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Patent code US10085984

Compile Data Set for Download or QSAR

Found 272 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))
BDBM287742
PNG
(US10085984, Example 120)
Show SMILES FC(F)c1cc(cnn1)-c1nc2cc(F)c(cc2n1C1CC1)C#N
Show InChI InChI=1S/C16H10F3N5/c17-11-5-12-14(4-8(11)6-20)24(10-1-2-10)16(22-12)9-3-13(15(18)19)23-21-7-9/h3-5,7,10,15H,1-2H2
PDB

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Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)

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


(Homo sapiens (human))
BDBM287745
PNG
(US10085984, Example 123)
Show SMILES CSc1cc(cnn1)-c1nc2cc(F)c(F)cc2n1C1CC1
Show InChI InChI=1S/C15H12F2N4S/c1-22-14-4-8(7-18-20-14)15-19-12-5-10(16)11(17)6-13(12)21(15)9-2-3-9/h4-7,9H,2-3H2,1H3
PDB

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Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)

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


(Homo sapiens (human))
BDBM287644
PNG
(US10085984, Example 22)
Show SMILES Fc1cc2nc(-c3cnnc(Cl)c3)n(C3CC3)c2cc1F
Show InChI InChI=1S/C14H9ClF2N4/c15-13-3-7(6-18-20-13)14-19-11-4-9(16)10(17)5-12(11)21(14)8-1-2-8/h3-6,8H,1-2H2
PDB

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Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)

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


(Homo sapiens (human))
BDBM287652
PNG
(US10085984, Example 30)
Show SMILES Cc1cc(cnn1)-c1cc2ccc(F)cc2n1C1CC1
Show InChI InChI=1S/C16H14FN3/c1-10-6-12(9-18-19-10)15-7-11-2-3-13(17)8-16(11)20(15)14-4-5-14/h2-3,6-9,14H,4-5H2,1H3
PDB

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Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)

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


(Homo sapiens (human))
BDBM287661
PNG
(US10085984, Example 39)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)c1cc(cnn1)-c1nc2cc(F)c(F)cc2n1C1CC1
Show InChI InChI=1S/C23H26F2N6O2/c1-23(2,3)33-22(32)30-8-6-29(7-9-30)20-10-14(13-26-28-20)21-27-18-11-16(24)17(25)12-19(18)31(21)15-4-5-15/h10-13,15H,4-9H2,1-3H3
PDB

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Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)

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


(Homo sapiens (human))
BDBM287661
PNG
(US10085984, Example 39)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)c1cc(cnn1)-c1nc2cc(F)c(F)cc2n1C1CC1
Show InChI InChI=1S/C23H26F2N6O2/c1-23(2,3)33-22(32)30-8-6-29(7-9-30)20-10-14(13-26-28-20)21-27-18-11-16(24)17(25)12-19(18)31(21)15-4-5-15/h10-13,15H,4-9H2,1-3H3
PDB

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Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)

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


(Homo sapiens (human))
BDBM287681
PNG
(US10085984, Example 59)
Show SMILES Fc1cc2nc(-c3cnnc(c3)C3CC3)n(C3CC3)c2cc1F
Show InChI InChI=1S/C17H14F2N4/c18-12-6-15-16(7-13(12)19)23(11-3-4-11)17(21-15)10-5-14(9-1-2-9)22-20-8-10/h5-9,11H,1-4H2
PDB

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Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)

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


(Homo sapiens (human))
BDBM287691
PNG
(US10085984, Example 69)
Show SMILES CCn1c(nc2ccc(cc12)C#N)-c1cnnc(c1)C(F)F
Show InChI InChI=1S/C15H11F2N5/c1-2-22-13-5-9(7-18)3-4-11(13)20-15(22)10-6-12(14(16)17)21-19-8-10/h3-6,8,14H,2H2,1H3
PDB

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Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)

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


(Homo sapiens (human))
BDBM287694
PNG
(US10085984, Example 72)
Show SMILES CCn1c(nc2cc(F)c(F)cc12)-c1cnnc(c1)C1CC1
Show InChI InChI=1S/C16H14F2N4/c1-2-22-15-7-12(18)11(17)6-14(15)20-16(22)10-5-13(9-3-4-9)21-19-8-10/h5-9H,2-4H2,1H3
PDB

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Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)

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


(Homo sapiens (human))
BDBM287710
PNG
(US10085984, Example 88)
Show SMILES Fc1cc2nc(-c3cnnc(CN4CCCS4(=O)=O)c3)n(C3CC3)c2cc1F
Show InChI InChI=1S/C18H17F2N5O2S/c19-14-7-16-17(8-15(14)20)25(13-2-3-13)18(22-16)11-6-12(23-21-9-11)10-24-4-1-5-28(24,26)27/h6-9,13H,1-5,10H2
PDB

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Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)

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


(Homo sapiens (human))
BDBM287711
PNG
(US10085984, Example 89)
Show SMILES FC(F)(F)c1cc(cnn1)-c1nc2ccc(nc2n1C1CC1)C#N
Show InChI InChI=1S/C15H9F3N6/c16-15(17,18)12-5-8(7-20-23-12)13-22-11-4-1-9(6-19)21-14(11)24(13)10-2-3-10/h1,4-5,7,10H,2-3H2
PDB

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Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)

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


(Homo sapiens (human))
BDBM287719
PNG
(US10085984, Example 97)
Show SMILES CCCCc1cc(cnn1)-c1nc2cc(F)c(F)cc2n1C1CC1
Show InChI InChI=1S/C18H18F2N4/c1-2-3-4-12-7-11(10-21-23-12)18-22-16-8-14(19)15(20)9-17(16)24(18)13-5-6-13/h7-10,13H,2-6H2,1H3
PDB

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Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)

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


(Homo sapiens (human))
BDBM287728
PNG
(US10085984, Example 106)
Show SMILES Fc1cc2nc(-c3cnnc4CCCCc34)n(C3CC3)c2cc1F
Show InChI InChI=1S/C18H16F2N4/c19-13-7-16-17(8-14(13)20)24(10-5-6-10)18(22-16)12-9-21-23-15-4-2-1-3-11(12)15/h7-10H,1-6H2
PDB

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Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)

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


(Homo sapiens (human))
BDBM287743
PNG
(US10085984, Example 121)
Show SMILES Fc1cc2nc(-c3cnnc4CCCc34)n(C3CC3)c2cc1F
Show InChI InChI=1S/C17H14F2N4/c18-12-6-15-16(7-13(12)19)23(9-4-5-9)17(21-15)11-8-20-22-14-3-1-2-10(11)14/h6-9H,1-5H2
PDB

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Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)

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


(Homo sapiens (human))
BDBM287749
PNG
(US10085984, Example 127)
Show SMILES FC(F)Oc1cc(cnn1)-c1nc2cc(F)c(F)cc2n1C1CC1
Show InChI InChI=1S/C15H10F4N4O/c16-9-4-11-12(5-10(9)17)23(8-1-2-8)14(21-11)7-3-13(22-20-6-7)24-15(18)19/h3-6,8,15H,1-2H2
PDB

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Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)

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


(Homo sapiens (human))
BDBM287628
PNG
(US10085984, Example 6)
Show SMILES CCc1cc(cnn1)-c1nc2ccc(F)cc2n1C1CC1
Show InChI InChI=1S/C16H15FN4/c1-2-12-7-10(9-18-20-12)16-19-14-6-3-11(17)8-15(14)21(16)13-4-5-13/h3,6-9,13H,2,4-5H2,1H3
PDB

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Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)

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


(Homo sapiens (human))
BDBM287647
PNG
(US10085984, Example 25)
Show SMILES CN(C)c1cc(cnn1)-c1nc2cc(F)c(F)cc2n1C1CC1
Show InChI InChI=1S/C16H15F2N5/c1-22(2)15-5-9(8-19-21-15)16-20-13-6-11(17)12(18)7-14(13)23(16)10-3-4-10/h5-8,10H,3-4H2,1-2H3
PDB

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Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)

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


(Homo sapiens (human))
BDBM287653
PNG
(US10085984, Example 31)
Show SMILES CCS(=O)(=O)NCc1cc(cnn1)-c1nc2ccc(F)cc2n1C1CC1
Show InChI InChI=1S/C17H18FN5O2S/c1-2-26(24,25)20-10-13-7-11(9-19-22-13)17-21-15-6-3-12(18)8-16(15)23(17)14-4-5-14/h3,6-9,14,20H,2,4-5,10H2,1H3
PDB

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Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)

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


(Homo sapiens (human))
BDBM287673
PNG
(US10085984, Example 51)
Show SMILES CC(C)c1cc(cnn1)-c1nc2cc(F)c(F)cc2n1C1CC1
Show InChI InChI=1S/C17H16F2N4/c1-9(2)14-5-10(8-20-22-14)17-21-15-6-12(18)13(19)7-16(15)23(17)11-3-4-11/h5-9,11H,3-4H2,1-2H3
PDB

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Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)

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


(Homo sapiens (human))
BDBM287676
PNG
(US10085984, Example 54)
Show SMILES CNc1ccc2nc(-c3cnnc(C)c3)n(C3CC3)c2n1
Show InChI InChI=1S/C15H16N6/c1-9-7-10(8-17-20-9)14-18-12-5-6-13(16-2)19-15(12)21(14)11-3-4-11/h5-8,11H,3-4H2,1-2H3,(H,16,19)
PDB

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Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)

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


(Homo sapiens (human))
BDBM287683
PNG
(US10085984, Example 61)
Show SMILES Cc1cc(F)ccc1-c1cc(cnn1)-c1nc2cc(F)c(F)cc2n1C1CC1
Show InChI InChI=1S/C21H15F3N4/c1-11-6-13(22)2-5-15(11)18-7-12(10-25-27-18)21-26-19-8-16(23)17(24)9-20(19)28(21)14-3-4-14/h2,5-10,14H,3-4H2,1H3
PDB

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Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)

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


(Homo sapiens (human))
BDBM287684
PNG
(US10085984, Example 62)
Show SMILES Fc1ccc(c(F)c1)-c1cc(cnn1)-c1nc2cc(F)c(F)cc2n1C1CC1
Show InChI InChI=1S/C20H12F4N4/c21-11-1-4-13(14(22)6-11)17-5-10(9-25-27-17)20-26-18-7-15(23)16(24)8-19(18)28(20)12-2-3-12/h1,4-9,12H,2-3H2
PDB

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Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)

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


(Homo sapiens (human))
BDBM287697
PNG
(US10085984, Example 75)
Show SMILES N#Cc1ccc2nc(-c3cnnc(c3)C3CC3)n(C3CC3)c2c1
Show InChI InChI=1S/C18H15N5/c19-9-11-1-6-15-17(7-11)23(14-4-5-14)18(21-15)13-8-16(12-2-3-12)22-20-10-13/h1,6-8,10,12,14H,2-5H2
PDB

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Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)

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


(Homo sapiens (human))
BDBM287709
PNG
(US10085984, Example 87)
Show SMILES N#Cc1ccc2nc(-c3cnnc(c3)C3CC3)n(C3CC3)c2n1
Show InChI InChI=1S/C17H14N6/c18-8-12-3-6-14-17(20-12)23(13-4-5-13)16(21-14)11-7-15(10-1-2-10)22-19-9-11/h3,6-7,9-10,13H,1-2,4-5H2
PDB

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Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)

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


(Homo sapiens (human))
BDBM287714
PNG
(US10085984, Example 92)
Show SMILES FCc1cc(cnn1)-c1nc2cc(F)c(F)cc2n1C1CC1
Show InChI InChI=1S/C15H11F3N4/c16-6-9-3-8(7-19-21-9)15-20-13-4-11(17)12(18)5-14(13)22(15)10-1-2-10/h3-5,7,10H,1-2,6H2
PDB

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Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)

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


(Homo sapiens (human))
BDBM287724
PNG
(US10085984, Example 102)
Show SMILES Fc1cc2nc(-c3cnnc(S)c3)n(C3CC3)c2cc1F
Show InChI InChI=1S/C14H10F2N4S/c15-9-4-11-12(5-10(9)16)20(8-1-2-8)14(18-11)7-3-13(21)19-17-6-7/h3-6,8H,1-2H2,(H,19,21)
PDB

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Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)

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


(Homo sapiens (human))
BDBM287751
PNG
(US10085984, Example 129)
Show SMILES CC(F)c1cc(cnn1)-c1nc2cc(F)c(F)cc2n1C1CC1
Show InChI InChI=1S/C16H13F3N4/c1-8(17)13-4-9(7-20-22-13)16-21-14-5-11(18)12(19)6-15(14)23(16)10-2-3-10/h4-8,10H,2-3H2,1H3
PDB

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Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)

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


(Homo sapiens (human))
BDBM287633
PNG
(US10085984, Example 11)
Show SMILES Fc1ccc(cc1)N1CCN(CC1)c1cc(cnn1)-c1nc2ccc(F)cc2n1C1CC1
Show InChI InChI=1S/C24H22F2N6/c25-17-1-4-19(5-2-17)30-9-11-31(12-10-30)23-13-16(15-27-29-23)24-28-21-8-3-18(26)14-22(21)32(24)20-6-7-20/h1-5,8,13-15,20H,6-7,9-12H2
PDB

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Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)

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


(Homo sapiens (human))
BDBM287641
PNG
(US10085984, Example 19)
Show SMILES Cc1cc(cnn1)-c1nc2cc(F)c(F)cc2n1C1CC1
Show InChI InChI=1S/C15H12F2N4/c1-8-4-9(7-18-20-8)15-19-13-5-11(16)12(17)6-14(13)21(15)10-2-3-10/h4-7,10H,2-3H2,1H3
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Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)

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


(Homo sapiens (human))
BDBM287656
PNG
(US10085984, Example 34)
Show SMILES Clc1cc(cnn1)-c1nc2ccc(cc2n1C1CC1)C#N
Show InChI InChI=1S/C15H10ClN5/c16-14-6-10(8-18-20-14)15-19-12-4-1-9(7-17)5-13(12)21(15)11-2-3-11/h1,4-6,8,11H,2-3H2
PDB

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Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)

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


(Homo sapiens (human))
BDBM287659
PNG
(US10085984, Example 37)
Show SMILES CC(=O)N1CCN(CC1)c1cc(cnn1)-c1nc2cc(F)c(F)cc2n1C1CC1
Show InChI InChI=1S/C20H20F2N6O/c1-12(29)26-4-6-27(7-5-26)19-8-13(11-23-25-19)20-24-17-9-15(21)16(22)10-18(17)28(20)14-2-3-14/h8-11,14H,2-7H2,1H3
PDB

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Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)

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


(Homo sapiens (human))
BDBM287662
PNG
(US10085984, Example 40)
Show SMILES CCn1c(nc2ccc(cc12)C#N)-c1cnnc(OC)c1
Show InChI InChI=1S/C15H13N5O/c1-3-20-13-6-10(8-16)4-5-12(13)18-15(20)11-7-14(21-2)19-17-9-11/h4-7,9H,3H2,1-2H3
PDB

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Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)

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


(Homo sapiens (human))
BDBM287666
PNG
(US10085984, Example 44)
Show SMILES Fc1cc2nc(-c3cnnc(c3)N3CCC(F)(F)CC3)n(C3CC3)c2cc1F
Show InChI InChI=1S/C19H17F4N5/c20-13-8-15-16(9-14(13)21)28(12-1-2-12)18(25-15)11-7-17(26-24-10-11)27-5-3-19(22,23)4-6-27/h7-10,12H,1-6H2
PDB

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Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)

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


(Homo sapiens (human))
BDBM287679
PNG
(US10085984, Example 57)
Show SMILES CC(F)(F)COc1cc(cnn1)-c1nc2cc(F)c(F)cc2n1C1CC1
Show InChI InChI=1S/C17H14F4N4O/c1-17(20,21)8-26-15-4-9(7-22-24-15)16-23-13-5-11(18)12(19)6-14(13)25(16)10-2-3-10/h4-7,10H,2-3,8H2,1H3
PDB

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Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)

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


(Homo sapiens (human))
BDBM287696
PNG
(US10085984, Example 74)
Show SMILES Cc1cnncc1-c1nc2cc(F)c(F)cc2n1C1CC1
Show InChI InChI=1S/C15H12F2N4/c1-8-6-18-19-7-10(8)15-20-13-4-11(16)12(17)5-14(13)21(15)9-2-3-9/h4-7,9H,2-3H2,1H3
PDB

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Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)

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


(Homo sapiens (human))
BDBM287703
PNG
(US10085984, Example 81)
Show SMILES CCS(=O)(=O)c1cc(cnn1)-c1nc2cc(F)c(F)cc2n1C1CC1
Show InChI InChI=1S/C16H14F2N4O2S/c1-2-25(23,24)15-5-9(8-19-21-15)16-20-13-6-11(17)12(18)7-14(13)22(16)10-3-4-10/h5-8,10H,2-4H2,1H3
PDB

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Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)

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


(Homo sapiens (human))
BDBM287709
PNG
(US10085984, Example 87)
Show SMILES N#Cc1ccc2nc(-c3cnnc(c3)C3CC3)n(C3CC3)c2n1
Show InChI InChI=1S/C17H14N6/c18-8-12-3-6-14-17(20-12)23(13-4-5-13)16(21-14)11-7-15(10-1-2-10)22-19-9-11/h3,6-7,9-10,13H,1-2,4-5H2
PDB

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Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)

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


(Homo sapiens (human))
BDBM287723
PNG
(US10085984, Example 101)
Show SMILES FC(F)c1cc(cnn1)-c1nc2ccc(F)c(F)c2n1C1CC1
Show InChI InChI=1S/C15H10F4N4/c16-9-3-4-10-13(12(9)17)23(8-1-2-8)15(21-10)7-5-11(14(18)19)22-20-6-7/h3-6,8,14H,1-2H2
PDB

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Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)

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


(Homo sapiens (human))
BDBM287747
PNG
(US10085984, Example 125)
Show SMILES FC(F)Sc1cc(cnn1)-c1nc2cc(F)c(F)cc2n1C1CC1
Show InChI InChI=1S/C15H10F4N4S/c16-9-4-11-12(5-10(9)17)23(8-1-2-8)14(21-11)7-3-13(22-20-6-7)24-15(18)19/h3-6,8,15H,1-2H2
PDB

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Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)

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


(Homo sapiens (human))
BDBM287626
PNG
(US10085984, Example 4)
Show SMILES Fc1ccc2nc(-c3cnnc(C=C)c3)n(C3CC3)c2c1
Show InChI InChI=1S/C16H13FN4/c1-2-12-7-10(9-18-20-12)16-19-14-6-3-11(17)8-15(14)21(16)13-4-5-13/h2-3,6-9,13H,1,4-5H2
PDB

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Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)

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


(Homo sapiens (human))
BDBM287634
PNG
(US10085984, Example 12)
Show SMILES CC(C)(O)c1cc(cnn1)-c1nc2ccc(F)cc2n1C1CC1
Show InChI InChI=1S/C17H17FN4O/c1-17(2,23)15-7-10(9-19-21-15)16-20-13-6-3-11(18)8-14(13)22(16)12-4-5-12/h3,6-9,12,23H,4-5H2,1-2H3
PDB

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Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)

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


(Homo sapiens (human))
BDBM287643
PNG
(US10085984, Example 21)
Show SMILES CNc1cc(cnn1)-c1nc2cc(F)c(F)cc2n1C1CC1
Show InChI InChI=1S/C15H13F2N5/c1-18-14-4-8(7-19-21-14)15-20-12-5-10(16)11(17)6-13(12)22(15)9-2-3-9/h4-7,9H,2-3H2,1H3,(H,18,21)
PDB

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Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)

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


(Homo sapiens (human))
BDBM287665
PNG
(US10085984, Example 43)
Show SMILES Fc1cc2nc(-c3cnnc(OC4CCC4)c3)n(C3CC3)c2cc1F
Show InChI InChI=1S/C18H16F2N4O/c19-13-7-15-16(8-14(13)20)24(11-4-5-11)18(22-15)10-6-17(23-21-9-10)25-12-2-1-3-12/h6-9,11-12H,1-5H2
PDB

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Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)

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


(Homo sapiens (human))
BDBM287669
PNG
(US10085984, Example 47)
Show SMILES OC(c1cc(cnn1)-c1nc2cc(F)c(F)cc2n1C1CC1)C(F)(F)F
Show InChI InChI=1S/C16H11F5N4O/c17-9-4-11-13(5-10(9)18)25(8-1-2-8)15(23-11)7-3-12(24-22-6-7)14(26)16(19,20)21/h3-6,8,14,26H,1-2H2
PDB

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Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)

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


(Homo sapiens (human))
BDBM287671
PNG
(US10085984, Example 49)
Show SMILES Fc1ccc(cc1)-c1cc(cnn1)-c1nc2cc(F)c(F)cc2n1C1CC1
Show InChI InChI=1S/C20H13F3N4/c21-13-3-1-11(2-4-13)17-7-12(10-24-26-17)20-25-18-8-15(22)16(23)9-19(18)27(20)14-5-6-14/h1-4,7-10,14H,5-6H2
PDB

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Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)

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


(Homo sapiens (human))
BDBM287685
PNG
(US10085984, Example 63)
Show SMILES Fc1ccc(cc1F)-c1cc(cnn1)-c1nc2cc(F)c(F)cc2n1C1CC1
Show InChI InChI=1S/C20H12F4N4/c21-13-4-1-10(5-14(13)22)17-6-11(9-25-27-17)20-26-18-7-15(23)16(24)8-19(18)28(20)12-2-3-12/h1,4-9,12H,2-3H2
PDB

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Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)

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


(Homo sapiens (human))
BDBM287688
PNG
(US10085984, Example 66)
Show SMILES FC(F)c1cc(cnn1)-c1nc2ccc(cc2n1C1CC1)C#N
Show InChI InChI=1S/C16H11F2N5/c17-15(18)13-6-10(8-20-22-13)16-21-12-4-1-9(7-19)5-14(12)23(16)11-2-3-11/h1,4-6,8,11,15H,2-3H2
PDB

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Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)

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


(Homo sapiens (human))
BDBM287713
PNG
(US10085984, Example 91)
Show SMILES CC(NS(C)(=O)=O)c1cc(cnn1)-c1nc2cc(F)c(F)cc2n1C1CC1
Show InChI InChI=1S/C17H17F2N5O2S/c1-9(23-27(2,25)26)14-5-10(8-20-22-14)17-21-15-6-12(18)13(19)7-16(15)24(17)11-3-4-11/h5-9,11,23H,3-4H2,1-2H3
PDB

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n/an/a<100n/an/an/an/an/an/a



Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)

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


(Homo sapiens (human))
BDBM287746
PNG
(US10085984, Example 124)
Show SMILES CC(C)Sc1cc(cnn1)-c1nc2cc(F)c(F)cc2n1C1CC1
Show InChI InChI=1S/C17H16F2N4S/c1-9(2)24-16-5-10(8-20-22-16)17-21-14-6-12(18)13(19)7-15(14)23(17)11-3-4-11/h5-9,11H,3-4H2,1-2H3
PDB

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UniChem
n/an/a<100n/an/an/an/an/an/a



Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)

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


(Homo sapiens (human))
BDBM287636
PNG
(US10085984, Example 14)
Show SMILES Fc1ccc2nc(-c3cnnc4ccccc34)n(C3CC3)c2c1
Show InChI InChI=1S/C18H13FN4/c19-11-5-8-16-17(9-11)23(12-6-7-12)18(21-16)14-10-20-22-15-4-2-1-3-13(14)15/h1-5,8-10,12H,6-7H2
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/a<100n/an/an/an/an/an/a



Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)

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