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Patent code US9271963

Compile Data Set for Download or QSAR
Found 95 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM8611
PNG
(4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...)
Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12
Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2
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US Patent
n/an/a 1n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM8611
PNG
(4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...)
Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12
Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2
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US Patent
n/an/a 1n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM8611
PNG
(4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...)
Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12
Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2
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US Patent
n/an/a 1n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM8611
PNG
(4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...)
Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12
Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2
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US Patent
n/an/a 1n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM8891
PNG
(3-(6-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine |...)
Show SMILES COc1ccc2C=C(CCc2c1)c1cccnc1
Show InChI InChI=1S/C16H15NO/c1-18-16-7-6-12-9-13(4-5-14(12)10-16)15-3-2-8-17-11-15/h2-3,6-11H,4-5H2,1H3
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US Patent
n/an/a 2n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


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


(Homo sapiens (human))
BDBM8909
PNG
(6-(pyridin-3-yl)naphthalene-2-carbonitrile | 6-Pyr...)
Show SMILES N#Cc1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C16H10N2/c17-10-12-3-4-14-9-15(6-5-13(14)8-12)16-2-1-7-18-11-16/h1-9,11H
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n/an/a 3n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


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


(Homo sapiens (human))
BDBM220126
PNG
(US9271963, 34)
Show SMILES COc1ccc2C=C(Cc2c1)c1cccnc1
Show InChI InChI=1S/C15H13NO/c1-17-15-5-4-11-7-13(8-14(11)9-15)12-3-2-6-16-10-12/h2-7,9-10H,8H2,1H3
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US Patent
n/an/a 4n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


Citation and Details
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8889
PNG
(3-(3,4-Dihydronaphthalen-2-yl)pyridine | Dihydrona...)
Show SMILES C1Cc2ccccc2C=C1c1cccnc1
Show InChI InChI=1S/C15H13N/c1-2-5-13-10-14(8-7-12(13)4-1)15-6-3-9-16-11-15/h1-6,9-11H,7-8H2
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n/an/a 4.07n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
The enzyme was obtained from the microsome fraction of fresh human placenta (St. Josephs Krankenhaus, Saarbrucken-Dudweiler, Germany) according to th...


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


(Homo sapiens (human))
BDBM8894
PNG
(3-(3-Methyl-3,4-dihydronaphthalen-2-yl)pyridine | ...)
Show SMILES CC1Cc2ccccc2C=C1c1cccnc1
Show InChI InChI=1S/C16H15N/c1-12-9-13-5-2-3-6-14(13)10-16(12)15-7-4-8-17-11-15/h2-8,10-12H,9H2,1H3
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n/an/a 5n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


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


(Homo sapiens (human))
BDBM8905
PNG
(3-(6-Methoxy-2-naphthyl)pyridine | 3-(6-methoxynap...)
Show SMILES COc1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C16H13NO/c1-18-16-7-6-12-9-13(4-5-14(12)10-16)15-3-2-8-17-11-15/h2-11H,1H3
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US Patent
n/an/a 6n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


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


(Homo sapiens (human))
BDBM8905
PNG
(3-(6-Methoxy-2-naphthyl)pyridine | 3-(6-methoxynap...)
Show SMILES COc1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C16H13NO/c1-18-16-7-6-12-9-13(4-5-14(12)10-16)15-3-2-8-17-11-15/h2-11H,1H3
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US Patent
n/an/a 6.20n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


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


(Homo sapiens (human))
BDBM8889
PNG
(3-(3,4-Dihydronaphthalen-2-yl)pyridine | Dihydrona...)
Show SMILES C1Cc2ccccc2C=C1c1cccnc1
Show InChI InChI=1S/C15H13N/c1-2-5-13-10-14(8-7-12(13)4-1)15-6-3-9-16-11-15/h1-6,9-11H,7-8H2
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US Patent
n/an/a 7n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


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


(Homo sapiens (human))
BDBM8892
PNG
(3-(1-Methyl-3,4-dihydronaphthalen-2-yl)-pyridine |...)
Show SMILES CC1=C(CCc2ccccc12)c1cccnc1
Show InChI InChI=1S/C16H15N/c1-12-15-7-3-2-5-13(15)8-9-16(12)14-6-4-10-17-11-14/h2-7,10-11H,8-9H2,1H3
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US Patent
n/an/a 7n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM8611
PNG
(4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...)
Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12
Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2
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US Patent
n/an/a 9n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM8611
PNG
(4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...)
Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12
Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2
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US Patent
n/an/a 9.70n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM8611
PNG
(4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...)
Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12
Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2
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US Patent
n/an/a 10n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM8611
PNG
(4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...)
Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12
Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2
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US Patent
n/an/a 10n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM8908
PNG
(3-(6-Ethoxy-2-naphthyl)pyridine | 3-(6-ethoxynapht...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C17H15NO/c1-2-19-17-8-7-13-10-14(5-6-15(13)11-17)16-4-3-9-18-12-16/h3-12H,2H2,1H3
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n/an/a 12n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


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


(Homo sapiens (human))
BDBM8910
PNG
(3-(5-Chloro-6-methoxy-2-naphthyl)pyridine | 3-(5-c...)
Show SMILES COc1ccc2cc(ccc2c1Cl)-c1cccnc1
Show InChI InChI=1S/C16H12ClNO/c1-19-15-7-5-12-9-11(4-6-14(12)16(15)17)13-3-2-8-18-10-13/h2-10H,1H3
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n/an/a 13n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


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


(Homo sapiens (human))
BDBM8895
PNG
(3-(4-Methyl-3,4-dihydronaphthalen-2-yl)pyridine | ...)
Show SMILES CC1CC(=Cc2ccccc12)c1cccnc1
Show InChI InChI=1S/C16H15N/c1-12-9-15(14-6-4-8-17-11-14)10-13-5-2-3-7-16(12)13/h2-8,10-12H,9H2,1H3
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n/an/a 13n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


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


(Homo sapiens (human))
BDBM8888
PNG
(3-(1H-Inden-2-yl)pyridine | US9271963, 32 | indene...)
Show SMILES C1C(=Cc2ccccc12)c1cccnc1
Show InChI InChI=1S/C14H11N/c1-2-5-12-9-14(8-11(12)4-1)13-6-3-7-15-10-13/h1-8,10H,9H2
PDB

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US Patent
n/an/a 13.5n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


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


(Homo sapiens (human))
BDBM8907
PNG
(3-(6-Bromo-2-naphthyl)pyridine | 3-(6-bromonaphtha...)
Show SMILES Brc1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C15H10BrN/c16-15-6-5-11-8-12(3-4-13(11)9-15)14-2-1-7-17-10-14/h1-10H
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n/an/a 15n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


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


(Homo sapiens (human))
BDBM8611
PNG
(4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...)
Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12
Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2
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n/an/a 18.7n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
A suspension of fission yeast (S. pombe PE1) with a cell density of 3˙10^7 cells/ml was prepared on a freshly grown culture using fresh EMMG (pH ...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM8906
PNG
(6-(pyridin-3-yl)naphthalen-2-ol | 6-Pyridin-3-ylna...)
Show SMILES Oc1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C15H11NO/c17-15-6-5-11-8-12(3-4-13(11)9-15)14-2-1-7-16-10-14/h1-10,17H
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n/an/a 23n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8913
PNG
(3-(1-Chloro-7-methoxy-2-naphthyl)pyridine | 3-(1-c...)
Show SMILES COc1ccc2ccc(-c3cccnc3)c(Cl)c2c1
Show InChI InChI=1S/C16H12ClNO/c1-19-13-6-4-11-5-7-14(16(17)15(11)9-13)12-3-2-8-18-10-12/h2-10H,1H3
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n/an/a 27n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
A solution of 6.25 nmol of progesterone (in 5 μl of MeOH) was dissolved in 140 μl of phosphate buffer (0.05 M; pH 7.4; 1 mM MgCl2; 0.1 mM EDTA ...


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


(Homo sapiens (human))
BDBM8904
PNG
(3-(2-Naphthyl)pyridine | 3-(naphthalen-2-yl)pyridi...)
Show SMILES c1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C15H11N/c1-2-5-13-10-14(8-7-12(13)4-1)15-6-3-9-16-11-15/h1-11H
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n/an/a 28n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


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


(Homo sapiens (human))
BDBM8912
PNG
(3-(1,5-Dichloro-6-methoxy-2-naphthyl)pyridine | 3-...)
Show SMILES COc1ccc2c(Cl)c(ccc2c1Cl)-c1cccnc1
Show InChI InChI=1S/C16H11Cl2NO/c1-20-14-7-6-12-13(16(14)18)5-4-11(15(12)17)10-3-2-8-19-9-10/h2-9H,1H3
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n/an/a 28n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM8611
PNG
(4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...)
Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12
Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2
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n/an/a 28.3n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
A suspension of fission yeast (S. pombe PE1) with a cell density of 3˙10^7 cells/ml was prepared on a freshly grown culture using fresh EMMG (pH ...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM8904
PNG
(3-(2-Naphthyl)pyridine | 3-(naphthalen-2-yl)pyridi...)
Show SMILES c1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C15H11N/c1-2-5-13-10-14(8-7-12(13)4-1)15-6-3-9-16-11-15/h1-11H
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n/an/a 28.4n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


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


(Homo sapiens (human))
BDBM8913
PNG
(3-(1-Chloro-7-methoxy-2-naphthyl)pyridine | 3-(1-c...)
Show SMILES COc1ccc2ccc(-c3cccnc3)c(Cl)c2c1
Show InChI InChI=1S/C16H12ClNO/c1-19-13-6-4-11-5-7-14(16(17)15(11)9-13)12-3-2-8-18-10-12/h2-10H,1H3
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n/an/a 29n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


Citation and Details
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8611
PNG
(4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...)
Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12
Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2
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n/an/a 29.5n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
The enzyme was obtained from the microsome fraction of fresh human placenta (St. Josephs Krankenhaus, Saarbrucken-Dudweiler, Germany) according to th...


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


(Homo sapiens (human))
BDBM8893
PNG
(3-(1-Ethyl-3,4-dihydronaphthalen-2-yl)-pyridine | ...)
Show SMILES CCC1=C(CCc2ccccc12)c1cccnc1
Show InChI InChI=1S/C17H17N/c1-2-15-16-8-4-3-6-13(16)9-10-17(15)14-7-5-11-18-12-14/h3-8,11-12H,2,9-10H2,1H3
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n/an/a 30n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


Citation and Details
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8611
PNG
(4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...)
Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12
Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2
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n/an/a 30n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
The enzyme was obtained from the microsome fraction of fresh human placenta (St. Josephs Krankenhaus, Saarbrucken-Dudweiler, Germany) according to th...


Citation and Details
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8611
PNG
(4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...)
Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12
Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2
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n/an/a 30n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
The enzyme was obtained from the microsome fraction of fresh human placenta (St. Josephs Krankenhaus, Saarbrucken-Dudweiler, Germany) according to th...


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


(Homo sapiens (human))
BDBM8911
PNG
(3-(5-Bromo-6-methoxy-2-naphthyl)pyridine | 3-(5-br...)
Show SMILES COc1ccc2cc(ccc2c1Br)-c1cccnc1
Show InChI InChI=1S/C16H12BrNO/c1-19-15-7-5-12-9-11(4-6-14(12)16(15)17)13-3-2-8-18-10-13/h2-10H,1H3
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n/an/a 33n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


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


(Homo sapiens (human))
BDBM8916
PNG
(1-(2-Naphthyl)-1H-imidazole | 1-(naphthalen-2-yl)-...)
Show SMILES c1cn(cn1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C13H10N2/c1-2-4-12-9-13(6-5-11(12)3-1)15-8-7-14-10-15/h1-10H
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n/an/a 38n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


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


(Homo sapiens (human))
BDBM8917
PNG
(1-(3-methoxynaphthalen-2-yl)-1H-imidazole | Imidaz...)
Show SMILES COc1cc2ccccc2cc1-n1ccnc1
Show InChI InChI=1S/C14H12N2O/c1-17-14-9-12-5-3-2-4-11(12)8-13(14)16-7-6-15-10-16/h2-10H,1H3
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n/an/a 40n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


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


(Homo sapiens (human))
BDBM8914
PNG
(Methyl 6-pyridin-3-yl-2-naphthoate | Pyridine-subs...)
Show SMILES COC(=O)c1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C17H13NO2/c1-20-17(19)15-7-6-12-9-14(5-4-13(12)10-15)16-3-2-8-18-11-16/h2-11H,1H3
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n/an/a 73n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM151585
PNG
(US8987315, Ketoconazole | US9180183, Ketoconazole ...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCC2COC(Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3
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n/an/a 80.5n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
A solution of 6.25 nmol of progesterone (in 5 μl of MeOH) was dissolved in 140 μl of phosphate buffer (0.05 M; pH 7.4; 1 mM MgCl2; 0.1 mM EDTA ...


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


(Homo sapiens (human))
BDBM151585
PNG
(US8987315, Ketoconazole | US9180183, Ketoconazole ...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCC2COC(Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3
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n/an/a 81n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


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


(Homo sapiens (human))
BDBM151585
PNG
(US8987315, Ketoconazole | US9180183, Ketoconazole ...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCC2COC(Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3
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n/an/a 81n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


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


(Homo sapiens (human))
BDBM8905
PNG
(3-(6-Methoxy-2-naphthyl)pyridine | 3-(6-methoxynap...)
Show SMILES COc1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C16H13NO/c1-18-16-7-6-12-9-13(4-5-14(12)10-16)15-3-2-8-17-11-15/h2-11H,1H3
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n/an/a 100n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
A suspension of fission yeast (S. pombe PE1) with a cell density of 3˙10^7 cells/ml was prepared on a freshly grown culture using fresh EMMG (pH ...


Citation and Details
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8917
PNG
(1-(3-methoxynaphthalen-2-yl)-1H-imidazole | Imidaz...)
Show SMILES COc1cc2ccccc2cc1-n1ccnc1
Show InChI InChI=1S/C14H12N2O/c1-17-14-9-12-5-3-2-4-11(12)8-13(14)16-7-6-15-10-16/h2-10H,1H3
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n/an/a 129n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
The enzyme was obtained from the microsome fraction of fresh human placenta (St. Josephs Krankenhaus, Saarbrucken-Dudweiler, Germany) according to th...


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


(Homo sapiens (human))
BDBM8904
PNG
(3-(2-Naphthyl)pyridine | 3-(naphthalen-2-yl)pyridi...)
Show SMILES c1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C15H11N/c1-2-5-13-10-14(8-7-12(13)4-1)15-6-3-9-16-11-15/h1-11H
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n/an/a 164n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
A suspension of fission yeast (S. pombe PE1) with a cell density of 3˙10^7 cells/ml was prepared on a freshly grown culture using fresh EMMG (pH ...


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM220125
PNG
(US9271963, 27)
Show SMILES c1ncc([nH]1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C13H10N2/c1-2-4-11-7-12(6-5-10(11)3-1)13-8-14-9-15-13/h1-9H,(H,14,15)
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n/an/a 206n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM8891
PNG
(3-(6-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine |...)
Show SMILES COc1ccc2C=C(CCc2c1)c1cccnc1
Show InChI InChI=1S/C16H15NO/c1-18-16-7-6-12-9-13(4-5-14(12)10-16)15-3-2-8-17-11-15/h2-3,6-11H,4-5H2,1H3
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n/an/a 213n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM151585
PNG
(US8987315, Ketoconazole | US9180183, Ketoconazole ...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCC2COC(Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3
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n/an/a 224n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM151585
PNG
(US8987315, Ketoconazole | US9180183, Ketoconazole ...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCC2COC(Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3
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n/an/a 224n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8912
PNG
(3-(1,5-Dichloro-6-methoxy-2-naphthyl)pyridine | 3-...)
Show SMILES COc1ccc2c(Cl)c(ccc2c1Cl)-c1cccnc1
Show InChI InChI=1S/C16H11Cl2NO/c1-20-14-7-6-12-13(16(14)18)5-4-11(15(12)17)10-3-2-8-19-9-10/h2-9H,1H3
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n/an/a 233n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
A solution of 6.25 nmol of progesterone (in 5 μl of MeOH) was dissolved in 140 μl of phosphate buffer (0.05 M; pH 7.4; 1 mM MgCl2; 0.1 mM EDTA ...


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM8889
PNG
(3-(3,4-Dihydronaphthalen-2-yl)pyridine | Dihydrona...)
Show SMILES C1Cc2ccccc2C=C1c1cccnc1
Show InChI InChI=1S/C15H13N/c1-2-5-13-10-14(8-7-12(13)4-1)15-6-3-9-16-11-15/h1-6,9-11H,7-8H2
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n/an/a 411n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM8895
PNG
(3-(4-Methyl-3,4-dihydronaphthalen-2-yl)pyridine | ...)
Show SMILES CC1CC(=Cc2ccccc12)c1cccnc1
Show InChI InChI=1S/C16H15N/c1-12-9-15(14-6-4-8-17-11-14)10-13-5-2-3-7-16(12)13/h2-8,10-12H,9H2,1H3
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n/an/a 437n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM8894
PNG
(3-(3-Methyl-3,4-dihydronaphthalen-2-yl)pyridine | ...)
Show SMILES CC1Cc2ccccc2C=C1c1cccnc1
Show InChI InChI=1S/C16H15N/c1-12-9-13-5-2-3-6-14(13)10-16(12)15-7-4-8-17-11-15/h2-8,10-12H,9H2,1H3
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n/an/a 503n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


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


(Homo sapiens (human))
BDBM8905
PNG
(3-(6-Methoxy-2-naphthyl)pyridine | 3-(6-methoxynap...)
Show SMILES COc1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C16H13NO/c1-18-16-7-6-12-9-13(4-5-14(12)10-16)15-3-2-8-17-11-15/h2-11H,1H3
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n/an/a 559n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
A suspension of fission yeast (S. pombe PE1) with a cell density of 3˙10^7 cells/ml was prepared on a freshly grown culture using fresh EMMG (pH ...


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM8910
PNG
(3-(5-Chloro-6-methoxy-2-naphthyl)pyridine | 3-(5-c...)
Show SMILES COc1ccc2cc(ccc2c1Cl)-c1cccnc1
Show InChI InChI=1S/C16H12ClNO/c1-19-15-7-5-12-9-11(4-6-14(12)16(15)17)13-3-2-8-18-10-13/h2-10H,1H3
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n/an/a 569n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM8905
PNG
(3-(6-Methoxy-2-naphthyl)pyridine | 3-(6-methoxynap...)
Show SMILES COc1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C16H13NO/c1-18-16-7-6-12-9-13(4-5-14(12)10-16)15-3-2-8-17-11-15/h2-11H,1H3
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n/an/a 574n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM8905
PNG
(3-(6-Methoxy-2-naphthyl)pyridine | 3-(6-methoxynap...)
Show SMILES COc1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C16H13NO/c1-18-16-7-6-12-9-13(4-5-14(12)10-16)15-3-2-8-17-11-15/h2-11H,1H3
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n/an/a 574n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


Citation and Details
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8905
PNG
(3-(6-Methoxy-2-naphthyl)pyridine | 3-(6-methoxynap...)
Show SMILES COc1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C16H13NO/c1-18-16-7-6-12-9-13(4-5-14(12)10-16)15-3-2-8-17-11-15/h2-11H,1H3
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n/an/a 586n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
The enzyme was obtained from the microsome fraction of fresh human placenta (St. Josephs Krankenhaus, Saarbrucken-Dudweiler, Germany) according to th...


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM8898
PNG
(1-(3,4-Dihydronaphthalen-2-yl)-1H-imidazole | Dihy...)
Show SMILES C1Cc2ccccc2C=C1n1ccnc1
Show InChI InChI=1S/C13H12N2/c1-2-4-12-9-13(6-5-11(12)3-1)15-8-7-14-10-15/h1-4,7-10H,5-6H2
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n/an/a 638n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8905
PNG
(3-(6-Methoxy-2-naphthyl)pyridine | 3-(6-methoxynap...)
Show SMILES COc1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C16H13NO/c1-18-16-7-6-12-9-13(4-5-14(12)10-16)15-3-2-8-17-11-15/h2-11H,1H3
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n/an/a 667n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
A solution of 6.25 nmol of progesterone (in 5 μl of MeOH) was dissolved in 140 μl of phosphate buffer (0.05 M; pH 7.4; 1 mM MgCl2; 0.1 mM EDTA ...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8909
PNG
(6-(pyridin-3-yl)naphthalene-2-carbonitrile | 6-Pyr...)
Show SMILES N#Cc1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C16H10N2/c17-10-12-3-4-14-9-15(6-5-13(14)8-12)16-2-1-7-18-11-16/h1-9,11H
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n/an/a 686n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
A solution of 6.25 nmol of progesterone (in 5 μl of MeOH) was dissolved in 140 μl of phosphate buffer (0.05 M; pH 7.4; 1 mM MgCl2; 0.1 mM EDTA ...


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM8909
PNG
(6-(pyridin-3-yl)naphthalene-2-carbonitrile | 6-Pyr...)
Show SMILES N#Cc1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C16H10N2/c17-10-12-3-4-14-9-15(6-5-13(14)8-12)16-2-1-7-18-11-16/h1-9,11H
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n/an/a 691n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM8906
PNG
(6-(pyridin-3-yl)naphthalen-2-ol | 6-Pyridin-3-ylna...)
Show SMILES Oc1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C15H11NO/c17-15-6-5-11-8-12(3-4-13(11)9-15)14-2-1-7-16-10-14/h1-10,17H
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n/an/a 715n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM8899
PNG
(1-(6-Methoxy-3,4-dihydronaphthalen-2-yl)-1H-imidaz...)
Show SMILES COc1ccc2C=C(CCc2c1)n1ccnc1
Show InChI InChI=1S/C14H14N2O/c1-17-14-5-3-11-8-13(4-2-12(11)9-14)16-7-6-15-10-16/h3,5-10H,2,4H2,1H3
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n/an/a 763n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM8913
PNG
(3-(1-Chloro-7-methoxy-2-naphthyl)pyridine | 3-(1-c...)
Show SMILES COc1ccc2ccc(-c3cccnc3)c(Cl)c2c1
Show InChI InChI=1S/C16H12ClNO/c1-19-13-6-4-11-5-7-14(16(17)15(11)9-13)12-3-2-8-18-10-12/h2-10H,1H3
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n/an/a 771n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM8928
PNG
(5-(2-Naphthyl)-1,3-oxazole | 5-(naphthalen-2-yl)-1...)
Show SMILES c1ncc(o1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C13H9NO/c1-2-4-11-7-12(6-5-10(11)3-1)13-8-14-9-15-13/h1-9H
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n/an/a 805n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


Citation and Details
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8891
PNG
(3-(6-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine |...)
Show SMILES COc1ccc2C=C(CCc2c1)c1cccnc1
Show InChI InChI=1S/C16H15NO/c1-18-16-7-6-12-9-13(4-5-14(12)10-16)15-3-2-8-17-11-15/h2-3,6-11H,4-5H2,1H3
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n/an/a 814n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
The enzyme was obtained from the microsome fraction of fresh human placenta (St. Josephs Krankenhaus, Saarbrucken-Dudweiler, Germany) according to th...


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM8888
PNG
(3-(1H-Inden-2-yl)pyridine | US9271963, 32 | indene...)
Show SMILES C1C(=Cc2ccccc12)c1cccnc1
Show InChI InChI=1S/C14H11N/c1-2-5-12-9-14(8-11(12)4-1)13-6-3-7-15-10-13/h1-8,10H,9H2
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n/an/a 862n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM8908
PNG
(3-(6-Ethoxy-2-naphthyl)pyridine | 3-(6-ethoxynapht...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C17H15NO/c1-2-19-17-8-7-13-10-14(5-6-15(13)11-17)16-4-3-9-18-12-16/h3-12H,2H2,1H3
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US Patent
n/an/a 883n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM8907
PNG
(3-(6-Bromo-2-naphthyl)pyridine | 3-(6-bromonaphtha...)
Show SMILES Brc1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C15H10BrN/c16-15-6-5-11-8-12(3-4-13(11)9-15)14-2-1-7-17-10-14/h1-10H
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n/an/a 899n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


Citation and Details
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8912
PNG
(3-(1,5-Dichloro-6-methoxy-2-naphthyl)pyridine | 3-...)
Show SMILES COc1ccc2c(Cl)c(ccc2c1Cl)-c1cccnc1
Show InChI InChI=1S/C16H11Cl2NO/c1-20-14-7-6-12-13(16(14)18)5-4-11(15(12)17)10-3-2-8-19-9-10/h2-9H,1H3
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n/an/a 970n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
The enzyme was obtained from the microsome fraction of fresh human placenta (St. Josephs Krankenhaus, Saarbrucken-Dudweiler, Germany) according to th...


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM8916
PNG
(1-(2-Naphthyl)-1H-imidazole | 1-(naphthalen-2-yl)-...)
Show SMILES c1cn(cn1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C13H10N2/c1-2-4-12-9-13(6-5-11(12)3-1)15-8-7-14-10-15/h1-10H
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n/an/a 1.05E+3n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8892
PNG
(3-(1-Methyl-3,4-dihydronaphthalen-2-yl)-pyridine |...)
Show SMILES CC1=C(CCc2ccccc12)c1cccnc1
Show InChI InChI=1S/C16H15N/c1-12-15-7-3-2-5-13(15)8-9-16(12)14-6-4-10-17-11-14/h2-7,10-11H,8-9H2,1H3
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n/an/a 1.09E+3n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
A solution of 6.25 nmol of progesterone (in 5 μl of MeOH) was dissolved in 140 μl of phosphate buffer (0.05 M; pH 7.4; 1 mM MgCl2; 0.1 mM EDTA ...


Citation and Details
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8914
PNG
(Methyl 6-pyridin-3-yl-2-naphthoate | Pyridine-subs...)
Show SMILES COC(=O)c1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C17H13NO2/c1-20-17(19)15-7-6-12-9-14(5-4-13(12)10-15)16-3-2-8-18-11-16/h2-11H,1H3
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n/an/a 1.25E+3n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
The enzyme was obtained from the microsome fraction of fresh human placenta (St. Josephs Krankenhaus, Saarbrucken-Dudweiler, Germany) according to th...


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM8892
PNG
(3-(1-Methyl-3,4-dihydronaphthalen-2-yl)-pyridine |...)
Show SMILES CC1=C(CCc2ccccc12)c1cccnc1
Show InChI InChI=1S/C16H15N/c1-12-15-7-3-2-5-13(15)8-9-16(12)14-6-4-10-17-11-14/h2-7,10-11H,8-9H2,1H3
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n/an/a 1.27E+3n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


Citation and Details
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8893
PNG
(3-(1-Ethyl-3,4-dihydronaphthalen-2-yl)-pyridine | ...)
Show SMILES CCC1=C(CCc2ccccc12)c1cccnc1
Show InChI InChI=1S/C17H17N/c1-2-15-16-8-4-3-6-13(16)9-10-17(15)14-7-5-11-18-12-14/h3-8,11-12H,2,9-10H2,1H3
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n/an/a 1.51E+3n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
The enzyme was obtained from the microsome fraction of fresh human placenta (St. Josephs Krankenhaus, Saarbrucken-Dudweiler, Germany) according to th...


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM8911
PNG
(3-(5-Bromo-6-methoxy-2-naphthyl)pyridine | 3-(5-br...)
Show SMILES COc1ccc2cc(ccc2c1Br)-c1cccnc1
Show InChI InChI=1S/C16H12BrNO/c1-19-15-7-5-12-9-11(4-6-14(12)16(15)17)13-3-2-8-18-10-13/h2-10H,1H3
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n/an/a 1.53E+3n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM8912
PNG
(3-(1,5-Dichloro-6-methoxy-2-naphthyl)pyridine | 3-...)
Show SMILES COc1ccc2c(Cl)c(ccc2c1Cl)-c1cccnc1
Show InChI InChI=1S/C16H11Cl2NO/c1-20-14-7-6-12-13(16(14)18)5-4-11(15(12)17)10-3-2-8-19-9-10/h2-9H,1H3
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n/an/a 1.55E+3n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


Citation and Details
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8894
PNG
(3-(3-Methyl-3,4-dihydronaphthalen-2-yl)pyridine | ...)
Show SMILES CC1Cc2ccccc2C=C1c1cccnc1
Show InChI InChI=1S/C16H15N/c1-12-9-13-5-2-3-6-14(13)10-16(12)15-7-4-8-17-11-15/h2-8,10-12H,9H2,1H3
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n/an/a 1.79E+3n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
The enzyme was obtained from the microsome fraction of fresh human placenta (St. Josephs Krankenhaus, Saarbrucken-Dudweiler, Germany) according to th...


Citation and Details
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8910
PNG
(3-(5-Chloro-6-methoxy-2-naphthyl)pyridine | 3-(5-c...)
Show SMILES COc1ccc2cc(ccc2c1Cl)-c1cccnc1
Show InChI InChI=1S/C16H12ClNO/c1-19-15-7-5-12-9-11(4-6-14(12)16(15)17)13-3-2-8-18-10-13/h2-10H,1H3
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n/an/a 1.81E+3n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
The enzyme was obtained from the microsome fraction of fresh human placenta (St. Josephs Krankenhaus, Saarbrucken-Dudweiler, Germany) according to th...


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


(Homo sapiens (human))
BDBM8904
PNG
(3-(2-Naphthyl)pyridine | 3-(naphthalen-2-yl)pyridi...)
Show SMILES c1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C15H11N/c1-2-5-13-10-14(8-7-12(13)4-1)15-6-3-9-16-11-15/h1-11H
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n/an/a 2.11E+3n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
A suspension of fission yeast (S. pombe PE1) with a cell density of 3˙10^7 cells/ml was prepared on a freshly grown culture using fresh EMMG (pH ...


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM8893
PNG
(3-(1-Ethyl-3,4-dihydronaphthalen-2-yl)-pyridine | ...)
Show SMILES CCC1=C(CCc2ccccc12)c1cccnc1
Show InChI InChI=1S/C17H17N/c1-2-15-16-8-4-3-6-13(16)9-10-17(15)14-7-5-11-18-12-14/h3-8,11-12H,2,9-10H2,1H3
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n/an/a 2.12E+3n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM8904
PNG
(3-(2-Naphthyl)pyridine | 3-(naphthalen-2-yl)pyridi...)
Show SMILES c1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C15H11N/c1-2-5-13-10-14(8-7-12(13)4-1)15-6-3-9-16-11-15/h1-11H
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n/an/a 2.40E+3n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM8904
PNG
(3-(2-Naphthyl)pyridine | 3-(naphthalen-2-yl)pyridi...)
Show SMILES c1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C15H11N/c1-2-5-13-10-14(8-7-12(13)4-1)15-6-3-9-16-11-15/h1-11H
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n/an/a 2.40E+3n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


Citation and Details
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8916
PNG
(1-(2-Naphthyl)-1H-imidazole | 1-(naphthalen-2-yl)-...)
Show SMILES c1cn(cn1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C13H10N2/c1-2-4-12-9-13(6-5-11(12)3-1)15-8-7-14-10-15/h1-10H
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n/an/a 2.82E+3n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
The enzyme was obtained from the microsome fraction of fresh human placenta (St. Josephs Krankenhaus, Saarbrucken-Dudweiler, Germany) according to th...


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM8905
PNG
(3-(6-Methoxy-2-naphthyl)pyridine | 3-(6-methoxynap...)
Show SMILES COc1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C16H13NO/c1-18-16-7-6-12-9-13(4-5-14(12)10-16)15-3-2-8-17-11-15/h2-11H,1H3
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n/an/a 2.95E+3n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
A suspension of fission yeast (S. pombe PE1) with a cell density of 3˙10^7 cells/ml was prepared on a freshly grown culture using fresh EMMG (pH ...


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM8904
PNG
(3-(2-Naphthyl)pyridine | 3-(naphthalen-2-yl)pyridi...)
Show SMILES c1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C15H11N/c1-2-5-13-10-14(8-7-12(13)4-1)15-6-3-9-16-11-15/h1-11H
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n/an/a 3.45E+3n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
A suspension of fission yeast (S. pombe PE1) with a cell density of 3˙10^7 cells/ml was prepared on a freshly grown culture using fresh EMMG (pH ...


Citation and Details
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8895
PNG
(3-(4-Methyl-3,4-dihydronaphthalen-2-yl)pyridine | ...)
Show SMILES CC1CC(=Cc2ccccc12)c1cccnc1
Show InChI InChI=1S/C16H15N/c1-12-9-15(14-6-4-8-17-11-14)10-13-5-2-3-7-16(12)13/h2-8,10-12H,9H2,1H3
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n/an/a 3.55E+3n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
The enzyme was obtained from the microsome fraction of fresh human placenta (St. Josephs Krankenhaus, Saarbrucken-Dudweiler, Germany) according to th...


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM8917
PNG
(1-(3-methoxynaphthalen-2-yl)-1H-imidazole | Imidaz...)
Show SMILES COc1cc2ccccc2cc1-n1ccnc1
Show InChI InChI=1S/C14H12N2O/c1-17-14-9-12-5-3-2-4-11(12)8-13(14)16-7-6-15-10-16/h2-10H,1H3
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n/an/a 5.02E+3n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM220126
PNG
(US9271963, 34)
Show SMILES COc1ccc2C=C(Cc2c1)c1cccnc1
Show InChI InChI=1S/C15H13NO/c1-17-15-5-4-11-7-13(8-14(11)9-15)12-3-2-6-16-10-12/h2-7,9-10H,8H2,1H3
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n/an/a 5.68E+3n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


Citation and Details
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8904
PNG
(3-(2-Naphthyl)pyridine | 3-(naphthalen-2-yl)pyridi...)
Show SMILES c1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C15H11N/c1-2-5-13-10-14(8-7-12(13)4-1)15-6-3-9-16-11-15/h1-11H
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n/an/a 5.73E+3n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
The enzyme was obtained from the microsome fraction of fresh human placenta (St. Josephs Krankenhaus, Saarbrucken-Dudweiler, Germany) according to th...


Citation and Details
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8892
PNG
(3-(1-Methyl-3,4-dihydronaphthalen-2-yl)-pyridine |...)
Show SMILES CC1=C(CCc2ccccc12)c1cccnc1
Show InChI InChI=1S/C16H15N/c1-12-15-7-3-2-5-13(15)8-9-16(12)14-6-4-10-17-11-14/h2-7,10-11H,8-9H2,1H3
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n/an/a 6.05E+3n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
The enzyme was obtained from the microsome fraction of fresh human placenta (St. Josephs Krankenhaus, Saarbrucken-Dudweiler, Germany) according to th...


Citation and Details
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8908
PNG
(3-(6-Ethoxy-2-naphthyl)pyridine | 3-(6-ethoxynapht...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C17H15NO/c1-2-19-17-8-7-13-10-14(5-6-15(13)11-17)16-4-3-9-18-12-16/h3-12H,2H2,1H3
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n/an/a 6.64E+3n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
The enzyme was obtained from the microsome fraction of fresh human placenta (St. Josephs Krankenhaus, Saarbrucken-Dudweiler, Germany) according to th...


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More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8911
PNG
(3-(5-Bromo-6-methoxy-2-naphthyl)pyridine | 3-(5-br...)
Show SMILES COc1ccc2cc(ccc2c1Br)-c1cccnc1
Show InChI InChI=1S/C16H12BrNO/c1-19-15-7-5-12-9-11(4-6-14(12)16(15)17)13-3-2-8-18-10-13/h2-10H,1H3
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n/an/a 9.11E+3n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
The enzyme was obtained from the microsome fraction of fresh human placenta (St. Josephs Krankenhaus, Saarbrucken-Dudweiler, Germany) according to th...


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM8914
PNG
(Methyl 6-pyridin-3-yl-2-naphthoate | Pyridine-subs...)
Show SMILES COC(=O)c1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C17H13NO2/c1-20-17(19)15-7-6-12-9-14(5-4-13(12)10-15)16-3-2-8-18-11-16/h2-11H,1H3
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n/an/a 1.05E+4n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


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


(Homo sapiens (human))
BDBM8611
PNG
(4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...)
Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12
Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2
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n/an/a 2.09E+4n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
A suspension of fission yeast (S. pombe PE1) with a cell density of 3˙10^7 cells/ml was prepared on a freshly grown culture using fresh EMMG (pH ...


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Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%