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PubMed code 7783141

Compile data set for download or QSAR
Found 28 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
Aromatase


(Homo sapiens (Human))		BDBM50035208
PNG
(1-Pyridin-4-yl-1a,2,3,7b-tetrahydro-1H-cyclopropa[...)
Show SMILES Oc1ccc2CCC3C(C3c2c1)c1ccncc1
Show InChI InChI=1S/C16H15NO/c18-12-3-1-10-2-4-13-15(16(13)14(10)9-12)11-5-7-17-8-6-11/h1,3,5-9,13,15-16,18H,2,4H2
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n/an/a 66n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
Inhibition of Human placental Cytochrome P450 19A1

J Med Chem 38: 2103-11 (1995)


BindingDB Entry DOI: 10.7270/Q2NV9H9S
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50035206
PNG
(4-(5-Methoxy-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]...)
Show SMILES COc1ccc2C3C(CCc2c1)C3c1ccncc1
Show InChI InChI=1S/C17H17NO/c1-19-13-3-5-14-12(10-13)2-4-15-16(17(14)15)11-6-8-18-9-7-11/h3,5-10,15-17H,2,4H2,1H3
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n/an/a 69n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
Inhibition of Human placental Cytochrome P450 19A1

J Med Chem 38: 2103-11 (1995)


BindingDB Entry DOI: 10.7270/Q2NV9H9S
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50035209
PNG
(4-(1a,2,3,7b-Tetrahydro-1H-cyclopropa[a]naphthalen...)
Show SMILES C1Cc2ccccc2C2C1C2c1ccncc1
Show InChI InChI=1S/C16H15N/c1-2-4-13-11(3-1)5-6-14-15(16(13)14)12-7-9-17-10-8-12/h1-4,7-10,14-16H,5-6H2
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n/an/a 185n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
Inhibition of Human placental Cytochrome P450 19A1

J Med Chem 38: 2103-11 (1995)


BindingDB Entry DOI: 10.7270/Q2NV9H9S
More data for this
Ligand-Target Pair
Aromatase


(Rattus norvegicus)		BDBM50035204
PNG
(4-(6-Methoxy-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]...)
Show SMILES COc1ccc2CCC3C(C3c2c1)c1ccncc1
Show InChI InChI=1S/C17H17NO/c1-19-13-4-2-11-3-5-14-16(17(14)15(11)10-13)12-6-8-18-9-7-12/h2,4,6-10,14,16-17H,3,5H2,1H3
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n/an/a 265n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibition of rat ovarian microsomal Cytochrome P450 19A1

J Med Chem 38: 2103-11 (1995)


BindingDB Entry DOI: 10.7270/Q2NV9H9S
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50035211
PNG
(1-Pyridin-4-yl-1a,2,3,7b-tetrahydro-1H-cyclopropa[...)
Show SMILES Oc1ccc2C3C(CCc2c1)C3c1ccncc1
Show InChI InChI=1S/C16H15NO/c18-12-2-4-13-11(9-12)1-3-14-15(16(13)14)10-5-7-17-8-6-10/h2,4-9,14-16,18H,1,3H2
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n/an/a 330n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
Inhibition of Human placental Cytochrome P450 19A1

J Med Chem 38: 2103-11 (1995)


BindingDB Entry DOI: 10.7270/Q2NV9H9S
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50035213
PNG
(4-(6-Methoxy-1-methyl-1a,2,3,7b-tetrahydro-1H-cycl...)
Show SMILES COc1ccc2CCC3C(c2c1)C3(C)c1ccncc1
Show InChI InChI=1S/C18H19NO/c1-18(13-7-9-19-10-8-13)16-6-4-12-3-5-14(20-2)11-15(12)17(16)18/h3,5,7-11,16-17H,4,6H2,1-2H3
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n/an/a 370n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
Inhibition of Human placental Cytochrome P450 19A1

J Med Chem 38: 2103-11 (1995)


BindingDB Entry DOI: 10.7270/Q2NV9H9S
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Rattus norvegicus)		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 600n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibition of ACTH-stimulated aldosterone biosynthesis in rat adrenal slices

J Med Chem 38: 2103-11 (1995)


BindingDB Entry DOI: 10.7270/Q2NV9H9S
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50035205
PNG
(4-(5-Bromo-6-methoxy-1a,2,3,7b-tetrahydro-1H-cyclo...)
Show SMILES COc1cc2C3C(CCc2cc1Br)C3c1ccncc1
Show InChI InChI=1S/C17H16BrNO/c1-20-15-9-13-11(8-14(15)18)2-3-12-16(17(12)13)10-4-6-19-7-5-10/h4-9,12,16-17H,2-3H2,1H3
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n/an/a 920n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
Inhibition of Human placental Cytochrome P450 19A1

J Med Chem 38: 2103-11 (1995)


BindingDB Entry DOI: 10.7270/Q2NV9H9S
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50035205
PNG
(4-(5-Bromo-6-methoxy-1a,2,3,7b-tetrahydro-1H-cyclo...)
Show SMILES COc1cc2C3C(CCc2cc1Br)C3c1ccncc1
Show InChI InChI=1S/C17H16BrNO/c1-20-15-9-13-11(8-14(15)18)2-3-12-16(17(12)13)10-4-6-19-7-5-10/h4-9,12,16-17H,2-3H2,1H3
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n/an/a 920n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
Inhibition of Human placental Cytochrome P450 19A1

J Med Chem 38: 2103-11 (1995)


BindingDB Entry DOI: 10.7270/Q2NV9H9S
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Rattus norvegicus)		BDBM50035209
PNG
(4-(1a,2,3,7b-Tetrahydro-1H-cyclopropa[a]naphthalen...)
Show SMILES C1Cc2ccccc2C2C1C2c1ccncc1
Show InChI InChI=1S/C16H15N/c1-2-4-13-11(3-1)5-6-14-15(16(13)14)12-7-9-17-10-8-12/h1-4,7-10,14-16H,5-6H2
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n/an/a 3.00E+3n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibition of ACTH-stimulated aldosterone biosynthesis in rat adrenal slices

J Med Chem 38: 2103-11 (1995)


BindingDB Entry DOI: 10.7270/Q2NV9H9S
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50035212
PNG
(4-(4-Methoxy-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]...)
Show SMILES COc1cccc2C3C(CCc12)C3c1ccncc1
Show InChI InChI=1S/C17H17NO/c1-19-15-4-2-3-13-12(15)5-6-14-16(17(13)14)11-7-9-18-10-8-11/h2-4,7-10,14,16-17H,5-6H2,1H3
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n/an/a 3.35E+3n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
Inhibition of Human placental Cytochrome P450 19A1

J Med Chem 38: 2103-11 (1995)


BindingDB Entry DOI: 10.7270/Q2NV9H9S
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50035210
PNG
(4-(7-Bromo-4-methoxy-1a,2,3,7b-tetrahydro-1H-cyclo...)
Show SMILES COc1ccc(Br)c2C3C(CCc12)C3c1ccncc1
Show InChI InChI=1S/C17H16BrNO/c1-20-14-5-4-13(18)16-11(14)2-3-12-15(17(12)16)10-6-8-19-9-7-10/h4-9,12,15,17H,2-3H2,1H3
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n/an/a 4.30E+3n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
Inhibition of Human placental Cytochrome P450 19A1

J Med Chem 38: 2103-11 (1995)


BindingDB Entry DOI: 10.7270/Q2NV9H9S
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50035207
PNG
(1-(pyridin-4-yl)-1a,2,3,7b-tetrahydro-1H-cycloprop...)
Show SMILES Oc1cccc2C3C(CCc12)C3c1ccncc1
Show InChI InChI=1S/C16H15NO/c18-14-3-1-2-12-11(14)4-5-13-15(16(12)13)10-6-8-17-9-7-10/h1-3,6-9,13,15-16,18H,4-5H2
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n/an/a 5.00E+3n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
Inhibition of Human placental Cytochrome P450 19A1

J Med Chem 38: 2103-11 (1995)


BindingDB Entry DOI: 10.7270/Q2NV9H9S
More data for this
Ligand-Target Pair
Aromatase


(Rattus norvegicus)		BDBM9460
PNG
(3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione | 3...)
Show SMILES CCC1(CCC(=O)NC1=O)c1ccc(N)cc1
Show InChI InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)
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n/an/a 6.20E+3n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibition of rat ovarian microsomal Cytochrome P450 19A1

J Med Chem 38: 2103-11 (1995)


BindingDB Entry DOI: 10.7270/Q2NV9H9S
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Rattus norvegicus)		BDBM50035208
PNG
(1-Pyridin-4-yl-1a,2,3,7b-tetrahydro-1H-cyclopropa[...)
Show SMILES Oc1ccc2CCC3C(C3c2c1)c1ccncc1
Show InChI InChI=1S/C16H15NO/c18-12-3-1-10-2-4-13-15(16(13)14(10)9-12)11-5-7-17-8-6-11/h1,3,5-9,13,15-16,18H,2,4H2
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n/an/a 7.00E+3n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibition of ACTH-stimulated aldosterone biosynthesis in rat adrenal slices

J Med Chem 38: 2103-11 (1995)


BindingDB Entry DOI: 10.7270/Q2NV9H9S
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50035204
PNG
(4-(6-Methoxy-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]...)
Show SMILES COc1ccc2CCC3C(C3c2c1)c1ccncc1
Show InChI InChI=1S/C17H17NO/c1-19-13-4-2-11-3-5-14-16(17(14)15(11)10-13)12-6-8-18-9-7-12/h2,4,6-10,14,16-17H,3,5H2,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
Inhibition of Human placental Cytochrome P450 19A1

J Med Chem 38: 2103-11 (1995)


BindingDB Entry DOI: 10.7270/Q2NV9H9S
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50035204
PNG
(4-(6-Methoxy-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]...)
Show SMILES COc1ccc2CCC3C(C3c2c1)c1ccncc1
Show InChI InChI=1S/C17H17NO/c1-19-13-4-2-11-3-5-14-16(17(14)15(11)10-13)12-6-8-18-9-7-12/h2,4,6-10,14,16-17H,3,5H2,1H3
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Universität des Saarlandes

Curated by ChEMBL


Assay Description
Inhibition of Human placental Cytochrome P450 19A1

J Med Chem 38: 2103-11 (1995)


BindingDB Entry DOI: 10.7270/Q2NV9H9S
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Rattus norvegicus)		BDBM50035204
PNG
(4-(6-Methoxy-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]...)
Show SMILES COc1ccc2CCC3C(C3c2c1)c1ccncc1
Show InChI InChI=1S/C17H17NO/c1-19-13-4-2-11-3-5-14-16(17(14)15(11)10-13)12-6-8-18-9-7-12/h2,4,6-10,14,16-17H,3,5H2,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibition of ACTH-stimulated aldosterone biosynthesis in rat adrenal slices

J Med Chem 38: 2103-11 (1995)


BindingDB Entry DOI: 10.7270/Q2NV9H9S
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Rattus norvegicus)		BDBM50035204
PNG
(4-(6-Methoxy-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]...)
Show SMILES COc1ccc2CCC3C(C3c2c1)c1ccncc1
Show InChI InChI=1S/C17H17NO/c1-19-13-4-2-11-3-5-14-16(17(14)15(11)10-13)12-6-8-18-9-7-12/h2,4,6-10,14,16-17H,3,5H2,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibition of ACTH-stimulated aldosterone biosynthesis in rat adrenal slices

J Med Chem 38: 2103-11 (1995)


BindingDB Entry DOI: 10.7270/Q2NV9H9S
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Rattus norvegicus)		BDBM50378780
PNG
((S)-VOROZOLE)
Show SMILES Cn1nnc2ccc(cc12)[C@H](c1ccc(Cl)cc1)n1cncn1 |r|
Show InChI InChI=1S/C16H13ClN6/c1-22-15-8-12(4-7-14(15)20-21-22)16(23-10-18-9-19-23)11-2-5-13(17)6-3-11/h2-10,16H,1H3/t16-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibition of ACTH-stimulated aldosterone biosynthesis in rat adrenal slices

J Med Chem 38: 2103-11 (1995)


BindingDB Entry DOI: 10.7270/Q2NV9H9S
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM9460
PNG
(3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione | 3...)
Show SMILES CCC1(CCC(=O)NC1=O)c1ccc(N)cc1
Show InChI InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)
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n/an/a 1.85E+4n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
Inhibition of Human placental Cytochrome P450 19A1

J Med Chem 38: 2103-11 (1995)


BindingDB Entry DOI: 10.7270/Q2NV9H9S
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50035204
PNG
(4-(6-Methoxy-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]...)
Show SMILES COc1ccc2CCC3C(C3c2c1)c1ccncc1
Show InChI InChI=1S/C17H17NO/c1-19-13-4-2-11-3-5-14-16(17(14)15(11)10-13)12-6-8-18-9-7-12/h2,4,6-10,14,16-17H,3,5H2,1H3
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n/an/a 3.00E+4n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibition of ACTH-stimulated corticosterone biosynthesis in rat adrenal slices

J Med Chem 38: 2103-11 (1995)


BindingDB Entry DOI: 10.7270/Q2NV9H9S
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50035204
PNG
(4-(6-Methoxy-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]...)
Show SMILES COc1ccc2CCC3C(C3c2c1)c1ccncc1
Show InChI InChI=1S/C17H17NO/c1-19-13-4-2-11-3-5-14-16(17(14)15(11)10-13)12-6-8-18-9-7-12/h2,4,6-10,14,16-17H,3,5H2,1H3
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n/an/a 3.00E+4n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibition of ACTH-stimulated corticosterone biosynthesis in rat adrenal slices

J Med Chem 38: 2103-11 (1995)


BindingDB Entry DOI: 10.7270/Q2NV9H9S
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Rattus norvegicus)		BDBM9460
PNG
(3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione | 3...)
Show SMILES CCC1(CCC(=O)NC1=O)c1ccc(N)cc1
Show InChI InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibition of ACTH-stimulated aldosterone biosynthesis in rat adrenal slices

J Med Chem 38: 2103-11 (1995)


BindingDB Entry DOI: 10.7270/Q2NV9H9S
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50035208
PNG
(1-Pyridin-4-yl-1a,2,3,7b-tetrahydro-1H-cyclopropa[...)
Show SMILES Oc1ccc2CCC3C(C3c2c1)c1ccncc1
Show InChI InChI=1S/C16H15NO/c18-12-3-1-10-2-4-13-15(16(13)14(10)9-12)11-5-7-17-8-6-11/h1,3,5-9,13,15-16,18H,2,4H2
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n/an/a 7.60E+4n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibition of ACTH-stimulated corticosterone biosynthesis in rat adrenal slices

J Med Chem 38: 2103-11 (1995)


BindingDB Entry DOI: 10.7270/Q2NV9H9S
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 8.00E+4n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibition of ACTH-stimulated corticosterone biosynthesis in rat adrenal slices

J Med Chem 38: 2103-11 (1995)


BindingDB Entry DOI: 10.7270/Q2NV9H9S
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cytochrome P450 11B2, mitochondrial


(Rattus norvegicus)		BDBM9460
PNG
(3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione | 3...)
Show SMILES CCC1(CCC(=O)NC1=O)c1ccc(N)cc1
Show InChI InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)
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n/an/a 8.00E+4n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibition of ACTH-stimulated aldosterone biosynthesis in rat adrenal slices

J Med Chem 38: 2103-11 (1995)


BindingDB Entry DOI: 10.7270/Q2NV9H9S
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50378780
PNG
((S)-VOROZOLE)
Show SMILES Cn1nnc2ccc(cc12)[C@H](c1ccc(Cl)cc1)n1cncn1 |r|
Show InChI InChI=1S/C16H13ClN6/c1-22-15-8-12(4-7-14(15)20-21-22)16(23-10-18-9-19-23)11-2-5-13(17)6-3-11/h2-10,16H,1H3/t16-/m0/s1
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n/an/a 9.50E+4n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibition of ACTH-stimulated corticosterone biosynthesis in rat adrenal slices

J Med Chem 38: 2103-11 (1995)


BindingDB Entry DOI: 10.7270/Q2NV9H9S
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%