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Compile Data Set for Download or QSAR

Found 272 hits Enz. Inhib. hit(s) with all data for entry = 9972   
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))
BDBM287650
PNG
(US10085984, Example 28 | US11040034, Ex. No. 28)
Show SMILES COCCNc1cc(cnn1)-c1nc2cc(F)c(F)cc2n1C1CC1
Show InChI InChI=1S/C17H17F2N5O/c1-25-5-4-20-16-6-10(9-21-23-16)17-22-14-7-12(18)13(19)8-15(14)24(17)11-2-3-11/h6-9,11H,2-5H2,1H3,(H,20,23)
PDB

UniProtKB/SwissProt

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TBA

Assay Description
Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM287651
PNG
(US10085984, Example 29 | US11040034, Ex. No. 29)
Show SMILES COc1cc(cnn1)-c1nc2ccc(cc2n1C1CC1)C#N
Show InChI InChI=1S/C16H13N5O/c1-22-15-7-11(9-18-20-15)16-19-13-5-2-10(8-17)6-14(13)21(16)12-3-4-12/h2,5-7,9,12H,3-4H2,1H3
PDB

UniProtKB/SwissProt

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TBA

Assay Description
Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM287652
PNG
(US10085984, Example 30 | US11040034, Ex. No. 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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TBA

Assay Description
Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM287653
PNG
(US10085984, Example 31 | US11040034, Ex. No. 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

UniProtKB/SwissProt

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TBA

Assay Description
Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM287654
PNG
(US10085984, Example 32 | US11040034, Ex. No. 32)
Show SMILES Fc1cc2nc(-c3cnnc(NCC(F)(F)F)c3)n(C3CC3)c2cc1F
Show InChI InChI=1S/C16H12F5N5/c17-10-4-12-13(5-11(10)18)26(9-1-2-9)15(24-12)8-3-14(25-23-6-8)22-7-16(19,20)21/h3-6,9H,1-2,7H2,(H,22,25)
PDB

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TBA

Assay Description
Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM287655
PNG
(US10085984, Example 33 | US11040034, Ex. No. 33)
Show SMILES CCc1cc(cnn1)-c1nc2cc(F)c(F)cc2n1C1CC1
Show InChI InChI=1S/C16H14F2N4/c1-2-10-5-9(8-19-21-10)16-20-14-6-12(17)13(18)7-15(14)22(16)11-3-4-11/h5-8,11H,2-4H2,1H3
PDB

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TBA

Assay Description
Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM287656
PNG
(US10085984, Example 34 | US11040034, Ex. No. 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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TBA

Assay Description
Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM287657
PNG
(US10085984, Example 35 | US11040034, Ex. No. 35)
Show SMILES Cc1cc(cnn1)-c1nc2ccc(cc2n1C1CC1)C#N
Show InChI InChI=1S/C16H13N5/c1-10-6-12(9-18-20-10)16-19-14-5-2-11(8-17)7-15(14)21(16)13-3-4-13/h2,5-7,9,13H,3-4H2,1H3
PDB

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TBA

Assay Description
Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM287658
PNG
(US10085984, Example 36 | US11040034, Ex. No. 36)
Show SMILES CN1CCN(CC1)c1cc(cnn1)-c1nc2cc(F)c(F)cc2n1C1CC1
Show InChI InChI=1S/C19H20F2N6/c1-25-4-6-26(7-5-25)18-8-12(11-22-24-18)19-23-16-9-14(20)15(21)10-17(16)27(19)13-2-3-13/h8-11,13H,2-7H2,1H3
PDB

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TBA

Assay Description
Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM287659
PNG
(US10085984, Example 37 | US11040034, Ex. No. 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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TBA

Assay Description
Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM287660
PNG
(US10085984, Example 38 | US11040034, Ex. No. 38)
Show SMILES CS(=O)(=O)N1CCN(CC1)c1cc(cnn1)-c1nc2cc(F)c(F)cc2n1C1CC1
Show InChI InChI=1S/C19H20F2N6O2S/c1-30(28,29)26-6-4-25(5-7-26)18-8-12(11-22-24-18)19-23-16-9-14(20)15(21)10-17(16)27(19)13-2-3-13/h8-11,13H,2-7H2,1H3
PDB

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TBA

Assay Description
Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM504360
PNG
(US11040034, Ex. No. 39)
Show SMILES CB(O)N1CCN(CC1)c1cc(cnn1)-c1nc2cc(F)c(F)cc2n1C1CC1
PDB

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TBA

Assay Description
Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM504360
PNG
(US11040034, Ex. No. 39)
Show SMILES CB(O)N1CCN(CC1)c1cc(cnn1)-c1nc2cc(F)c(F)cc2n1C1CC1
PDB

KEGG

UniProtKB/SwissProt

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TBA

Assay Description
Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM287662
PNG
(US10085984, Example 40 | US11040034, Ex. No. 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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TBA

Assay Description
Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM287663
PNG
(US10085984, Example 41 | US11040034, Ex. No. 41)
Show SMILES CCc1cc(cnn1)-c1nc2ccc(cc2n1CC)C#N
Show InChI InChI=1S/C16H15N5/c1-3-13-8-12(10-18-20-13)16-19-14-6-5-11(9-17)7-15(14)21(16)4-2/h5-8,10H,3-4H2,1-2H3
PDB

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TBA

Assay Description
Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM287664
PNG
(US10085984, Example 42 | US11040034, Ex. No. 42)
Show SMILES FC(F)c1cc(cnn1)-c1nc2cc(F)c(F)cc2n1C1CC1
Show InChI InChI=1S/C15H10F4N4/c16-9-4-11-13(5-10(9)17)23(8-1-2-8)15(21-11)7-3-12(14(18)19)22-20-6-7/h3-6,8,14H,1-2H2
PDB

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TBA

Assay Description
Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM287665
PNG
(US10085984, Example 43 | US11040034, Ex. No. 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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TBA

Assay Description
Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM287666
PNG
(US10085984, Example 44 | US11040034, Ex. No. 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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TBA

Assay Description
Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM287667
PNG
(US10085984, Example 45 | US11040034, Ex. No. 45)
Show SMILES Cc1cc(cnn1)-c1nc2ccc(Cl)nc2n1C1CC1
Show InChI InChI=1S/C14H12ClN5/c1-8-6-9(7-16-19-8)13-17-11-4-5-12(15)18-14(11)20(13)10-2-3-10/h4-7,10H,2-3H2,1H3
PDB

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TBA

Assay Description
Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM287668
PNG
(US10085984, Example 46 | US11040034, Ex. No. 46)
Show SMILES Fc1cc2nc(-c3cnnc(c3)N3CCC(F)(F)C3)n(C3CC3)c2cc1F
Show InChI InChI=1S/C18H15F4N5/c19-12-6-14-15(7-13(12)20)27(11-1-2-11)17(24-14)10-5-16(25-23-8-10)26-4-3-18(21,22)9-26/h5-8,11H,1-4,9H2
PDB

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TBA

Assay Description
Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM287669
PNG
(US10085984, Example 47 | US11040034, Ex. No. 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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TBA

Assay Description
Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM287671
PNG
(US10085984, Example 49 | US11040034, Ex. No. 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

UniProtKB/SwissProt

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TBA

Assay Description
Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM287673
PNG
(US10085984, Example 51 | US11040034, Ex. No. 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

UniProtKB/SwissProt

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TBA

Assay Description
Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM504374
PNG
(US11040034, Ex. No. 53)
Show SMILES CC(Oc1cc(cnn1)-c1nc2cc(F)c(F)cc2n1C1CC1)C(F)(F)F
PDB

UniProtKB/SwissProt

antibodypedia
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TBA

Assay Description
Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM504375
PNG
(US11040034, Ex. No. 54)
Show SMILES Cc1cc(cnn1)-c1nc2ccc(nc2n1C1CC1)C#N
PDB

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Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM287679
PNG
(US10085984, Example 57 | US11040034, Ex. No. 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
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Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM287680
PNG
(US10085984, Example 58 | US11040034, Ex. No. 58)
Show SMILES CC(C)c1cnncc1-c1nc2cc(F)c(F)cc2n1C1CC1
Show InChI InChI=1S/C17H16F2N4/c1-9(2)11-7-20-21-8-12(11)17-22-15-5-13(18)14(19)6-16(15)23(17)10-3-4-10/h5-10H,3-4H2,1-2H3
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Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM287681
PNG
(US10085984, Example 59 | US11040034, Ex. No. 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
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Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM287683
PNG
(US10085984, Example 61 | US11040034, Ex. No. 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
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Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM287684
PNG
(US10085984, Example 62 | US11040034, Ex. No. 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
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Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM287685
PNG
(US10085984, Example 63 | US11040034, Ex. No. 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
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Assay Description
Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM287686
PNG
(US10085984, Example 64 | US11040034, Ex. No. 64)
Show SMILES CC(=O)c1cc(cnn1)-c1nc2cc(F)c(F)cc2n1C1CC1
Show InChI InChI=1S/C16H12F2N4O/c1-8(23)13-4-9(7-19-21-13)16-20-14-5-11(17)12(18)6-15(14)22(16)10-2-3-10/h4-7,10H,2-3H2,1H3
PDB

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Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM287688
PNG
(US10085984, Example 66 | US11040034, Ex. No. 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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Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM287689
PNG
(US10085984, Example 67 | US11040034, Ex. No. 67)
Show SMILES CCn1c(nc2cc(F)c(F)cc12)-c1cnnc(c1)C(F)F
Show InChI InChI=1S/C14H10F4N4/c1-2-22-12-5-9(16)8(15)4-10(12)20-14(22)7-3-11(13(17)18)21-19-6-7/h3-6,13H,2H2,1H3
PDB

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Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM287691
PNG
(US10085984, Example 69 | US11040034, Ex. No. 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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Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM287692
PNG
(US10085984, Example 70 | US11040034, Ex. No. 70)
Show SMILES CC(F)(F)c1cc(cnn1)-c1nc2cc(F)c(F)cc2n1C1CC1
Show InChI InChI=1S/C16H12F4N4/c1-16(19,20)14-4-8(7-21-23-14)15-22-12-5-10(17)11(18)6-13(12)24(15)9-2-3-9/h4-7,9H,2-3H2,1H3
PDB

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Assay Description
Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM287693
PNG
(US10085984, Example 71 | US11040034, Ex. No. 71)
Show SMILES Fc1cc2nc(-c3cnnc(CC(F)(F)F)c3)n(C3CC3)c2cc1F
Show InChI InChI=1S/C16H11F5N4/c17-11-4-13-14(5-12(11)18)25(10-1-2-10)15(23-13)8-3-9(24-22-7-8)6-16(19,20)21/h3-5,7,10H,1-2,6H2
PDB

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Assay Description
Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM287694
PNG
(US10085984, Example 72 | US11040034, Ex. No. 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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Assay Description
Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM287696
PNG
(US10085984, Example 74 | US11040034, Ex. No. 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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Assay Description
Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM287697
PNG
(US10085984, Example 75 | US11040034, Ex. No. 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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Assay Description
Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM287698
PNG
(US10085984, Example 76 | US11040034, Ex. No. 76)
Show SMILES FC(F)c1cc(cnn1)-c1nc2ccc(nc2n1C1CC1)C#N
Show InChI InChI=1S/C15H10F2N6/c16-13(17)12-5-8(7-19-22-12)14-21-11-4-1-9(6-18)20-15(11)23(14)10-2-3-10/h1,4-5,7,10,13H,2-3H2
PDB

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Assay Description
Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM287703
PNG
(US10085984, Example 81 | US11040034, Ex. No. 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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Assay Description
Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM287705
PNG
(US10085984, Example 83 | US11040034, Ex. No. 83)
Show SMILES CCS(=O)c1cc(cnn1)-c1nc2cc(F)c(F)cc2n1C1CC1
Show InChI InChI=1S/C16H14F2N4OS/c1-2-24(23)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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Assay Description
Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM504406
PNG
(US11040034, Ex. No. 84)
Show SMILES Clc1ccc2nc(-c3cnnc(c3)C3CC3)n(C3CC3)c2n1
PDB

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Assay Description
Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM287707
PNG
(US10085984, Example 85 | US11040034, Ex. No. 85)
Show SMILES Fc1cc2nc(-c3cnnc(c3)C(F)(F)F)n(C3CC3)c2cc1F
Show InChI InChI=1S/C15H9F5N4/c16-9-4-11-12(5-10(9)17)24(8-1-2-8)14(22-11)7-3-13(15(18,19)20)23-21-6-7/h3-6,8H,1-2H2
PDB

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Assay Description
Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM287708
PNG
(US10085984, Example 86 | US11040034, Ex. No. 86)
Show SMILES FC(F)(F)c1cc(cnn1)-c1nc2ccc(cc2n1C1CC1)C#N
Show InChI InChI=1S/C16H10F3N5/c17-16(18,19)14-6-10(8-21-23-14)15-22-12-4-1-9(7-20)5-13(12)24(15)11-2-3-11/h1,4-6,8,11H,2-3H2
PDB

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Assay Description
Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM287709
PNG
(US10085984, Example 87 | US11040034, Ex. No. 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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Assay Description
Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM287709
PNG
(US10085984, Example 87 | US11040034, Ex. No. 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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Assay Description
Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM287710
PNG
(US10085984, Example 88 | US11040034, Ex. No. 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

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 50n/an/an/an/an/an/a


TBA

Assay Description
Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM287711
PNG
(US10085984, Example 89 | US11040034, Ex. No. 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

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 50n/an/an/an/an/an/a


TBA

Assay Description
Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
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