

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UniProtKB/SwissProt

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UniChem
n/an/a>8.33E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9567333 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (human))
BDBM286333
PNG
(4-(8-chloro-[1,2,4] triazolo[1,5-a]pyridin-2- yl)i...)
Show SMILES Clc1cccn2nc(nc12)-c1cncc2ccccc12
Show InChI InChI=1S/C15H9ClN4/c16-13-6-3-7-20-15(13)18-14(19-20)12-9-17-8-10-4-1-2-5-11(10)12/h1-9H
PDB

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UniProtKB/SwissProt

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GoogleScholar
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UniChem
n/an/a>8.33E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9567333 (2017)

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