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Compile Data Set for Download or QSAR

Found 134 hits Enz. Inhib. hit(s) with all data for entry = 1068   
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))		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 1n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...

J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM8586
PNG
((3-Pyridylmethylene)indane 5a | 3-{[(1E)-5-fluoro-...)
Show SMILES Fc1ccc2\C(CCc2c1)=C\c1cccnc1
Show InChI InChI=1S/C15H12FN/c16-14-5-6-15-12(3-4-13(15)9-14)8-11-2-1-7-17-10-11/h1-2,5-10H,3-4H2/b12-8+
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n/an/a 7n/an/an/an/a7.437



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...

J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM8608
PNG
((3-Pyridylmethylene)indane 25a | 3-{[(1E)-4-chloro...)
Show SMILES Clc1cccc2\C(CCc12)=C\c1cccnc1
Show InChI InChI=1S/C15H12ClN/c16-15-5-1-4-13-12(6-7-14(13)15)9-11-3-2-8-17-10-11/h1-5,8-10H,6-7H2/b12-9+
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n/an/a 9n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...

J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(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 10n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...

J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM8581
PNG
((3-Pyridylmethylene)indane 1a | 3-[(1E)-2,3-dihydr...)
Show SMILES C1Cc2ccccc2\C1=C\c1cccnc1
Show InChI InChI=1S/C15H13N/c1-2-6-15-13(5-1)7-8-14(15)10-12-4-3-9-16-11-12/h1-6,9-11H,7-8H2/b14-10+
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n/an/a 11n/an/an/an/a7.437



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...

J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM8587
PNG
((3-Pyridylmethylene)indane 5b | 3-{[(1Z)-5-fluoro-...)
Show SMILES Fc1ccc2\C(CCc2c1)=C/c1cccnc1
Show InChI InChI=1S/C15H12FN/c16-14-5-6-15-12(3-4-13(15)9-14)8-11-2-1-7-17-10-11/h1-2,5-10H,3-4H2/b12-8-
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n/an/a 11n/an/an/an/a7.437



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...

J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM8607
PNG
((3-Pyridylmethylene)indane 24a | 3-{[(1E)-4-fluoro...)
Show SMILES Fc1cccc2\C(CCc12)=C\c1cccnc1
Show InChI InChI=1S/C15H12FN/c16-15-5-1-4-13-12(6-7-14(13)15)9-11-3-2-8-17-10-11/h1-5,8-10H,6-7H2/b12-9+
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n/an/a 21n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...

J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM8584
PNG
((3-Pyridylmethylene)tetrahydronaphthalene 3a | 3-[...)
Show SMILES C1C\C(=C/c2cccnc2)c2ccccc2C1
Show InChI InChI=1S/C16H15N/c1-2-9-16-14(6-1)7-3-8-15(16)11-13-5-4-10-17-12-13/h1-2,4-6,9-12H,3,7-8H2/b15-11+
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n/an/a 22n/an/an/an/a7.437



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...

J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM8588
PNG
((3-Pyridylmethylene)indane 7a | 3-{[(1E)-5-chloro-...)
Show SMILES Clc1ccc2\C(CCc2c1)=C\c1cccnc1
Show InChI InChI=1S/C15H12ClN/c16-14-5-6-15-12(3-4-13(15)9-14)8-11-2-1-7-17-10-11/h1-2,5-10H,3-4H2/b12-8+
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n/an/a 26n/an/an/an/a7.437



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...

J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM8640
PNG
((isoquinolinemethylene)indane 30b | 5-{[(1Z)-5-flu...)
Show SMILES Fc1ccc2\C(CCc2c1)=C/c1cccc2cnccc12
Show InChI InChI=1S/C19H14FN/c20-17-6-7-18-14(4-5-15(18)11-17)10-13-2-1-3-16-12-21-9-8-19(13)16/h1-3,6-12H,4-5H2/b14-10-
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n/an/a 26n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...

J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM8594
PNG
((3-Pyridylmethylene)indane 11b | 3-{[(1Z)-5-methox...)
Show SMILES COc1ccc2\C(CCc2c1)=C/c1cccnc1
Show InChI InChI=1S/C16H15NO/c1-18-15-6-7-16-13(4-5-14(16)10-15)9-12-3-2-8-17-11-12/h2-3,6-11H,4-5H2,1H3/b13-9-
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n/an/a 26n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...

J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM8600
PNG
((3-Pyridylmethylene)indane 26a | 3-{[(1E)-7-methox...)
Show SMILES COc1cccc2CC\C(=C/c3cccnc3)c12
Show InChI InChI=1S/C16H15NO/c1-18-15-6-2-5-13-7-8-14(16(13)15)10-12-4-3-9-17-11-12/h2-6,9-11H,7-8H2,1H3/b14-10+
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n/an/a 27n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...

J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM8631
PNG
((5-pyrimidylmethylene)indane 28a | 5-{[(1E)-5-fluo...)
Show SMILES Fc1ccc2\C(CCc2c1)=C\c1cncnc1
Show InChI InChI=1S/C14H11FN2/c15-13-3-4-14-11(1-2-12(14)6-13)5-10-7-16-9-17-8-10/h3-9H,1-2H2/b11-5+
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n/an/a 27n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...

J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Aromatase


(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



Saarland University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...

J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Aromatase


(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



Saarland University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...

J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM8609
PNG
((3-Pyridylmethylene)indane 25b | 3-{[(1Z)-4-chloro...)
Show SMILES Clc1cccc2\C(CCc12)=C/c1cccnc1
Show InChI InChI=1S/C15H12ClN/c16-15-5-1-4-13-12(6-7-14(13)15)9-11-3-2-8-17-10-11/h1-5,8-10H,6-7H2/b12-9-
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n/an/a 31n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...

J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM8615
PNG
((4-Pyridylmethylene)indane 6b | 4-{[(1Z)-5-fluoro-...)
Show SMILES Fc1ccc2\C(CCc2c1)=C/c1ccncc1
Show InChI InChI=1S/C15H12FN/c16-14-3-4-15-12(1-2-13(15)10-14)9-11-5-7-17-8-6-11/h3-10H,1-2H2/b12-9-
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n/an/a 34n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...

J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM8593
PNG
((3-Pyridylmethylene)indane 11a | 3-{[(1E)-5-methox...)
Show SMILES COc1ccc2\C(CCc2c1)=C\c1cccnc1
Show InChI InChI=1S/C16H15NO/c1-18-15-6-7-16-13(4-5-14(16)10-15)9-12-3-2-8-17-11-12/h2-3,6-11H,4-5H2,1H3/b13-9+
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n/an/a 34n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...

J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM8590
PNG
((3-Pyridylmethylene)indane 9a | 3-{[(1E)-5-bromo-2...)
Show SMILES Brc1ccc2\C(CCc2c1)=C\c1cccnc1
Show InChI InChI=1S/C15H12BrN/c16-14-5-6-15-12(3-4-13(15)9-14)8-11-2-1-7-17-10-11/h1-2,5-10H,3-4H2/b12-8+
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n/an/a 37n/an/an/an/a7.437



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...

J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM8595
PNG
((3-Pyridylmethylene)tetrahydronaphthalene 13a | 3-...)
Show SMILES COc1ccc2\C(CCCc2c1)=C\c1cccnc1
Show InChI InChI=1S/C17H17NO/c1-19-16-7-8-17-14(5-2-6-15(17)11-16)10-13-4-3-9-18-12-13/h3-4,7-12H,2,5-6H2,1H3/b14-10+
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n/an/a 57n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...

J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM8639
PNG
((isoquinolinemethylene)indane 30a | 5-{[(1E)-5-flu...)
Show SMILES Fc1ccc2\C(CCc2c1)=C\c1cccc2cnccc12
Show InChI InChI=1S/C19H14FN/c20-17-6-7-18-14(4-5-15(18)11-17)10-13-2-1-3-16-12-21-9-8-19(13)16/h1-3,6-12H,4-5H2/b14-10+
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n/an/a 58n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...

J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM8589
PNG
((3-Pyridylmethylene)indane 7b | 3-{[(1Z)-5-chloro-...)
Show SMILES Clc1ccc2\C(CCc2c1)=C/c1cccnc1
Show InChI InChI=1S/C15H12ClN/c16-14-5-6-15-12(3-4-13(15)9-14)8-11-2-1-7-17-10-11/h1-2,5-10H,3-4H2/b12-8-
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n/an/a 73n/an/an/an/a7.437



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...

J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM8597
PNG
((3-Pyridylmethylene)indane 19a | 3-{[(1E)-5-ethoxy...)
Show SMILES CCOc1ccc2\C(CCc2c1)=C\c1cccnc1
Show InChI InChI=1S/C17H17NO/c1-2-19-16-7-8-17-14(5-6-15(17)11-16)10-13-4-3-9-18-12-13/h3-4,7-12H,2,5-6H2,1H3/b14-10+
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n/an/a 79n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...

J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM8610
PNG
(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)
Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r|
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/t23-,26-/m0/s1
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n/an/a 81n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...

J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM8583
PNG
((3-Pyridylmethylene)indane 1b | 3-[(1Z)-2,3-dihydr...)
Show SMILES C1Cc2ccccc2\C1=C/c1cccnc1
Show InChI InChI=1S/C15H13N/c1-2-6-15-13(5-1)7-8-14(15)10-12-4-3-9-16-11-12/h1-6,9-11H,7-8H2/b14-10-
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n/an/a 87n/an/an/an/a7.437



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...

J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM8628
PNG
((4-Pyridylmethylene)tetrahydronaphthalene 18a | 4-...)
Show SMILES COc1cc2CCC\C(=C/c3ccncc3)c2cc1OC
Show InChI InChI=1S/C18H19NO2/c1-20-17-11-15-5-3-4-14(16(15)12-18(17)21-2)10-13-6-8-19-9-7-13/h6-12H,3-5H2,1-2H3/b14-10+
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n/an/a 90n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...

J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM8583
PNG
((3-Pyridylmethylene)indane 1b | 3-[(1Z)-2,3-dihydr...)
Show SMILES C1Cc2ccccc2\C1=C/c1cccnc1
Show InChI InChI=1S/C15H13N/c1-2-6-15-13(5-1)7-8-14(15)10-12-4-3-9-16-11-12/h1-6,9-11H,7-8H2/b14-10-
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n/an/a 92n/an/an/an/a7.437



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...

J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM8645
PNG
(4-(2,2-diphenylethenyl)pyridine | 4-Pyridylmethyle...)
Show SMILES C(=C(c1ccccc1)c1ccccc1)c1ccncc1 |w:0.15|
Show InChI InChI=1S/C19H15N/c1-3-7-17(8-4-1)19(18-9-5-2-6-10-18)15-16-11-13-20-14-12-16/h1-15H
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n/an/a 100n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...

J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM8599
PNG
((3-Pyridylmethylene)indane 23a | 3-{[(1E)-4-methyl...)
Show SMILES Cc1cccc2\C(CCc12)=C\c1cccnc1
Show InChI InChI=1S/C16H15N/c1-12-4-2-6-16-14(7-8-15(12)16)10-13-5-3-9-17-11-13/h2-6,9-11H,7-8H2,1H3/b14-10+
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n/an/a 108n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...

J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM8587
PNG
((3-Pyridylmethylene)indane 5b | 3-{[(1Z)-5-fluoro-...)
Show SMILES Fc1ccc2\C(CCc2c1)=C/c1cccnc1
Show InChI InChI=1S/C15H12FN/c16-14-5-6-15-12(3-4-13(15)9-14)8-11-2-1-7-17-10-11/h1-2,5-10H,3-4H2/b12-8-
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n/an/a 125n/an/an/an/a7.437



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...

J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM8608
PNG
((3-Pyridylmethylene)indane 25a | 3-{[(1E)-4-chloro...)
Show SMILES Clc1cccc2\C(CCc12)=C\c1cccnc1
Show InChI InChI=1S/C15H12ClN/c16-15-5-1-4-13-12(6-7-14(13)15)9-11-3-2-8-17-10-11/h1-5,8-10H,6-7H2/b12-9+
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n/an/a 130n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...

J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM8585
PNG
((3-Pyridylmethylene)tetrahydronaphthalene 3b | 3-[...)
Show SMILES C1C\C(=C\c2cccnc2)c2ccccc2C1
Show InChI InChI=1S/C16H15N/c1-2-9-16-14(6-1)7-3-8-15(16)11-13-5-4-10-17-12-13/h1-2,4-6,9-12H,3,7-8H2/b15-11-
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n/an/a 141n/an/an/an/a7.437



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...

J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM8613
PNG
((4-Pyridylmethylene)tetrahydronaphthalene 4a | 4-[...)
Show SMILES C1C\C(=C/c2ccncc2)c2ccccc2C1
Show InChI InChI=1S/C16H15N/c1-2-7-16-14(4-1)5-3-6-15(16)12-13-8-10-17-11-9-13/h1-2,4,7-12H,3,5-6H2/b15-12+
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n/an/a 143n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...

J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM8641
PNG
((3-Pyridylmethylene)indane 38a | 3-{1-[(1E)-5-fluo...)
Show SMILES C\C(=C1\CCc2cc(F)ccc12)c1cccnc1
Show InChI InChI=1S/C16H14FN/c1-11(13-3-2-8-18-10-13)15-6-4-12-9-14(17)5-7-16(12)15/h2-3,5,7-10H,4,6H2,1H3/b15-11+
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n/an/a 159n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...

J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM8591
PNG
((3-Pyridylmethylene)indane 9b | 3-{[(1Z)-5-bromo-2...)
Show SMILES Brc1ccc2\C(CCc2c1)=C/c1cccnc1
Show InChI InChI=1S/C15H12BrN/c16-14-5-6-15-12(3-4-13(15)9-14)8-11-2-1-7-17-10-11/h1-2,5-10H,3-4H2/b12-8-
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n/an/a 171n/an/an/an/a7.437



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...

J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM8617
PNG
((3-Pyridylmethylene)indane 24b | 3-{[(1Z)-4-fluoro...)
Show SMILES Fc1cccc2\C(CCc12)=C/c1cccnc1
Show InChI InChI=1S/C15H12FN/c16-15-5-1-4-13-12(6-7-14(13)15)9-11-3-2-8-17-10-11/h1-5,8-10H,6-7H2/b12-9-
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n/an/a 180n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...

J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM8596
PNG
((3-Pyridylmethylene)tetrahydronaphthalene 13b | 3-...)
Show SMILES COc1ccc2\C(CCCc2c1)=C/c1cccnc1
Show InChI InChI=1S/C17H17NO/c1-19-16-7-8-17-14(5-2-6-15(17)11-16)10-13-4-3-9-18-12-13/h3-4,7-12H,2,5-6H2,1H3/b14-10-
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n/an/a 206n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...

J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM8610
PNG
(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)
Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r|
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/t23-,26-/m0/s1
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n/an/a 224n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...

J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM8609
PNG
((3-Pyridylmethylene)indane 25b | 3-{[(1Z)-4-chloro...)
Show SMILES Clc1cccc2\C(CCc12)=C/c1cccnc1
Show InChI InChI=1S/C15H12ClN/c16-15-5-1-4-13-12(6-7-14(13)15)9-11-3-2-8-17-10-11/h1-5,8-10H,6-7H2/b12-9-
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n/an/a 230n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...

J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM8618
PNG
((4-Pyridylmethylene)indane 8a | 4-{[(1E)-5-chloro-...)
Show SMILES Clc1ccc2\C(CCc2c1)=C\c1ccncc1
Show InChI InChI=1S/C15H12ClN/c16-14-3-4-15-12(1-2-13(15)10-14)9-11-5-7-17-8-6-11/h3-10H,1-2H2/b12-9+
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n/an/a 243n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...

J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM8598
PNG
((3-Pyridylmethylene)indane 19b | 3-{[(1Z)-5-ethoxy...)
Show SMILES CCOc1ccc2\C(CCc2c1)=C/c1cccnc1
Show InChI InChI=1S/C17H17NO/c1-2-19-16-7-8-17-14(5-6-15(17)11-16)10-13-4-3-9-18-12-13/h3-4,7-12H,2,5-6H2,1H3/b14-10-
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n/an/a 248n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...

J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM8615
PNG
((4-Pyridylmethylene)indane 6b | 4-{[(1Z)-5-fluoro-...)
Show SMILES Fc1ccc2\C(CCc2c1)=C/c1ccncc1
Show InChI InChI=1S/C15H12FN/c16-14-3-4-15-12(1-2-13(15)10-14)9-11-5-7-17-8-6-11/h3-10H,1-2H2/b12-9-
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n/an/a 257n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...

J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM8589
PNG
((3-Pyridylmethylene)indane 7b | 3-{[(1Z)-5-chloro-...)
Show SMILES Clc1ccc2\C(CCc2c1)=C/c1cccnc1
Show InChI InChI=1S/C15H12ClN/c16-14-5-6-15-12(3-4-13(15)9-14)8-11-2-1-7-17-10-11/h1-2,5-10H,3-4H2/b12-8-
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n/an/a 270n/an/an/an/a7.437



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...

J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM8626
PNG
((4-Pyridylmethylene)indane 16a | 4-{[(1E)-6-methox...)
Show SMILES COc1ccc2CC\C(=C/c3ccncc3)c2c1
Show InChI InChI=1S/C16H15NO/c1-18-15-5-4-13-2-3-14(16(13)11-15)10-12-6-8-17-9-7-12/h4-11H,2-3H2,1H3/b14-10+
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n/an/a 280n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...

J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM8613
PNG
((4-Pyridylmethylene)tetrahydronaphthalene 4a | 4-[...)
Show SMILES C1C\C(=C/c2ccncc2)c2ccccc2C1
Show InChI InChI=1S/C16H15N/c1-2-7-16-14(4-1)5-3-6-15(16)12-13-8-10-17-11-9-13/h1-2,4,7-12H,3,5-6H2/b15-12+
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n/an/a 282n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...

J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM8619
PNG
((4-Pyridylmethylene)indane 8b | 4-{[(1Z)-5-chloro-...)
Show SMILES Clc1ccc2\C(CCc2c1)=C/c1ccncc1
Show InChI InChI=1S/C15H12ClN/c16-14-3-4-15-12(1-2-13(15)10-14)9-11-5-7-17-8-6-11/h3-10H,1-2H2/b12-9-
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antibodypedia
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UniChem

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PubMed
n/an/a 301n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...

J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM8608
PNG
((3-Pyridylmethylene)indane 25a | 3-{[(1E)-4-chloro...)
Show SMILES Clc1cccc2\C(CCc12)=C\c1cccnc1
Show InChI InChI=1S/C15H12ClN/c16-15-5-1-4-13-12(6-7-14(13)15)9-11-3-2-8-17-10-11/h1-5,8-10H,6-7H2/b12-9+
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Article
PubMed
n/an/a 304n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...

J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM8586
PNG
((3-Pyridylmethylene)indane 5a | 3-{[(1E)-5-fluoro-...)
Show SMILES Fc1ccc2\C(CCc2c1)=C\c1cccnc1
Show InChI InChI=1S/C15H12FN/c16-14-5-6-15-12(3-4-13(15)9-14)8-11-2-1-7-17-10-11/h1-2,5-10H,3-4H2/b12-8+
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UniChem

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Article
PubMed
n/an/a 311n/an/an/an/a7.437



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...

J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM8591
PNG
((3-Pyridylmethylene)indane 9b | 3-{[(1Z)-5-bromo-2...)
Show SMILES Brc1ccc2\C(CCc2c1)=C/c1cccnc1
Show InChI InChI=1S/C15H12BrN/c16-14-5-6-15-12(3-4-13(15)9-14)8-11-2-1-7-17-10-11/h1-2,5-10H,3-4H2/b12-8-
PDB

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UniChem

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Article
PubMed
n/an/a 320n/an/an/an/a7.437



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...

J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM8640
PNG
((isoquinolinemethylene)indane 30b | 5-{[(1Z)-5-flu...)
Show SMILES Fc1ccc2\C(CCc2c1)=C/c1cccc2cnccc12
Show InChI InChI=1S/C19H14FN/c20-17-6-7-18-14(4-5-15(18)11-17)10-13-2-1-3-16-12-21-9-8-19(13)16/h1-3,6-12H,4-5H2/b14-10-
PDB

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PC sid
UniChem

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Article
PubMed
n/an/a 374n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...

J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
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