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Patent code US9518055

Compile Data Set for Download or QSAR
Found 38 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))
BDBM286224
PNG
(4-(6-fluoro-3-ethylimidazo[1,2- a]pyridin-2-yl)iso...)
Show SMILES Cc1c(nc2ccc(F)cn12)-c1cncc2ccccc12
Show InChI InChI=1S/C17H12FN3/c1-11-17(20-16-7-6-13(18)10-21(11)16)15-9-19-8-12-4-2-3-5-14(12)15/h2-10H,1H3
PDB

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n/an/a 0.100n/an/an/an/an/an/a



Merck Sharp & Dohme

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 ...


US Patent US9518055 (2016)

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


(Homo sapiens (human))
BDBM286221
PNG
(6-fluoro-3-methyl-2-(5- methoxypyridin-3- yl)imida...)
Show SMILES COc1cncc(c1)-c1nc2ccc(F)cn2c1C
Show InChI InChI=1S/C14H12FN3O/c1-9-14(10-5-12(19-2)7-16-6-10)17-13-4-3-11(15)8-18(9)13/h3-8H,1-2H3
PDB

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Merck Sharp & Dohme

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 ...


US Patent US9518055 (2016)

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


(Homo sapiens (human))
BDBM286222
PNG
(6-fluoro-3-methyl-2-(5- methylpyridin-3-yl)imidazo...)
Show SMILES Cc1c(nc2ccc(F)cn12)-c1cncc(C)c1
Show InChI InChI=1S/C14H12FN3/c1-9-5-11(7-16-6-9)14-10(2)18-8-12(15)3-4-13(18)17-14/h3-8H,1-2H3
PDB

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Merck Sharp & Dohme

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 ...


US Patent US9518055 (2016)

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


(Homo sapiens (human))
BDBM50206963
PNG
(CHEMBL3948337 | US9518055, Example 41)
Show SMILES Fc1ccc2nc(c(C3CC3)n2c1)-c1cncc2ccccc12
Show InChI InChI=1S/C19H14FN3/c20-14-7-8-17-22-18(19(12-5-6-12)23(17)11-14)16-10-21-9-13-3-1-2-4-15(13)16/h1-4,7-12H,5-6H2
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Merck Sharp & Dohme

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 ...


US Patent US9518055 (2016)

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


(Homo sapiens (human))
BDBM50206972
PNG
(CHEMBL3911595 | US9518055, Example 29)
Show SMILES Cc1cncc(c1)-c1nc2ccc(F)cn2c1C1CC1
Show InChI InChI=1S/C16H14FN3/c1-10-6-12(8-18-7-10)15-16(11-2-3-11)20-9-13(17)4-5-14(20)19-15/h4-9,11H,2-3H2,1H3
PDB

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Merck Sharp & Dohme

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 ...


US Patent US9518055 (2016)

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


(Homo sapiens (human))
BDBM286223
PNG
(6-fluoro-3-methyl-2-(4- methylpyridin-3-yl)imidazo...)
Show SMILES Cc1c(nc2ccc(F)cn12)-c1cnccc1C
Show InChI InChI=1S/C14H12FN3/c1-9-5-6-16-7-12(9)14-10(2)18-8-11(15)3-4-13(18)17-14/h3-8H,1-2H3
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n/an/a 2.20n/an/an/an/an/an/a



Merck Sharp & Dohme

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 ...


US Patent US9518055 (2016)

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


(Homo sapiens (human))
BDBM286228
PNG
(3-cyclopropyl-6-fluoro-2-(6- methylpyridin-3-yl)im...)
Show SMILES Cc1ccncc1-c1nc2ccc(F)cn2c1C1CC1
Show InChI InChI=1S/C16H14FN3/c1-10-6-7-18-8-13(10)15-16(11-2-3-11)20-9-12(17)4-5-14(20)19-15/h4-9,11H,2-3H2,1H3
PDB

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Merck Sharp & Dohme

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 ...


US Patent US9518055 (2016)

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


(Homo sapiens (human))
BDBM286218
PNG
(8-methyl-2-(6-methylpyridin-3- yl)-3-methylimidazo...)
Show SMILES Cc1c(nc2c(C)cccn12)-c1cnccc1C
Show InChI InChI=1S/C15H15N3/c1-10-6-7-16-9-13(10)14-12(3)18-8-4-5-11(2)15(18)17-14/h4-9H,1-3H3
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Merck Sharp & Dohme

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 ...


US Patent US9518055 (2016)

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


(Homo sapiens (human))
BDBM50206969
PNG
(CHEMBL3930572 | US9518055, Example 34)
Show SMILES COc1cncc(c1)-c1nc2ccc(F)cn2c1C1CC1
Show InChI InChI=1S/C16H14FN3O/c1-21-13-6-11(7-18-8-13)15-16(10-2-3-10)20-9-12(17)4-5-14(20)19-15/h4-10H,2-3H2,1H3
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Merck Sharp & Dohme

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 ...


US Patent US9518055 (2016)

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


(Homo sapiens (human))
BDBM286225
PNG
(7-fluoro-2-(5-fluoropyridin-3- yl)-3-methylimidazo...)
Show SMILES Cc1c(nc2cc(F)ccn12)-c1cncc(F)c1
Show InChI InChI=1S/C13H9F2N3/c1-8-13(9-4-11(15)7-16-6-9)17-12-5-10(14)2-3-18(8)12/h2-7H,1H3
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Merck Sharp & Dohme

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 ...


US Patent US9518055 (2016)

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


(Homo sapiens (human))
BDBM286237
PNG
(2-(5-(3-cyclopropyl-6- fluoroimidazo[1,2-a]pyridin...)
Show SMILES CC(O)(c1cncc(c1)-c1nc2ccc(F)cn2c1C1CC1)C(F)(F)F
Show InChI InChI=1S/C18H15F4N3O/c1-17(26,18(20,21)22)12-6-11(7-23-8-12)15-16(10-2-3-10)25-9-13(19)4-5-14(25)24-15/h4-10,26H,2-3H2,1H3
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Merck Sharp & Dohme

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 ...


US Patent US9518055 (2016)

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


(Homo sapiens (human))
BDBM50206957
PNG
(CHEMBL3902584 | US9518055, Example 35)
Show SMILES Fc1ccc2nc(c(C3CC3)n2c1)-c1cncc(c1)C(F)(F)F
Show InChI InChI=1S/C16H11F4N3/c17-12-3-4-13-22-14(15(9-1-2-9)23(13)8-12)10-5-11(7-21-6-10)16(18,19)20/h3-9H,1-2H2
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Merck Sharp & Dohme

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 ...


US Patent US9518055 (2016)

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


(Homo sapiens (human))
BDBM286216
PNG
(6-methyl-2-(6-methylpyridin-3- yl)-3-methylimidazo...)
Show SMILES Cc1c(nc2ccc(C)cn12)-c1cnccc1C
Show InChI InChI=1S/C15H15N3/c1-10-4-5-14-17-15(12(3)18(14)9-10)13-8-16-7-6-11(13)2/h4-9H,1-3H3
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Merck Sharp & Dohme

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 ...


US Patent US9518055 (2016)

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


(Homo sapiens (human))
BDBM50206961
PNG
(CHEMBL3893614 | US9518055, Example 31)
Show SMILES Fc1ccc2nc(c(C3CC3)n2c1)-c1cncc(F)c1
Show InChI InChI=1S/C15H11F2N3/c16-11-3-4-13-19-14(10-5-12(17)7-18-6-10)15(9-1-2-9)20(13)8-11/h3-9H,1-2H2
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Merck Sharp & Dohme

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 ...


US Patent US9518055 (2016)

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


(Homo sapiens (human))
BDBM286240
PNG
(4-(3-cyclopropyl-8- fluoroimidazo[1,2-a]pyridin-2-...)
Show SMILES Fc1cccn2c(C3CC3)c(nc12)-c1cncc2ccccc12
Show InChI InChI=1S/C19H14FN3/c20-16-6-3-9-23-18(12-7-8-12)17(22-19(16)23)15-11-21-10-13-4-1-2-5-14(13)15/h1-6,9-12H,7-8H2
PDB

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Merck Sharp & Dohme

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 ...


US Patent US9518055 (2016)

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


(Homo sapiens (human))
BDBM286224
PNG
(4-(6-fluoro-3-ethylimidazo[1,2- a]pyridin-2-yl)iso...)
Show SMILES Cc1c(nc2ccc(F)cn12)-c1cncc2ccccc12
Show InChI InChI=1S/C17H12FN3/c1-11-17(20-16-7-6-13(18)10-21(11)16)15-9-19-8-12-4-2-3-5-14(12)15/h2-10H,1H3
PDB

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Merck Sharp & Dohme

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 ...


US Patent US9518055 (2016)

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


(Homo sapiens (human))
BDBM286211
PNG
(6-fluoro-2-(4-methylpyridin-3- yl)imidazo[1,2-a]py...)
Show SMILES Cc1ccncc1-c1cn2cc(F)ccc2n1
Show InChI InChI=1S/C13H10FN3/c1-9-4-5-15-6-11(9)12-8-17-7-10(14)2-3-13(17)16-12/h2-8H,1H3
PDB

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Merck Sharp & Dohme

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 ...


US Patent US9518055 (2016)

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


(Homo sapiens (human))
BDBM286226
PNG
(3-cyclopropyl-6-fluoro-2- (pyridin-3-yl)imidazo[1,...)
Show SMILES Fc1ccc2nc(c(C3CC3)n2c1)-c1cccnc1
Show InChI InChI=1S/C15H12FN3/c16-12-5-6-13-18-14(11-2-1-7-17-8-11)15(10-3-4-10)19(13)9-12/h1-2,5-10H,3-4H2
PDB

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Merck Sharp & Dohme

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 ...


US Patent US9518055 (2016)

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


(Homo sapiens (human))
BDBM286221
PNG
(6-fluoro-3-methyl-2-(5- methoxypyridin-3- yl)imida...)
Show SMILES COc1cncc(c1)-c1nc2ccc(F)cn2c1C
Show InChI InChI=1S/C14H12FN3O/c1-9-14(10-5-12(19-2)7-16-6-10)17-13-4-3-11(15)8-18(9)13/h3-8H,1-2H3
PDB

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Merck Sharp & Dohme

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 ...


US Patent US9518055 (2016)

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


(Homo sapiens (human))
BDBM286222
PNG
(6-fluoro-3-methyl-2-(5- methylpyridin-3-yl)imidazo...)
Show SMILES Cc1c(nc2ccc(F)cn12)-c1cncc(C)c1
Show InChI InChI=1S/C14H12FN3/c1-9-5-11(7-16-6-9)14-10(2)18-8-12(15)3-4-13(18)17-14/h3-8H,1-2H3
PDB

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Merck Sharp & Dohme

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 ...


US Patent US9518055 (2016)

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


(Homo sapiens (human))
BDBM286214
PNG
(6-fluoro-2-(5-methylpyridin-3- yl)imidazo[1,2-a]py...)
Show SMILES Cc1cncc(c1)-c1cn2cc(F)ccc2n1
Show InChI InChI=1S/C13H10FN3/c1-9-4-10(6-15-5-9)12-8-17-7-11(14)2-3-13(17)16-12/h2-8H,1H3
PDB

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Merck Sharp & Dohme

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 ...


US Patent US9518055 (2016)

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


(Homo sapiens (human))
BDBM50206963
PNG
(CHEMBL3948337 | US9518055, Example 41)
Show SMILES Fc1ccc2nc(c(C3CC3)n2c1)-c1cncc2ccccc12
Show InChI InChI=1S/C19H14FN3/c20-14-7-8-17-22-18(19(12-5-6-12)23(17)11-14)16-10-21-9-13-3-1-2-4-15(13)16/h1-4,7-12H,5-6H2
PDB

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Merck Sharp & Dohme

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 ...


US Patent US9518055 (2016)

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


(Homo sapiens (human))
BDBM286214
PNG
(6-fluoro-2-(5-methylpyridin-3- yl)imidazo[1,2-a]py...)
Show SMILES Cc1cncc(c1)-c1cn2cc(F)ccc2n1
Show InChI InChI=1S/C13H10FN3/c1-9-4-10(6-15-5-9)12-8-17-7-11(14)2-3-13(17)16-12/h2-8H,1H3
PDB

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n/an/a 60n/an/an/an/an/an/a



Merck Sharp & Dohme

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 ...


US Patent US9518055 (2016)

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


(Homo sapiens (human))
BDBM286211
PNG
(6-fluoro-2-(4-methylpyridin-3- yl)imidazo[1,2-a]py...)
Show SMILES Cc1ccncc1-c1cn2cc(F)ccc2n1
Show InChI InChI=1S/C13H10FN3/c1-9-4-5-15-6-11(9)12-8-17-7-10(14)2-3-13(17)16-12/h2-8H,1H3
PDB

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n/an/a 63n/an/an/an/an/an/a



Merck Sharp & Dohme

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 ...


US Patent US9518055 (2016)

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


(Homo sapiens (human))
BDBM50206961
PNG
(CHEMBL3893614 | US9518055, Example 31)
Show SMILES Fc1ccc2nc(c(C3CC3)n2c1)-c1cncc(F)c1
Show InChI InChI=1S/C15H11F2N3/c16-11-3-4-13-19-14(10-5-12(17)7-18-6-10)15(9-1-2-9)20(13)8-11/h3-9H,1-2H2
PDB

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n/an/a 67n/an/an/an/an/an/a



Merck Sharp & Dohme

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 ...


US Patent US9518055 (2016)

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


(Homo sapiens (human))
BDBM286219
PNG
(7-methyl-2-(6-methylpyridin-3- yl)-3-methylimidazo...)
Show SMILES Cc1c(nc2cc(C)ccn12)-c1cnccc1C
Show InChI InChI=1S/C15H15N3/c1-10-5-7-18-12(3)15(17-14(18)8-10)13-9-16-6-4-11(13)2/h4-9H,1-3H3
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n/an/a 68n/an/an/an/an/an/a



Merck Sharp & Dohme

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 ...


US Patent US9518055 (2016)

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


(Homo sapiens (human))
BDBM286226
PNG
(3-cyclopropyl-6-fluoro-2- (pyridin-3-yl)imidazo[1,...)
Show SMILES Fc1ccc2nc(c(C3CC3)n2c1)-c1cccnc1
Show InChI InChI=1S/C15H12FN3/c16-12-5-6-13-18-14(11-2-1-7-17-8-11)15(10-3-4-10)19(13)9-12/h1-2,5-10H,3-4H2
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n/an/a 76n/an/an/an/an/an/a



Merck Sharp & Dohme

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 ...


US Patent US9518055 (2016)

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


(Homo sapiens (human))
BDBM286223
PNG
(6-fluoro-3-methyl-2-(4- methylpyridin-3-yl)imidazo...)
Show SMILES Cc1c(nc2ccc(F)cn12)-c1cnccc1C
Show InChI InChI=1S/C14H12FN3/c1-9-5-6-16-7-12(9)14-10(2)18-8-11(15)3-4-13(18)17-14/h3-8H,1-2H3
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n/an/a 135n/an/an/an/an/an/a



Merck Sharp & Dohme

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 ...


US Patent US9518055 (2016)

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


(Homo sapiens (human))
BDBM286219
PNG
(7-methyl-2-(6-methylpyridin-3- yl)-3-methylimidazo...)
Show SMILES Cc1c(nc2cc(C)ccn12)-c1cnccc1C
Show InChI InChI=1S/C15H15N3/c1-10-5-7-18-12(3)15(17-14(18)8-10)13-9-16-6-4-11(13)2/h4-9H,1-3H3
PDB

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n/an/a 204n/an/an/an/an/an/a



Merck Sharp & Dohme

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 ...


US Patent US9518055 (2016)

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


(Homo sapiens (human))
BDBM50206972
PNG
(CHEMBL3911595 | US9518055, Example 29)
Show SMILES Cc1cncc(c1)-c1nc2ccc(F)cn2c1C1CC1
Show InChI InChI=1S/C16H14FN3/c1-10-6-12(8-18-7-10)15-16(11-2-3-11)20-9-13(17)4-5-14(20)19-15/h4-9,11H,2-3H2,1H3
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n/an/a 589n/an/an/an/an/an/a



Merck Sharp & Dohme

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 ...


US Patent US9518055 (2016)

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


(Homo sapiens (human))
BDBM286218
PNG
(8-methyl-2-(6-methylpyridin-3- yl)-3-methylimidazo...)
Show SMILES Cc1c(nc2c(C)cccn12)-c1cnccc1C
Show InChI InChI=1S/C15H15N3/c1-10-6-7-16-9-13(10)14-12(3)18-8-4-5-11(2)15(18)17-14/h4-9H,1-3H3
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n/an/a 646n/an/an/an/an/an/a



Merck Sharp & Dohme

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 ...


US Patent US9518055 (2016)

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


(Homo sapiens (human))
BDBM50206969
PNG
(CHEMBL3930572 | US9518055, Example 34)
Show SMILES COc1cncc(c1)-c1nc2ccc(F)cn2c1C1CC1
Show InChI InChI=1S/C16H14FN3O/c1-21-13-6-11(7-18-8-13)15-16(10-2-3-10)20-9-12(17)4-5-14(20)19-15/h4-10H,2-3H2,1H3
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n/an/a 759n/an/an/an/an/an/a



Merck Sharp & Dohme

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 ...


US Patent US9518055 (2016)

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


(Homo sapiens (human))
BDBM286225
PNG
(7-fluoro-2-(5-fluoropyridin-3- yl)-3-methylimidazo...)
Show SMILES Cc1c(nc2cc(F)ccn12)-c1cncc(F)c1
Show InChI InChI=1S/C13H9F2N3/c1-8-13(9-4-11(15)7-16-6-9)17-12-5-10(14)2-3-18(8)12/h2-7H,1H3
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Merck Sharp & Dohme

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 ...


US Patent US9518055 (2016)

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


(Homo sapiens (human))
BDBM50206957
PNG
(CHEMBL3902584 | US9518055, Example 35)
Show SMILES Fc1ccc2nc(c(C3CC3)n2c1)-c1cncc(c1)C(F)(F)F
Show InChI InChI=1S/C16H11F4N3/c17-12-3-4-13-22-14(15(9-1-2-9)23(13)8-12)10-5-11(7-21-6-10)16(18,19)20/h3-9H,1-2H2
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n/an/a 1.02E+3n/an/an/an/an/an/a



Merck Sharp & Dohme

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 ...


US Patent US9518055 (2016)

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


(Homo sapiens (human))
BDBM286228
PNG
(3-cyclopropyl-6-fluoro-2-(6- methylpyridin-3-yl)im...)
Show SMILES Cc1ccncc1-c1nc2ccc(F)cn2c1C1CC1
Show InChI InChI=1S/C16H14FN3/c1-10-6-7-18-8-13(10)15-16(11-2-3-11)20-9-12(17)4-5-14(20)19-15/h4-9,11H,2-3H2,1H3
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n/an/a 1.07E+3n/an/an/an/an/an/a



Merck Sharp & Dohme

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 ...


US Patent US9518055 (2016)

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


(Homo sapiens (human))
BDBM286237
PNG
(2-(5-(3-cyclopropyl-6- fluoroimidazo[1,2-a]pyridin...)
Show SMILES CC(O)(c1cncc(c1)-c1nc2ccc(F)cn2c1C1CC1)C(F)(F)F
Show InChI InChI=1S/C18H15F4N3O/c1-17(26,18(20,21)22)12-6-11(7-23-8-12)15-16(10-2-3-10)25-9-13(19)4-5-14(25)24-15/h4-10,26H,2-3H2,1H3
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n/an/a 1.12E+3n/an/an/an/an/an/a



Merck Sharp & Dohme

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 ...


US Patent US9518055 (2016)

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


(Homo sapiens (human))
BDBM286240
PNG
(4-(3-cyclopropyl-8- fluoroimidazo[1,2-a]pyridin-2-...)
Show SMILES Fc1cccn2c(C3CC3)c(nc12)-c1cncc2ccccc12
Show InChI InChI=1S/C19H14FN3/c20-16-6-3-9-23-18(12-7-8-12)17(22-19(16)23)15-11-21-10-13-4-1-2-5-14(13)15/h1-6,9-12H,7-8H2
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n/an/a 2.19E+3n/an/an/an/an/an/a



Merck Sharp & Dohme

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 ...


US Patent US9518055 (2016)

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


(Homo sapiens (human))
BDBM286216
PNG
(6-methyl-2-(6-methylpyridin-3- yl)-3-methylimidazo...)
Show SMILES Cc1c(nc2ccc(C)cn12)-c1cnccc1C
Show InChI InChI=1S/C15H15N3/c1-10-4-5-14-17-15(12(3)18(14)9-10)13-8-16-7-6-11(13)2/h4-9H,1-3H3
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n/an/a 2.40E+3n/an/an/an/an/an/a



Merck Sharp & Dohme

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 ...


US Patent US9518055 (2016)

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