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Patent code US9745282

Compile Data Set for Download or QSAR
Found 100 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 (CYP11B2)


(Homo sapiens (Human))
BDBM336520
PNG
(1-(7-fluoro-5-(4- methylpyridin-3- yl)indolin-1-yl...)
Show SMILES CC(=O)N1CCc2cc(cc(F)c12)-c1cnccc1C
Show InChI InChI=1S/C16H15FN2O/c1-10-3-5-18-9-14(10)13-7-12-4-6-19(11(2)20)16(12)15(17)8-13/h3,5,7-9H,4,6H2,1-2H3
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US Patent
n/an/a 0.200n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

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 US9745282 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50019871
PNG
(CHEMBL3287192 | US9745282, 51)
Show SMILES CC(=O)n1ccc2cc(ccc12)-c1cncc2ccccc12
Show InChI InChI=1S/C19H14N2O/c1-13(22)21-9-8-15-10-14(6-7-19(15)21)18-12-20-11-16-4-2-3-5-17(16)18/h2-12H,1H3
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n/an/a 0.600n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

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 US9745282 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM336320
PNG
(1-(7-chloro-5- (isoquinolin-4-yl) indolin-1- yl)et...)
Show SMILES CC(=O)N1CCc2cc(cc(Cl)c12)-c1cncc2ccccc12
Show InChI InChI=1S/C19H15ClN2O/c1-12(23)22-7-6-13-8-15(9-18(20)19(13)22)17-11-21-10-14-4-2-3-5-16(14)17/h2-5,8-11H,6-7H2,1H3
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n/an/a 0.700n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

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 US9745282 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50019886
PNG
(CHEMBL3287178 | US9745282, 28)
Show SMILES CC(=O)N1CCc2cc(ccc12)-c1cncc2ccccc12
Show InChI InChI=1S/C19H16N2O/c1-13(22)21-9-8-15-10-14(6-7-19(15)21)18-12-20-11-16-4-2-3-5-17(16)18/h2-7,10-12H,8-9H2,1H3
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n/an/a 0.700n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

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 US9745282 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM336516
PNG
((R)-1-(7-fluoro-5-(5- (1,1,1-trifluoro-2- hydroxyp...)
Show SMILES CC(=O)N1CCc2cc(cc(F)c12)-c1cncc(c1)C(C)(O)C(F)(F)F
Show InChI InChI=1S/C18H16F4N2O2/c1-10(25)24-4-3-11-5-12(7-15(19)16(11)24)13-6-14(9-23-8-13)17(2,26)18(20,21)22/h5-9,26H,3-4H2,1-2H3
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n/an/a 0.800n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

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 US9745282 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM336351
PNG
(1-(7-fluoro-5-(5- fluoro-4- methylpyridine-3- yl)i...)
Show SMILES CC(=O)N1CCc2cc(cc(F)c12)-c1cncc(F)c1C
Show InChI InChI=1S/C16H14F2N2O/c1-9-13(7-19-8-15(9)18)12-5-11-3-4-20(10(2)21)16(11)14(17)6-12/h5-8H,3-4H2,1-2H3
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Merck Sharp & Dohme Corp; ElexoPharm GmbH

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 US9745282 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM336322
PNG
((S)-1-(7-chloro-5-(5- (1,1,1,-trifluoro-2- hydroxy...)
Show SMILES CC(=O)N1CCc2cc(cc(Cl)c12)-c1cncc(c1)C(C)(O)C(F)(F)F
Show InChI InChI=1S/C18H16ClF3N2O2/c1-10(25)24-4-3-11-5-12(7-15(19)16(11)24)13-6-14(9-23-8-13)17(2,26)18(20,21)22/h5-9,26H,3-4H2,1-2H3
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n/an/a 1.20n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

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 US9745282 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM336331
PNG
(1-(7-chloro-5-(5- fluoro-4- methylpyridin-3- yl)in...)
Show SMILES CC(=O)N1CCc2cc(cc(Cl)c12)-c1cncc(F)c1C
Show InChI InChI=1S/C16H14ClFN2O/c1-9-13(7-19-8-15(9)18)12-5-11-3-4-20(10(2)21)16(11)14(17)6-12/h5-8H,3-4H2,1-2H3
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Merck Sharp & Dohme Corp; ElexoPharm GmbH

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 US9745282 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM336515
PNG
(1-(5-(4-ethyl-5- fluoropyridine-3-yl)- 7-fluoroind...)
Show SMILES CCc1c(F)cncc1-c1cc2CCN(C(C)=O)c2c(F)c1
Show InChI InChI=1S/C17H16F2N2O/c1-3-13-14(8-20-9-16(13)19)12-6-11-4-5-21(10(2)22)17(11)15(18)7-12/h6-9H,3-5H2,1-2H3
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Merck Sharp & Dohme Corp; ElexoPharm GmbH

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 US9745282 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM336516
PNG
((R)-1-(7-fluoro-5-(5- (1,1,1-trifluoro-2- hydroxyp...)
Show SMILES CC(=O)N1CCc2cc(cc(F)c12)-c1cncc(c1)C(C)(O)C(F)(F)F
Show InChI InChI=1S/C18H16F4N2O2/c1-10(25)24-4-3-11-5-12(7-15(19)16(11)24)13-6-14(9-23-8-13)17(2,26)18(20,21)22/h5-9,26H,3-4H2,1-2H3
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n/an/a 2.10n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

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 US9745282 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50019867
PNG
(CHEMBL3287188 | US9745282, 58)
Show SMILES CC(=O)N1CCc2cc(ccc12)-c1cnccc1C
Show InChI InChI=1S/C16H16N2O/c1-11-5-7-17-10-15(11)13-3-4-16-14(9-13)6-8-18(16)12(2)19/h3-5,7,9-10H,6,8H2,1-2H3
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n/an/a 2.20n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

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 US9745282 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM336330
PNG
(1-(7-chloro-5-(4- ethyl-5- fluoropyridin-3- yl)ind...)
Show SMILES CCc1c(F)cncc1-c1cc2CCN(C(C)=O)c2c(Cl)c1
Show InChI InChI=1S/C17H16ClFN2O/c1-3-13-14(8-20-9-16(13)19)12-6-11-4-5-21(10(2)22)17(11)15(18)7-12/h6-9H,3-5H2,1-2H3
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n/an/a 2.30n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

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 US9745282 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM336322
PNG
((S)-1-(7-chloro-5-(5- (1,1,1,-trifluoro-2- hydroxy...)
Show SMILES CC(=O)N1CCc2cc(cc(Cl)c12)-c1cncc(c1)C(C)(O)C(F)(F)F
Show InChI InChI=1S/C18H16ClF3N2O2/c1-10(25)24-4-3-11-5-12(7-15(19)16(11)24)13-6-14(9-23-8-13)17(2,26)18(20,21)22/h5-9,26H,3-4H2,1-2H3
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n/an/a 2.40n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

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 US9745282 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50019887
PNG
(CHEMBL3287179 | US9745282, 29)
Show SMILES CCC(=O)N1CCc2cc(ccc12)-c1cncc2ccccc12
Show InChI InChI=1S/C20H18N2O/c1-2-20(23)22-10-9-15-11-14(7-8-19(15)22)18-13-21-12-16-5-3-4-6-17(16)18/h3-8,11-13H,2,9-10H2,1H3
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n/an/a 2.80n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

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 US9745282 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50019895
PNG
(CHEMBL3287187 | US9745282, 57)
Show SMILES CC(=O)N1CCc2cc(ccc12)-c1cncc(c1)-c1ccccc1
Show InChI InChI=1S/C21H18N2O/c1-15(24)23-10-9-18-11-17(7-8-21(18)23)20-12-19(13-22-14-20)16-5-3-2-4-6-16/h2-8,11-14H,9-10H2,1H3
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Merck Sharp & Dohme Corp; ElexoPharm GmbH

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 US9745282 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM336267
PNG
(1-(7-chloro-5-(5- methoxypyridin-3- yl)indolin-1- ...)
Show SMILES COc1cncc(c1)-c1cc2CCN(C(C)=O)c2c(Cl)c1
Show InChI InChI=1S/C16H15ClN2O2/c1-10(20)19-4-3-11-5-12(7-15(17)16(11)19)13-6-14(21-2)9-18-8-13/h5-9H,3-4H2,1-2H3
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n/an/a 4.10n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

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 US9745282 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM336332
PNG
(1-(7-fluoro-5- (pyridine-3-yl) indolin-1-yl) ethan...)
Show SMILES CC(=O)N1CCc2cc(cc(F)c12)-c1cccnc1
Show InChI InChI=1S/C15H13FN2O/c1-10(19)18-6-4-11-7-13(8-14(16)15(11)18)12-3-2-5-17-9-12/h2-3,5,7-9H,4,6H2,1H3
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US Patent
n/an/a 4.90n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

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 US9745282 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM336313
PNG
(1-(7-chloro-5-(4- (trifluoromethyl)pyri dine-3-yl)...)
Show SMILES CC(=O)N1CCc2cc(cc(Cl)c12)-c1cnccc1C(F)(F)F
Show InChI InChI=1S/C16H12ClF3N2O/c1-9(23)22-5-3-10-6-11(7-14(17)15(10)22)12-8-21-4-2-13(12)16(18,19)20/h2,4,6-8H,3,5H2,1H3
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Merck Sharp & Dohme Corp; ElexoPharm GmbH

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 US9745282 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM336542
PNG
(1-(5-(pyridin-3- yl)indolin-1- yl)ethanethione | U...)
Show SMILES CC(=S)N1CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C15H14N2S/c1-11(18)17-8-6-13-9-12(4-5-15(13)17)14-3-2-7-16-10-14/h2-5,7,9-10H,6,8H2,1H3
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Merck Sharp & Dohme Corp; ElexoPharm GmbH

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 US9745282 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM336235
PNG
(1-(7-chloro-5-(pyridin-3-yl)indolin-1-yl)ethanone ...)
Show SMILES CC(=O)N1CCc2cc(cc(Cl)c12)-c1cccnc1
Show InChI InChI=1S/C15H13ClN2O/c1-10(19)18-6-4-11-7-13(8-14(16)15(11)18)12-3-2-5-17-9-12/h2-3,5,7-9H,4,6H2,1H3
PDB

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n/an/a 7.40n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

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 US9745282 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM336321
PNG
(1-(7-chloro-5-(5- (triuoromethyl)pyri dine-3-yl)in...)
Show SMILES CC(=O)N1CCc2cc(cc(Cl)c12)-c1cncc(c1)C(F)(F)F
Show InChI InChI=1S/C16H12ClF3N2O/c1-9(23)22-3-2-10-4-11(6-14(17)15(10)22)12-5-13(8-21-7-12)16(18,19)20/h4-8H,2-3H2,1H3
PDB

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n/an/a 7.5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

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 US9745282 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM336540
PNG
(1-(7-chloro-5-(5- fluoropyridin-3- yl)indon-1-yl)-...)
Show SMILES Fc1cncc(c1)-c1cc2CCN(C(=O)C(F)(F)F)c2c(Cl)c1
Show InChI InChI=1S/C15H9ClF4N2O/c16-12-5-9(10-4-11(17)7-21-6-10)3-8-1-2-22(13(8)12)14(23)15(18,19)20/h3-7H,1-2H2
PDB

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n/an/a 10.6n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

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 US9745282 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM336519
PNG
(5-(1-acetyl-7- fluoroindolin-5-yl)- 4-methylnicoti...)
Show SMILES CC(=O)N1CCc2cc(cc(F)c12)-c1cncc(C#N)c1C
Show InChI InChI=1S/C17H14FN3O/c1-10-14(7-19)8-20-9-15(10)13-5-12-3-4-21(11(2)22)17(12)16(18)6-13/h5-6,8-9H,3-4H2,1-2H3
PDB

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n/an/a 12n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

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 US9745282 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM336244
PNG
(1-(7-chloro-5-(5- fluoropyridine- 3-yl)indolin-1- ...)
Show SMILES CC(=O)N1CCc2cc(cc(Cl)c12)-c1cncc(F)c1
Show InChI InChI=1S/C15H12ClFN2O/c1-9(20)19-3-2-10-4-11(6-14(16)15(10)19)12-5-13(17)8-18-7-12/h4-8H,2-3H2,1H3
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n/an/a 12n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

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 US9745282 (2017)

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


(Homo sapiens (Human))
BDBM336516
PNG
((R)-1-(7-fluoro-5-(5- (1,1,1-trifluoro-2- hydroxyp...)
Show SMILES CC(=O)N1CCc2cc(cc(F)c12)-c1cncc(c1)C(C)(O)C(F)(F)F
Show InChI InChI=1S/C18H16F4N2O2/c1-10(25)24-4-3-11-5-12(7-15(19)16(11)24)13-6-14(9-23-8-13)17(2,26)18(20,21)22/h5-9,26H,3-4H2,1-2H3
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Merck Sharp & Dohme Corp; ElexoPharm GmbH

US Patent




US Patent US9745282 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM336347
PNG
(1-(7-fluoro-5-(5- fluoropyridine-3- yl)indolin-1-y...)
Show SMILES CC(=O)N1CCc2cc(cc(F)c12)-c1cncc(F)c1
Show InChI InChI=1S/C15H12F2N2O/c1-9(20)19-3-2-10-4-11(6-14(17)15(10)19)12-5-13(16)8-18-7-12/h4-8H,2-3H2,1H3
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Merck Sharp & Dohme Corp; ElexoPharm GmbH

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 US9745282 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50019893
PNG
(CHEMBL3287185 | US9745282, 54)
Show SMILES COc1cncc(c1)-c1ccc2N(CCc2c1)C(C)=O
Show InChI InChI=1S/C16H16N2O2/c1-11(19)18-6-5-13-7-12(3-4-16(13)18)14-8-15(20-2)10-17-9-14/h3-4,7-10H,5-6H2,1-2H3
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Merck Sharp & Dohme Corp; ElexoPharm GmbH

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 US9745282 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM336541
PNG
(2,2,2-trifluoro-1-(7- fluoro-5-(5- fluoropyridin-3...)
Show SMILES Fc1cncc(c1)-c1cc2CCN(C(=O)C(F)(F)F)c2c(F)c1
Show InChI InChI=1S/C15H9F5N2O/c16-11-4-10(6-21-7-11)9-3-8-1-2-22(13(8)12(17)5-9)14(23)15(18,19)20/h3-7H,1-2H2
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Merck Sharp & Dohme Corp; ElexoPharm GmbH

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 US9745282 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50019869
PNG
(CHEMBL3287190 | US9745282, 50)
Show SMILES CC(=O)n1ccc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C15H12N2O/c1-11(18)17-8-6-13-9-12(4-5-15(13)17)14-3-2-7-16-10-14/h2-10H,1H3
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Merck Sharp & Dohme Corp; ElexoPharm GmbH

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 US9745282 (2017)

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


(Homo sapiens (Human))
BDBM336516
PNG
((R)-1-(7-fluoro-5-(5- (1,1,1-trifluoro-2- hydroxyp...)
Show SMILES CC(=O)N1CCc2cc(cc(F)c12)-c1cncc(c1)C(C)(O)C(F)(F)F
Show InChI InChI=1S/C18H16F4N2O2/c1-10(25)24-4-3-11-5-12(7-15(19)16(11)24)13-6-14(9-23-8-13)17(2,26)18(20,21)22/h5-9,26H,3-4H2,1-2H3
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Merck Sharp & Dohme Corp; ElexoPharm GmbH

US Patent




US Patent US9745282 (2017)

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


(Homo sapiens (Human))
BDBM336322
PNG
((S)-1-(7-chloro-5-(5- (1,1,1,-trifluoro-2- hydroxy...)
Show SMILES CC(=O)N1CCc2cc(cc(Cl)c12)-c1cncc(c1)C(C)(O)C(F)(F)F
Show InChI InChI=1S/C18H16ClF3N2O2/c1-10(25)24-4-3-11-5-12(7-15(19)16(11)24)13-6-14(9-23-8-13)17(2,26)18(20,21)22/h5-9,26H,3-4H2,1-2H3
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Merck Sharp & Dohme Corp; ElexoPharm GmbH

US Patent




US Patent US9745282 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50019889
PNG
(CHEMBL3287181 | US9745282, 30)
Show SMILES CC(C)C(=O)N1CCc2cc(ccc12)-c1cncc2ccccc12
Show InChI InChI=1S/C21H20N2O/c1-14(2)21(24)23-10-9-16-11-15(7-8-20(16)23)19-13-22-12-17-5-3-4-6-18(17)19/h3-8,11-14H,9-10H2,1-2H3
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Merck Sharp & Dohme Corp; ElexoPharm GmbH

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 US9745282 (2017)

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


(Homo sapiens (Human))
BDBM50019871
PNG
(CHEMBL3287192 | US9745282, 51)
Show SMILES CC(=O)n1ccc2cc(ccc12)-c1cncc2ccccc12
Show InChI InChI=1S/C19H14N2O/c1-13(22)21-9-8-15-10-14(6-7-19(15)21)18-12-20-11-16-4-2-3-5-17(16)18/h2-12H,1H3
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Merck Sharp & Dohme Corp; ElexoPharm GmbH

US Patent




US Patent US9745282 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM336317
PNG
(5-(1-acetyl-7- chloroindolin-5-yl) 4- methylnicoti...)
Show SMILES CC(=O)N1CCc2cc(cc(Cl)c12)-c1cncc(C#N)c1C
Show InChI InChI=1S/C17H14ClN3O/c1-10-14(7-19)8-20-9-15(10)13-5-12-3-4-21(11(2)22)17(12)16(18)6-13/h5-6,8-9H,3-4H2,1-2H3
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Merck Sharp & Dohme Corp; ElexoPharm GmbH

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 US9745282 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50019892
PNG
(CHEMBL3287184 | US9745282, 55)
Show SMILES CC(=O)N1CCc2cc(ccc12)-c1cncc(c1)C(C)=O
Show InChI InChI=1S/C17H16N2O2/c1-11(20)15-8-16(10-18-9-15)13-3-4-17-14(7-13)5-6-19(17)12(2)21/h3-4,7-10H,5-6H2,1-2H3
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Merck Sharp & Dohme Corp; ElexoPharm GmbH

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 US9745282 (2017)

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


(Homo sapiens (Human))
BDBM336347
PNG
(1-(7-fluoro-5-(5- fluoropyridine-3- yl)indolin-1-y...)
Show SMILES CC(=O)N1CCc2cc(cc(F)c12)-c1cncc(F)c1
Show InChI InChI=1S/C15H12F2N2O/c1-9(20)19-3-2-10-4-11(6-14(17)15(10)19)12-5-13(16)8-18-7-12/h4-8H,2-3H2,1H3
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Merck Sharp & Dohme Corp; ElexoPharm GmbH

US Patent




US Patent US9745282 (2017)

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


(Homo sapiens (Human))
BDBM50019886
PNG
(CHEMBL3287178 | US9745282, 28)
Show SMILES CC(=O)N1CCc2cc(ccc12)-c1cncc2ccccc12
Show InChI InChI=1S/C19H16N2O/c1-13(22)21-9-8-15-10-14(6-7-19(15)21)18-12-20-11-16-4-2-3-5-17(16)18/h2-7,10-12H,8-9H2,1H3
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Merck Sharp & Dohme Corp; ElexoPharm GmbH

US Patent




US Patent US9745282 (2017)

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


(Homo sapiens (Human))
BDBM336322
PNG
((S)-1-(7-chloro-5-(5- (1,1,1,-trifluoro-2- hydroxy...)
Show SMILES CC(=O)N1CCc2cc(cc(Cl)c12)-c1cncc(c1)C(C)(O)C(F)(F)F
Show InChI InChI=1S/C18H16ClF3N2O2/c1-10(25)24-4-3-11-5-12(7-15(19)16(11)24)13-6-14(9-23-8-13)17(2,26)18(20,21)22/h5-9,26H,3-4H2,1-2H3
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Merck Sharp & Dohme Corp; ElexoPharm GmbH

US Patent




US Patent US9745282 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50019894
PNG
(CHEMBL3287186 | US9745282, 56)
Show SMILES CC(O)c1cncc(c1)-c1ccc2N(CCc2c1)C(C)=O
Show InChI InChI=1S/C17H18N2O2/c1-11(20)15-8-16(10-18-9-15)13-3-4-17-14(7-13)5-6-19(17)12(2)21/h3-4,7-11,20H,5-6H2,1-2H3
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Merck Sharp & Dohme Corp; ElexoPharm GmbH

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 US9745282 (2017)

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


(Homo sapiens (Human))
BDBM336320
PNG
(1-(7-chloro-5- (isoquinolin-4-yl) indolin-1- yl)et...)
Show SMILES CC(=O)N1CCc2cc(cc(Cl)c12)-c1cncc2ccccc12
Show InChI InChI=1S/C19H15ClN2O/c1-12(23)22-7-6-13-8-15(9-18(20)19(13)22)17-11-21-10-14-4-2-3-5-16(14)17/h2-5,8-11H,6-7H2,1H3
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Merck Sharp & Dohme Corp; ElexoPharm GmbH

US Patent




US Patent US9745282 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50019891
PNG
(CHEMBL3287183 | US9745282, 52)
Show SMILES CC(=O)N1CCc2cc(ccc12)-c1cncc(F)c1
Show InChI InChI=1S/C15H13FN2O/c1-10(19)18-5-4-12-6-11(2-3-15(12)18)13-7-14(16)9-17-8-13/h2-3,6-9H,4-5H2,1H3
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Merck Sharp & Dohme Corp; ElexoPharm GmbH

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 US9745282 (2017)

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


(Homo sapiens (Human))
BDBM336520
PNG
(1-(7-fluoro-5-(4- methylpyridin-3- yl)indolin-1-yl...)
Show SMILES CC(=O)N1CCc2cc(cc(F)c12)-c1cnccc1C
Show InChI InChI=1S/C16H15FN2O/c1-10-3-5-18-9-14(10)13-7-12-4-6-19(11(2)20)16(12)15(17)8-13/h3,5,7-9H,4,6H2,1-2H3
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Merck Sharp & Dohme Corp; ElexoPharm GmbH

US Patent




US Patent US9745282 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM336518
PNG
(5-(1-acetyl-7- fluoroindolin-5- yl)nicotinonitrile...)
Show SMILES CC(=O)N1CCc2cc(cc(F)c12)-c1cncc(c1)C#N
Show InChI InChI=1S/C16H12FN3O/c1-10(21)20-3-2-12-5-13(6-15(17)16(12)20)14-4-11(7-18)8-19-9-14/h4-6,8-9H,2-3H2,1H3
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Merck Sharp & Dohme Corp; ElexoPharm GmbH

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 US9745282 (2017)

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


(Homo sapiens (Human))
BDBM336351
PNG
(1-(7-fluoro-5-(5- fluoro-4- methylpyridine-3- yl)i...)
Show SMILES CC(=O)N1CCc2cc(cc(F)c12)-c1cncc(F)c1C
Show InChI InChI=1S/C16H14F2N2O/c1-9-13(7-19-8-15(9)18)12-5-11-3-4-20(10(2)21)16(11)14(17)6-12/h5-8H,3-4H2,1-2H3
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Merck Sharp & Dohme Corp; ElexoPharm GmbH

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US Patent US9745282 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50019891
PNG
(CHEMBL3287183 | US9745282, 52)
Show SMILES CC(=O)N1CCc2cc(ccc12)-c1cncc(F)c1
Show InChI InChI=1S/C15H13FN2O/c1-10(19)18-5-4-12-6-11(2-3-15(12)18)13-7-14(16)9-17-8-13/h2-3,6-9H,4-5H2,1H3
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Merck Sharp & Dohme Corp; ElexoPharm GmbH

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 US9745282 (2017)

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


(Homo sapiens (Human))
BDBM336267
PNG
(1-(7-chloro-5-(5- methoxypyridin-3- yl)indolin-1- ...)
Show SMILES COc1cncc(c1)-c1cc2CCN(C(C)=O)c2c(Cl)c1
Show InChI InChI=1S/C16H15ClN2O2/c1-10(20)19-4-3-11-5-12(7-15(17)16(11)19)13-6-14(21-2)9-18-8-13/h5-9H,3-4H2,1-2H3
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Merck Sharp & Dohme Corp; ElexoPharm GmbH

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US Patent US9745282 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50019888
PNG
(CHEMBL3287180 | US9745282, 31)
Show SMILES O=C(C1CC1)N1CCc2cc(ccc12)-c1cncc2ccccc12
Show InChI InChI=1S/C21H18N2O/c24-21(14-5-6-14)23-10-9-16-11-15(7-8-20(16)23)19-13-22-12-17-3-1-2-4-18(17)19/h1-4,7-8,11-14H,5-6,9-10H2
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Merck Sharp & Dohme Corp; ElexoPharm GmbH

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 US9745282 (2017)

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


(Homo sapiens (Human))
BDBM50019895
PNG
(CHEMBL3287187 | US9745282, 57)
Show SMILES CC(=O)N1CCc2cc(ccc12)-c1cncc(c1)-c1ccccc1
Show InChI InChI=1S/C21H18N2O/c1-15(24)23-10-9-18-11-17(7-8-21(18)23)20-12-19(13-22-14-20)16-5-3-2-4-6-16/h2-8,11-14H,9-10H2,1H3
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Merck Sharp & Dohme Corp; ElexoPharm GmbH

US Patent




US Patent US9745282 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM336523
PNG
(1-(5-(4-ethyl-5- fluoropyridin-3-yl)- 6-fluoroindo...)
Show SMILES CCc1c(F)cncc1-c1cc2CCN(C(C)=O)c2cc1F
Show InChI InChI=1S/C17H16F2N2O/c1-3-12-14(8-20-9-16(12)19)13-6-11-4-5-21(10(2)22)17(11)7-15(13)18/h6-9H,3-5H2,1-2H3
PDB

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n/an/a 170n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

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 US9745282 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM336521
PNG
(1-(6-fluoro-5- (pyridin-3- yl)indon-1- yl)ethanone...)
Show SMILES CC(=O)N1CCc2cc(c(F)cc12)-c1cccnc1
Show InChI InChI=1S/C15H13FN2O/c1-10(19)18-6-4-11-7-13(14(16)8-15(11)18)12-3-2-5-17-9-12/h2-3,5,7-9H,4,6H2,1H3
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n/an/a 180n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

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 US9745282 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50019875
PNG
(CHEMBL3287170 | US9745282, 21)
Show SMILES CCC(=O)N1CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C16H16N2O/c1-2-16(19)18-9-7-13-10-12(5-6-15(13)18)14-4-3-8-17-11-14/h3-6,8,10-11H,2,7,9H2,1H3
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n/an/a 228n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

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 US9745282 (2017)

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


(Homo sapiens (Human))
BDBM336331
PNG
(1-(7-chloro-5-(5- fluoro-4- methylpyridin-3- yl)in...)
Show SMILES CC(=O)N1CCc2cc(cc(Cl)c12)-c1cncc(F)c1C
Show InChI InChI=1S/C16H14ClFN2O/c1-9-13(7-19-8-15(9)18)12-5-11-3-4-20(10(2)21)16(11)14(17)6-12/h5-8H,3-4H2,1-2H3
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Merck Sharp & Dohme Corp; ElexoPharm GmbH

US Patent




US Patent US9745282 (2017)

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


(Homo sapiens (Human))
BDBM336317
PNG
(5-(1-acetyl-7- chloroindolin-5-yl) 4- methylnicoti...)
Show SMILES CC(=O)N1CCc2cc(cc(Cl)c12)-c1cncc(C#N)c1C
Show InChI InChI=1S/C17H14ClN3O/c1-10-14(7-19)8-20-9-15(10)13-5-12-3-4-21(11(2)22)17(12)16(18)6-13/h5-6,8-9H,3-4H2,1-2H3
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Merck Sharp & Dohme Corp; ElexoPharm GmbH

US Patent




US Patent US9745282 (2017)

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


(Homo sapiens (Human))
BDBM50019867
PNG
(CHEMBL3287188 | US9745282, 58)
Show SMILES CC(=O)N1CCc2cc(ccc12)-c1cnccc1C
Show InChI InChI=1S/C16H16N2O/c1-11-5-7-17-10-15(11)13-3-4-16-14(9-13)6-8-18(16)12(2)19/h3-5,7,9-10H,6,8H2,1-2H3
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n/an/a 366n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

US Patent




US Patent US9745282 (2017)

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


(Homo sapiens (Human))
BDBM336521
PNG
(1-(6-fluoro-5- (pyridin-3- yl)indon-1- yl)ethanone...)
Show SMILES CC(=O)N1CCc2cc(c(F)cc12)-c1cccnc1
Show InChI InChI=1S/C15H13FN2O/c1-10(19)18-6-4-11-7-13(14(16)8-15(11)18)12-3-2-5-17-9-12/h2-3,5,7-9H,4,6H2,1H3
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Merck Sharp & Dohme Corp; ElexoPharm GmbH

US Patent




US Patent US9745282 (2017)

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


(Homo sapiens (Human))
BDBM336330
PNG
(1-(7-chloro-5-(4- ethyl-5- fluoropyridin-3- yl)ind...)
Show SMILES CCc1c(F)cncc1-c1cc2CCN(C(C)=O)c2c(Cl)c1
Show InChI InChI=1S/C17H16ClFN2O/c1-3-13-14(8-20-9-16(13)19)12-6-11-4-5-21(10(2)22)17(11)15(18)7-12/h6-9H,3-5H2,1-2H3
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Merck Sharp & Dohme Corp; ElexoPharm GmbH

US Patent




US Patent US9745282 (2017)

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


(Homo sapiens (Human))
BDBM336321
PNG
(1-(7-chloro-5-(5- (triuoromethyl)pyri dine-3-yl)in...)
Show SMILES CC(=O)N1CCc2cc(cc(Cl)c12)-c1cncc(c1)C(F)(F)F
Show InChI InChI=1S/C16H12ClF3N2O/c1-9(23)22-3-2-10-4-11(6-14(17)15(10)22)12-5-13(8-21-7-12)16(18,19)20/h4-8H,2-3H2,1H3
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Merck Sharp & Dohme Corp; ElexoPharm GmbH

US Patent




US Patent US9745282 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50019890
PNG
(CHEMBL3287182 | US9745282, 53)
Show SMILES CC(=O)N1CCc2cc(ccc12)-c1cncc(c1)C#N
Show InChI InChI=1S/C16H13N3O/c1-11(20)19-5-4-14-7-13(2-3-16(14)19)15-6-12(8-17)9-18-10-15/h2-3,6-7,9-10H,4-5H2,1H3
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n/an/a 426n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

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 US9745282 (2017)

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


(Homo sapiens (Human))
BDBM336244
PNG
(1-(7-chloro-5-(5- fluoropyridine- 3-yl)indolin-1- ...)
Show SMILES CC(=O)N1CCc2cc(cc(Cl)c12)-c1cncc(F)c1
Show InChI InChI=1S/C15H12ClFN2O/c1-9(20)19-3-2-10-4-11(6-14(16)15(10)19)12-5-13(17)8-18-7-12/h4-8H,2-3H2,1H3
PDB

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Merck Sharp & Dohme Corp; ElexoPharm GmbH

US Patent




US Patent US9745282 (2017)

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


(Homo sapiens (Human))
BDBM336524
PNG
(1-(6-chloro-5-(pyridin-3-yl)indoline-1-yl)ethanone...)
Show SMILES CC(=O)N1CCc2cc(c(Cl)cc12)-c1cccnc1
Show InChI InChI=1S/C15H13ClN2O/c1-10(19)18-6-4-11-7-13(14(16)8-15(11)18)12-3-2-5-17-9-12/h2-3,5,7-9H,4,6H2,1H3
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Merck Sharp & Dohme Corp; ElexoPharm GmbH

US Patent




US Patent US9745282 (2017)

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


(Homo sapiens (Human))
BDBM336515
PNG
(1-(5-(4-ethyl-5- fluoropyridine-3-yl)- 7-fluoroind...)
Show SMILES CCc1c(F)cncc1-c1cc2CCN(C(C)=O)c2c(F)c1
Show InChI InChI=1S/C17H16F2N2O/c1-3-13-14(8-20-9-16(13)19)12-6-11-4-5-21(10(2)22)17(11)15(18)7-12/h6-9H,3-5H2,1-2H3
PDB

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n/an/a 500n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

US Patent




US Patent US9745282 (2017)

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


(Homo sapiens (Human))
BDBM50019887
PNG
(CHEMBL3287179 | US9745282, 29)
Show SMILES CCC(=O)N1CCc2cc(ccc12)-c1cncc2ccccc12
Show InChI InChI=1S/C20H18N2O/c1-2-20(23)22-10-9-15-11-14(7-8-19(15)22)18-13-21-12-16-5-3-4-6-17(16)18/h3-8,11-13H,2,9-10H2,1H3
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Merck Sharp & Dohme Corp; ElexoPharm GmbH

US Patent




US Patent US9745282 (2017)

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


(Homo sapiens (Human))
BDBM336540
PNG
(1-(7-chloro-5-(5- fluoropyridin-3- yl)indon-1-yl)-...)
Show SMILES Fc1cncc(c1)-c1cc2CCN(C(=O)C(F)(F)F)c2c(Cl)c1
Show InChI InChI=1S/C15H9ClF4N2O/c16-12-5-9(10-4-11(17)7-21-6-10)3-8-1-2-22(13(8)12)14(23)15(18,19)20/h3-7H,1-2H2
PDB

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Merck Sharp & Dohme Corp; ElexoPharm GmbH

US Patent




US Patent US9745282 (2017)

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


(Homo sapiens (Human))
BDBM336519
PNG
(5-(1-acetyl-7- fluoroindolin-5-yl)- 4-methylnicoti...)
Show SMILES CC(=O)N1CCc2cc(cc(F)c12)-c1cncc(C#N)c1C
Show InChI InChI=1S/C17H14FN3O/c1-10-14(7-19)8-20-9-15(10)13-5-12-3-4-21(11(2)22)17(12)16(18)6-13/h5-6,8-9H,3-4H2,1-2H3
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Merck Sharp & Dohme Corp; ElexoPharm GmbH

US Patent




US Patent US9745282 (2017)

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


(Homo sapiens (Human))
BDBM336235
PNG
(1-(7-chloro-5-(pyridin-3-yl)indolin-1-yl)ethanone ...)
Show SMILES CC(=O)N1CCc2cc(cc(Cl)c12)-c1cccnc1
Show InChI InChI=1S/C15H13ClN2O/c1-10(19)18-6-4-11-7-13(8-14(16)15(11)18)12-3-2-5-17-9-12/h2-3,5,7-9H,4,6H2,1H3
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Merck Sharp & Dohme Corp; ElexoPharm GmbH

US Patent




US Patent US9745282 (2017)

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


(Homo sapiens (Human))
BDBM336313
PNG
(1-(7-chloro-5-(4- (trifluoromethyl)pyri dine-3-yl)...)
Show SMILES CC(=O)N1CCc2cc(cc(Cl)c12)-c1cnccc1C(F)(F)F
Show InChI InChI=1S/C16H12ClF3N2O/c1-9(23)22-5-3-10-6-11(7-14(17)15(10)22)12-8-21-4-2-13(12)16(18,19)20/h2,4,6-8H,3,5H2,1H3
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Merck Sharp & Dohme Corp; ElexoPharm GmbH

US Patent




US Patent US9745282 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM336526
PNG
(1-(6-chloro-5-(4- ethyl-5- fluoropyridine-3- yl)in...)
Show SMILES CCc1c(F)cncc1-c1cc2CCN(C(C)=O)c2cc1Cl
Show InChI InChI=1S/C17H16ClFN2O/c1-3-12-14(8-20-9-16(12)19)13-6-11-4-5-21(10(2)22)17(11)7-15(13)18/h6-9H,3-5H2,1-2H3
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Merck Sharp & Dohme Corp; ElexoPharm GmbH

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 US9745282 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM336524
PNG
(1-(6-chloro-5-(pyridin-3-yl)indoline-1-yl)ethanone...)
Show SMILES CC(=O)N1CCc2cc(c(Cl)cc12)-c1cccnc1
Show InChI InChI=1S/C15H13ClN2O/c1-10(19)18-6-4-11-7-13(14(16)8-15(11)18)12-3-2-5-17-9-12/h2-3,5,7-9H,4,6H2,1H3
PDB

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Merck Sharp & Dohme Corp; ElexoPharm GmbH

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 US9745282 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM336522
PNG
(1-(6-fluoro-5-(5- fluoropyridin-3- yl)indolin-1- y...)
Show SMILES CC(=O)N1CCc2cc(c(F)cc12)-c1cncc(F)c1
Show InChI InChI=1S/C15H12F2N2O/c1-9(20)19-3-2-10-5-13(14(17)6-15(10)19)11-4-12(16)8-18-7-11/h4-8H,2-3H2,1H3
PDB

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Merck Sharp & Dohme Corp; ElexoPharm GmbH

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 US9745282 (2017)

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


(Homo sapiens (Human))
BDBM336525
PNG
(1-(6-chloro-5-(5- fluoropyridine-3- yl)indolin-1- ...)
Show SMILES CC(=O)N1CCc2cc(c(Cl)cc12)-c1cncc(F)c1
Show InChI InChI=1S/C15H12ClFN2O/c1-9(20)19-3-2-10-5-13(14(16)6-15(10)19)11-4-12(17)8-18-7-11/h4-8H,2-3H2,1H3
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Merck Sharp & Dohme Corp; ElexoPharm GmbH

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US Patent US9745282 (2017)

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


(Homo sapiens (Human))
BDBM336526
PNG
(1-(6-chloro-5-(4- ethyl-5- fluoropyridine-3- yl)in...)
Show SMILES CCc1c(F)cncc1-c1cc2CCN(C(C)=O)c2cc1Cl
Show InChI InChI=1S/C17H16ClFN2O/c1-3-12-14(8-20-9-16(12)19)13-6-11-4-5-21(10(2)22)17(11)7-15(13)18/h6-9H,3-5H2,1-2H3
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Merck Sharp & Dohme Corp; ElexoPharm GmbH

US Patent




US Patent US9745282 (2017)

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


(Homo sapiens (Human))
BDBM50019893
PNG
(CHEMBL3287185 | US9745282, 54)
Show SMILES COc1cncc(c1)-c1ccc2N(CCc2c1)C(C)=O
Show InChI InChI=1S/C16H16N2O2/c1-11(19)18-6-5-13-7-12(3-4-16(13)18)14-8-15(20-2)10-17-9-14/h3-4,7-10H,5-6H2,1-2H3
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Merck Sharp & Dohme Corp; ElexoPharm GmbH

US Patent




US Patent US9745282 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM336525
PNG
(1-(6-chloro-5-(5- fluoropyridine-3- yl)indolin-1- ...)
Show SMILES CC(=O)N1CCc2cc(c(Cl)cc12)-c1cncc(F)c1
Show InChI InChI=1S/C15H12ClFN2O/c1-9(20)19-3-2-10-5-13(14(16)6-15(10)19)11-4-12(17)8-18-7-11/h4-8H,2-3H2,1H3
PDB

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Merck Sharp & Dohme Corp; ElexoPharm GmbH

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 US9745282 (2017)

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


(Homo sapiens (Human))
BDBM336332
PNG
(1-(7-fluoro-5- (pyridine-3-yl) indolin-1-yl) ethan...)
Show SMILES CC(=O)N1CCc2cc(cc(F)c12)-c1cccnc1
Show InChI InChI=1S/C15H13FN2O/c1-10(19)18-6-4-11-7-13(8-14(16)15(11)18)12-3-2-5-17-9-12/h2-3,5,7-9H,4,6H2,1H3
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n/an/a 900n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

US Patent




US Patent US9745282 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50019876
PNG
(CHEMBL3287171 | US9745282, 23)
Show SMILES O=C(C1CC1)N1CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C17H16N2O/c20-17(12-3-4-12)19-9-7-14-10-13(5-6-16(14)19)15-2-1-8-18-11-15/h1-2,5-6,8,10-12H,3-4,7,9H2
PDB

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n/an/a 1.29E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

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 US9745282 (2017)

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


(Homo sapiens (Human))
BDBM50019869
PNG
(CHEMBL3287190 | US9745282, 50)
Show SMILES CC(=O)n1ccc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C15H12N2O/c1-11(18)17-8-6-13-9-12(4-5-15(13)17)14-3-2-7-16-10-14/h2-10H,1H3
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n/an/a 1.38E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

US Patent




US Patent US9745282 (2017)

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


(Homo sapiens (Human))
BDBM336541
PNG
(2,2,2-trifluoro-1-(7- fluoro-5-(5- fluoropyridin-3...)
Show SMILES Fc1cncc(c1)-c1cc2CCN(C(=O)C(F)(F)F)c2c(F)c1
Show InChI InChI=1S/C15H9F5N2O/c16-11-4-10(6-21-7-11)9-3-8-1-2-22(13(8)12(17)5-9)14(23)15(18,19)20/h3-7H,1-2H2
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n/an/a 1.41E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

US Patent




US Patent US9745282 (2017)

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


(Homo sapiens (Human))
BDBM50019876
PNG
(CHEMBL3287171 | US9745282, 23)
Show SMILES O=C(C1CC1)N1CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C17H16N2O/c20-17(12-3-4-12)19-9-7-14-10-13(5-6-16(14)19)15-2-1-8-18-11-15/h1-2,5-6,8,10-12H,3-4,7,9H2
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n/an/a 1.42E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

US Patent




US Patent US9745282 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50019882
PNG
(CHEMBL3287175 | US9745282, 25)
Show SMILES COc1ccc(cc1)C(=O)N1CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C21H18N2O2/c1-25-19-7-4-15(5-8-19)21(24)23-12-10-17-13-16(6-9-20(17)23)18-3-2-11-22-14-18/h2-9,11,13-14H,10,12H2,1H3
PDB

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n/an/a 1.43E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

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 US9745282 (2017)

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


(Homo sapiens (Human))
BDBM50019884
PNG
(CHEMBL3287176 | US9745282, 27)
Show SMILES O=C(N1CCc2cc(ccc12)-c1cccnc1)c1cccs1
Show InChI InChI=1S/C18H14N2OS/c21-18(17-4-2-10-22-17)20-9-7-14-11-13(5-6-16(14)20)15-3-1-8-19-12-15/h1-6,8,10-12H,7,9H2
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n/an/a 1.52E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

US Patent




US Patent US9745282 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50019881
PNG
(CHEMBL3287174 | US9745282, 24)
Show SMILES Fc1ccc(cc1)C(=O)N1CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C20H15FN2O/c21-18-6-3-14(4-7-18)20(24)23-11-9-16-12-15(5-8-19(16)23)17-2-1-10-22-13-17/h1-8,10,12-13H,9,11H2
PDB

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n/an/a 2.83E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

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 US9745282 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50019885
PNG
(CHEMBL3287177 | US9745282, 26)
Show SMILES O=C(Cc1ccccc1)N1CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C21H18N2O/c24-21(13-16-5-2-1-3-6-16)23-12-10-18-14-17(8-9-20(18)23)19-7-4-11-22-15-19/h1-9,11,14-15H,10,12-13H2
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n/an/a 3.07E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

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 US9745282 (2017)

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


(Homo sapiens (Human))
BDBM50019892
PNG
(CHEMBL3287184 | US9745282, 55)
Show SMILES CC(=O)N1CCc2cc(ccc12)-c1cncc(c1)C(C)=O
Show InChI InChI=1S/C17H16N2O2/c1-11(20)15-8-16(10-18-9-15)13-3-4-17-14(7-13)5-6-19(17)12(2)21/h3-4,7-10H,5-6H2,1-2H3
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n/an/a 3.13E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

US Patent




US Patent US9745282 (2017)

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


(Homo sapiens (Human))
BDBM336542
PNG
(1-(5-(pyridin-3- yl)indolin-1- yl)ethanethione | U...)
Show SMILES CC(=S)N1CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C15H14N2S/c1-11(18)17-8-6-13-9-12(4-5-15(13)17)14-3-2-7-16-10-14/h2-5,7,9-10H,6,8H2,1H3
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n/an/a 3.38E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

US Patent




US Patent US9745282 (2017)

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


(Homo sapiens (Human))
BDBM50019889
PNG
(CHEMBL3287181 | US9745282, 30)
Show SMILES CC(C)C(=O)N1CCc2cc(ccc12)-c1cncc2ccccc12
Show InChI InChI=1S/C21H20N2O/c1-14(2)21(24)23-10-9-16-11-15(7-8-20(16)23)19-13-22-12-17-5-3-4-6-18(17)19/h3-8,11-14H,9-10H2,1-2H3
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n/an/a 3.72E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

US Patent




US Patent US9745282 (2017)

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


(Homo sapiens (Human))
BDBM50019894
PNG
(CHEMBL3287186 | US9745282, 56)
Show SMILES CC(O)c1cncc(c1)-c1ccc2N(CCc2c1)C(C)=O
Show InChI InChI=1S/C17H18N2O2/c1-11(20)15-8-16(10-18-9-15)13-3-4-17-14(7-13)5-6-19(17)12(2)21/h3-4,7-11,20H,5-6H2,1-2H3
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n/an/a 3.76E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

US Patent




US Patent US9745282 (2017)

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


(Homo sapiens (Human))
BDBM336523
PNG
(1-(5-(4-ethyl-5- fluoropyridin-3-yl)- 6-fluoroindo...)
Show SMILES CCc1c(F)cncc1-c1cc2CCN(C(C)=O)c2cc1F
Show InChI InChI=1S/C17H16F2N2O/c1-3-12-14(8-20-9-16(12)19)13-6-11-4-5-21(10(2)22)17(11)7-15(13)18/h6-9H,3-5H2,1-2H3
PDB

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n/an/a 4.00E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

US Patent




US Patent US9745282 (2017)

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


(Homo sapiens (Human))
BDBM50019875
PNG
(CHEMBL3287170 | US9745282, 21)
Show SMILES CCC(=O)N1CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C16H16N2O/c1-2-16(19)18-9-7-13-10-12(5-6-15(13)18)14-4-3-8-17-11-14/h3-6,8,10-11H,2,7,9H2,1H3
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n/an/a 4.74E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

US Patent




US Patent US9745282 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM336528
PNG
(1-(3-chloro- propanoyl)-5- pyridin-3-yl-2,3- dihyd...)
Show SMILES O=C(CCC#N)N1CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C17H15N3O/c18-8-1-4-17(21)20-10-7-14-11-13(5-6-16(14)20)15-3-2-9-19-12-15/h2-3,5-6,9,11-12H,1,4,7,10H2
PDB

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n/an/a>5.00E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

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 US9745282 (2017)

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


(Homo sapiens (Human))
BDBM336528
PNG
(1-(3-chloro- propanoyl)-5- pyridin-3-yl-2,3- dihyd...)
Show SMILES O=C(CCC#N)N1CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C17H15N3O/c18-8-1-4-17(21)20-10-7-14-11-13(5-6-16(14)20)15-3-2-9-19-12-15/h2-3,5-6,9,11-12H,1,4,7,10H2
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n/an/a>5.00E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

US Patent




US Patent US9745282 (2017)

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


(Homo sapiens (Human))
BDBM50019882
PNG
(CHEMBL3287175 | US9745282, 25)
Show SMILES COc1ccc(cc1)C(=O)N1CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C21H18N2O2/c1-25-19-7-4-15(5-8-19)21(24)23-12-10-17-13-16(6-9-20(17)23)18-3-2-11-22-14-18/h2-9,11,13-14H,10,12H2,1H3
PDB

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n/an/a>5.00E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

US Patent




US Patent US9745282 (2017)

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


(Homo sapiens (Human))
BDBM50019885
PNG
(CHEMBL3287177 | US9745282, 26)
Show SMILES O=C(Cc1ccccc1)N1CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C21H18N2O/c24-21(13-16-5-2-1-3-6-16)23-12-10-18-14-17(8-9-20(18)23)19-7-4-11-22-15-19/h1-9,11,14-15H,10,12-13H2
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n/an/a>5.00E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

US Patent




US Patent US9745282 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50019884
PNG
(CHEMBL3287176 | US9745282, 27)
Show SMILES O=C(N1CCc2cc(ccc12)-c1cccnc1)c1cccs1
Show InChI InChI=1S/C18H14N2OS/c21-18(17-4-2-10-22-17)20-9-7-14-11-13(5-6-16(14)20)15-3-1-8-19-12-15/h1-6,8,10-12H,7,9H2
PDB

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n/an/a>5.00E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

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 US9745282 (2017)

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


(Homo sapiens (Human))
BDBM50019881
PNG
(CHEMBL3287174 | US9745282, 24)
Show SMILES Fc1ccc(cc1)C(=O)N1CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C20H15FN2O/c21-18-6-3-14(4-7-18)20(24)23-11-9-16-12-15(5-8-19(16)23)17-2-1-10-22-13-17/h1-8,10,12-13H,9,11H2
PDB

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n/an/a>5.00E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

US Patent




US Patent US9745282 (2017)

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


(Homo sapiens (Human))
BDBM50019888
PNG
(CHEMBL3287180 | US9745282, 31)
Show SMILES O=C(C1CC1)N1CCc2cc(ccc12)-c1cncc2ccccc12
Show InChI InChI=1S/C21H18N2O/c24-21(14-5-6-14)23-10-9-16-11-15(7-8-20(16)23)19-13-22-12-17-3-1-2-4-18(17)19/h1-4,7-8,11-14H,5-6,9-10H2
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n/an/a 6.09E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

US Patent




US Patent US9745282 (2017)

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


(Homo sapiens (Human))
BDBM50019890
PNG
(CHEMBL3287182 | US9745282, 53)
Show SMILES CC(=O)N1CCc2cc(ccc12)-c1cncc(c1)C#N
Show InChI InChI=1S/C16H13N3O/c1-11(20)19-5-4-14-7-13(2-3-16(14)19)15-6-12(8-17)9-18-10-15/h2-3,6-7,9-10H,4-5H2,1H3
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n/an/a 6.64E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

US Patent




US Patent US9745282 (2017)

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


(Homo sapiens (Human))
BDBM50019891
PNG
(CHEMBL3287183 | US9745282, 52)
Show SMILES CC(=O)N1CCc2cc(ccc12)-c1cncc(F)c1
Show InChI InChI=1S/C15H13FN2O/c1-10(19)18-5-4-12-6-11(2-3-15(12)18)13-7-14(16)9-17-8-13/h2-3,6-9H,4-5H2,1H3
PDB

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n/an/a 6.81E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

US Patent




US Patent US9745282 (2017)

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


(Homo sapiens (Human))
BDBM336518
PNG
(5-(1-acetyl-7- fluoroindolin-5- yl)nicotinonitrile...)
Show SMILES CC(=O)N1CCc2cc(cc(F)c12)-c1cncc(c1)C#N
Show InChI InChI=1S/C16H12FN3O/c1-10(21)20-3-2-12-5-13(6-15(17)16(12)20)14-4-11(7-18)8-19-9-14/h4-6,8-9H,2-3H2,1H3
PDB

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n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

US Patent




US Patent US9745282 (2017)

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


(Homo sapiens (Human))
BDBM336522
PNG
(1-(6-fluoro-5-(5- fluoropyridin-3- yl)indolin-1- y...)
Show SMILES CC(=O)N1CCc2cc(c(F)cc12)-c1cncc(F)c1
Show InChI InChI=1S/C15H12F2N2O/c1-9(20)19-3-2-10-5-13(14(17)6-15(10)19)11-4-12(16)8-18-7-11/h4-8H,2-3H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

US Patent




US Patent US9745282 (2017)

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


(Homo sapiens (Human))
BDBM50019891
PNG
(CHEMBL3287183 | US9745282, 52)
Show SMILES CC(=O)N1CCc2cc(ccc12)-c1cncc(F)c1
Show InChI InChI=1S/C15H13FN2O/c1-10(19)18-5-4-12-6-11(2-3-15(12)18)13-7-14(16)9-17-8-13/h2-3,6-9H,4-5H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

US Patent




US Patent US9745282 (2017)

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