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PubMed code 8632407

Compile data set for download or QSAR
Found 43 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))		BDBM50049763
PNG
(2-[1-(3H-Imidazol-4-yl)-meth-(E)-ylidene]-3,4-dihy...)
Show SMILES O=C1C(CCc2ccccc12)=Cc1cnc[nH]1 |w:11.13|
Show InChI InChI=1S/C14H12N2O/c17-14-11(7-12-8-15-9-16-12)6-5-10-3-1-2-4-13(10)14/h1-4,7-9H,5-6H2,(H,15,16)
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n/an/a 170n/an/an/an/an/an/a



Universität de Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Cytochrome P450 19A1 using human placental microsomes.

J Med Chem 39: 834-41 (1996)


Article DOI: 10.1021/jm950377t
BindingDB Entry DOI: 10.7270/Q29K499J
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50049763
PNG
(2-[1-(3H-Imidazol-4-yl)-meth-(E)-ylidene]-3,4-dihy...)
Show SMILES O=C1C(CCc2ccccc12)=Cc1cnc[nH]1 |w:11.13|
Show InChI InChI=1S/C14H12N2O/c17-14-11(7-12-8-15-9-16-12)6-5-10-3-1-2-4-13(10)14/h1-4,7-9H,5-6H2,(H,15,16)
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n/an/a 260n/an/an/an/an/an/a



Universität de Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Cytochrome P450 19A1 using human placental microsomes.

J Med Chem 39: 834-41 (1996)


Article DOI: 10.1021/jm950377t
BindingDB Entry DOI: 10.7270/Q29K499J
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 370n/an/an/an/an/an/a



Universität de Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Cytochrome P450 19A1 using human placental microsomes.

J Med Chem 39: 834-41 (1996)


Article DOI: 10.1021/jm950377t
BindingDB Entry DOI: 10.7270/Q29K499J
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50049774
PNG
(5-(1a,2,3,7b-Tetrahydro-1H-cyclopropa[a]naphthalen...)
Show SMILES C1Cc2ccccc2C2C1C2c1cnc[nH]1
Show InChI InChI=1S/C14H14N2/c1-2-4-10-9(3-1)5-6-11-13(10)14(11)12-7-15-8-16-12/h1-4,7-8,11,13-14H,5-6H2,(H,15,16)
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n/an/a 600n/an/an/an/an/an/a



Universität de Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Cytochrome P450 19A1 using human placental microsomes.

J Med Chem 39: 834-41 (1996)


Article DOI: 10.1021/jm950377t
BindingDB Entry DOI: 10.7270/Q29K499J
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50049777
PNG
(2-[1-Thiazol-5-yl-meth-(E)-ylidene]-3,4-dihydro-2H...)
Show SMILES O=C1\C(CCc2ccccc12)=C\c1cncs1
Show InChI InChI=1S/C14H11NOS/c16-14-11(7-12-8-15-9-17-12)6-5-10-3-1-2-4-13(10)14/h1-4,7-9H,5-6H2/b11-7+
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n/an/a 1.10E+3n/an/an/an/an/an/a



Universität de Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Cytochrome P450 19A1 using human placental microsomes.

J Med Chem 39: 834-41 (1996)


Article DOI: 10.1021/jm950377t
BindingDB Entry DOI: 10.7270/Q29K499J
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50009605
PNG
(2-(pyridin-4-ylmethylene)-3,4-dihydronaphthalen-1(...)
Show SMILES O=C1\C(CCc2ccccc12)=C\c1ccncc1
Show InChI InChI=1S/C16H13NO/c18-16-14(11-12-7-9-17-10-8-12)6-5-13-3-1-2-4-15(13)16/h1-4,7-11H,5-6H2/b14-11+
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n/an/a 4.60E+3n/an/an/an/an/an/a



Universität de Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Cytochrome P450 19A1 using human placental microsomes.

J Med Chem 39: 834-41 (1996)


Article DOI: 10.1021/jm950377t
BindingDB Entry DOI: 10.7270/Q29K499J
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50049765
PNG
(2-[1-Pyridin-3-yl-meth-(E)-ylidene]-3,4-dihydro-2H...)
Show SMILES O=C1\C(CCc2ccccc12)=C\c1cccnc1
Show InChI InChI=1S/C16H13NO/c18-16-14(10-12-4-3-9-17-11-12)8-7-13-5-1-2-6-15(13)16/h1-6,9-11H,7-8H2/b14-10+
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n/an/a 9.20E+3n/an/an/an/an/an/a



Universität de Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Cytochrome P450 19A1 using human placental microsomes.

J Med Chem 39: 834-41 (1996)


Article DOI: 10.1021/jm950377t
BindingDB Entry DOI: 10.7270/Q29K499J
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50049768
PNG
(2-[1-Pyrazin-2-yl-meth-(E)-ylidene]-3,4-dihydro-2H...)
Show SMILES O=C1\C(CCc2ccccc12)=C\c1cnccn1
Show InChI InChI=1S/C15H12N2O/c18-15-12(9-13-10-16-7-8-17-13)6-5-11-3-1-2-4-14(11)15/h1-4,7-10H,5-6H2/b12-9+
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n/an/a 1.00E+4n/an/an/an/an/an/a



Universität de Saarlandes

Curated by ChEMBL


Assay Description
Inhibitory activity against Steroidgenic Cytochrome P450 C18 using Bovine adrenal mitochondria.

J Med Chem 39: 834-41 (1996)


Article DOI: 10.1021/jm950377t
BindingDB Entry DOI: 10.7270/Q29K499J
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50009605
PNG
(2-(pyridin-4-ylmethylene)-3,4-dihydronaphthalen-1(...)
Show SMILES O=C1\C(CCc2ccccc12)=C\c1ccncc1
Show InChI InChI=1S/C16H13NO/c18-16-14(11-12-7-9-17-10-8-12)6-5-13-3-1-2-4-15(13)16/h1-4,7-11H,5-6H2/b14-11+
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n/an/a 1.20E+4n/an/an/an/an/an/a



Universität de Saarlandes

Curated by ChEMBL


Assay Description
Inhibitory activity against Steroidgenic Cytochrome P450 C18 using Bovine adrenal mitochondria.

J Med Chem 39: 834-41 (1996)


Article DOI: 10.1021/jm950377t
BindingDB Entry DOI: 10.7270/Q29K499J
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50049776
PNG
(3-(1a,2,3,7b-Tetrahydro-1H-cyclopropa[a]naphthalen...)
Show SMILES C1Cc2ccccc2C2C1C2c1cccnc1
Show InChI InChI=1S/C16H15N/c1-2-6-13-11(4-1)7-8-14-15(16(13)14)12-5-3-9-17-10-12/h1-6,9-10,14-16H,7-8H2
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n/an/a 1.30E+4n/an/an/an/an/an/a



Universität de Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Cytochrome P450 19A1 using human placental microsomes.

J Med Chem 39: 834-41 (1996)


Article DOI: 10.1021/jm950377t
BindingDB Entry DOI: 10.7270/Q29K499J
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50049766
PNG
(1-Phenyl-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naph...)
Show SMILES C1Cc2ccccc2C2C1C2c1ccccc1
Show InChI InChI=1S/C17H16/c1-2-7-13(8-3-1)16-15-11-10-12-6-4-5-9-14(12)17(15)16/h1-9,15-17H,10-11H2
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n/an/a 1.40E+4n/an/an/an/an/an/a



Universität de Saarlandes

Curated by ChEMBL


Assay Description
Inhibitory activity against Steroidgenic Cytochrome P450 C18 using Bovine adrenal mitochondria.

J Med Chem 39: 834-41 (1996)


Article DOI: 10.1021/jm950377t
BindingDB Entry DOI: 10.7270/Q29K499J
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50049778
PNG
(2-[1-(2H-Pyrazol-3-yl)-meth-(E)-ylidene]-3,4-dihyd...)
Show SMILES O=C1C(CCc2ccccc12)=Cc1ccn[nH]1 |w:11.13|
Show InChI InChI=1S/C14H12N2O/c17-14-11(9-12-7-8-15-16-12)6-5-10-3-1-2-4-13(10)14/h1-4,7-9H,5-6H2,(H,15,16)
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n/an/a 1.80E+4n/an/an/an/an/an/a



Universität de Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Cytochrome P450 19A1 using human placental microsomes.

J Med Chem 39: 834-41 (1996)


Article DOI: 10.1021/jm950377t
BindingDB Entry DOI: 10.7270/Q29K499J
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50049762
PNG
(3-(1a,2,3,7b-Tetrahydro-1H-cyclopropa[a]naphthalen...)
Show SMILES C1Cc2ccccc2C2C1C2c1ccn[nH]1
Show InChI InChI=1S/C14H14N2/c1-2-4-10-9(3-1)5-6-11-13(10)14(11)12-7-8-15-16-12/h1-4,7-8,11,13-14H,5-6H2,(H,15,16)
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n/an/a 1.90E+4n/an/an/an/an/an/a



Universität de Saarlandes

Curated by ChEMBL


Assay Description
Inhibitory activity against Steroidgenic Cytochrome P450 C18 using Bovine adrenal mitochondria.

J Med Chem 39: 834-41 (1996)


Article DOI: 10.1021/jm950377t
BindingDB Entry DOI: 10.7270/Q29K499J
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50049778
PNG
(2-[1-(2H-Pyrazol-3-yl)-meth-(E)-ylidene]-3,4-dihyd...)
Show SMILES O=C1C(CCc2ccccc12)=Cc1ccn[nH]1 |w:11.13|
Show InChI InChI=1S/C14H12N2O/c17-14-11(9-12-7-8-15-16-12)6-5-10-3-1-2-4-13(10)14/h1-4,7-9H,5-6H2,(H,15,16)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Universität de Saarlandes

Curated by ChEMBL


Assay Description
Inhibitory activity against Steroidgenic Cytochrome P450 C18 using Bovine adrenal mitochondria.

J Med Chem 39: 834-41 (1996)


Article DOI: 10.1021/jm950377t
BindingDB Entry DOI: 10.7270/Q29K499J
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		BDBM50049777
PNG
(2-[1-Thiazol-5-yl-meth-(E)-ylidene]-3,4-dihydro-2H...)
Show SMILES O=C1\C(CCc2ccccc12)=C\c1cncs1
Show InChI InChI=1S/C14H11NOS/c16-14-11(7-12-8-15-9-17-12)6-5-10-3-1-2-4-13(10)14/h1-4,7-9H,5-6H2/b11-7+
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n/an/a 2.10E+4n/an/an/an/an/an/a



Universität de Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Steroidgenic Cytochrome P450 17 alpha using rat testicular microsomes.

J Med Chem 39: 834-41 (1996)


Article DOI: 10.1021/jm950377t
BindingDB Entry DOI: 10.7270/Q29K499J
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50049764
PNG
(2-[1-Pyridazin-3-yl-meth-(E)-ylidene]-3,4-dihydro-...)
Show SMILES O=C1\C(CCc2ccccc12)=C\c1cccnn1
Show InChI InChI=1S/C15H12N2O/c18-15-12(10-13-5-3-9-16-17-13)8-7-11-4-1-2-6-14(11)15/h1-6,9-10H,7-8H2/b12-10+
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n/an/a 2.10E+4n/an/an/an/an/an/a



Universität de Saarlandes

Curated by ChEMBL


Assay Description
Inhibitory activity against Steroidgenic Cytochrome P450 C18 using Bovine adrenal mitochondria.

J Med Chem 39: 834-41 (1996)


Article DOI: 10.1021/jm950377t
BindingDB Entry DOI: 10.7270/Q29K499J
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50049776
PNG
(3-(1a,2,3,7b-Tetrahydro-1H-cyclopropa[a]naphthalen...)
Show SMILES C1Cc2ccccc2C2C1C2c1cccnc1
Show InChI InChI=1S/C16H15N/c1-2-6-13-11(4-1)7-8-14-15(16(13)14)12-5-3-9-17-10-12/h1-6,9-10,14-16H,7-8H2
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n/an/a 2.40E+4n/an/an/an/an/an/a



Universität de Saarlandes

Curated by ChEMBL


Assay Description
Inhibitory activity against Steroidgenic Cytochrome P450 C18 using Bovine adrenal mitochondria.

J Med Chem 39: 834-41 (1996)


Article DOI: 10.1021/jm950377t
BindingDB Entry DOI: 10.7270/Q29K499J
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50049775
PNG
(2-(Hydroxy-pyrimidin-4-yl-methyl)-3,4-dihydro-2H-n...)
Show SMILES OC(C1CCc2ccccc2C1=O)c1ccncn1
Show InChI InChI=1S/C15H14N2O2/c18-14-11-4-2-1-3-10(11)5-6-12(14)15(19)13-7-8-16-9-17-13/h1-4,7-9,12,15,19H,5-6H2
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n/an/a 2.70E+4n/an/an/an/an/an/a



Universität de Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Cytochrome P450 19A1 using human placental microsomes.

J Med Chem 39: 834-41 (1996)


Article DOI: 10.1021/jm950377t
BindingDB Entry DOI: 10.7270/Q29K499J
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		BDBM50049763
PNG
(2-[1-(3H-Imidazol-4-yl)-meth-(E)-ylidene]-3,4-dihy...)
Show SMILES O=C1C(CCc2ccccc12)=Cc1cnc[nH]1 |w:11.13|
Show InChI InChI=1S/C14H12N2O/c17-14-11(7-12-8-15-9-16-12)6-5-10-3-1-2-4-13(10)14/h1-4,7-9H,5-6H2,(H,15,16)
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n/an/a 3.10E+4n/an/an/an/an/an/a



Universität de Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Steroidgenic Cytochrome P450 17 alpha using rat testicular microsomes.

J Med Chem 39: 834-41 (1996)


Article DOI: 10.1021/jm950377t
BindingDB Entry DOI: 10.7270/Q29K499J
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		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 3.60E+4n/an/an/an/an/an/a



Universität de Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Steroidgenic Cytochrome P450 17 alpha using rat testicular microsomes.

J Med Chem 39: 834-41 (1996)


Article DOI: 10.1021/jm950377t
BindingDB Entry DOI: 10.7270/Q29K499J
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		BDBM50009605
PNG
(2-(pyridin-4-ylmethylene)-3,4-dihydronaphthalen-1(...)
Show SMILES O=C1\C(CCc2ccccc12)=C\c1ccncc1
Show InChI InChI=1S/C16H13NO/c18-16-14(11-12-7-9-17-10-8-12)6-5-13-3-1-2-4-15(13)16/h1-4,7-11H,5-6H2/b14-11+
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n/an/a 3.70E+4n/an/an/an/an/an/a



Universität de Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Steroidgenic Cytochrome P450 17 alpha using rat testicular microsomes.

J Med Chem 39: 834-41 (1996)


Article DOI: 10.1021/jm950377t
BindingDB Entry DOI: 10.7270/Q29K499J
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50049768
PNG
(2-[1-Pyrazin-2-yl-meth-(E)-ylidene]-3,4-dihydro-2H...)
Show SMILES O=C1\C(CCc2ccccc12)=C\c1cnccn1
Show InChI InChI=1S/C15H12N2O/c18-15-12(9-13-10-16-7-8-17-13)6-5-11-3-1-2-4-14(11)15/h1-4,7-10H,5-6H2/b12-9+
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n/an/a 3.80E+4n/an/an/an/an/an/a



Universität de Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Cytochrome P450 19A1 using human placental microsomes.

J Med Chem 39: 834-41 (1996)


Article DOI: 10.1021/jm950377t
BindingDB Entry DOI: 10.7270/Q29K499J
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50049763
PNG
(2-[1-(3H-Imidazol-4-yl)-meth-(E)-ylidene]-3,4-dihy...)
Show SMILES O=C1C(CCc2ccccc12)=Cc1cnc[nH]1 |w:11.13|
Show InChI InChI=1S/C14H12N2O/c17-14-11(7-12-8-15-9-16-12)6-5-10-3-1-2-4-13(10)14/h1-4,7-9H,5-6H2,(H,15,16)
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n/an/a 4.30E+4n/an/an/an/an/an/a



Universität de Saarlandes

Curated by ChEMBL


Assay Description
Inhibitory activity against Steroidgenic Cytochrome P450 C18 using Bovine adrenal mitochondria.

J Med Chem 39: 834-41 (1996)


Article DOI: 10.1021/jm950377t
BindingDB Entry DOI: 10.7270/Q29K499J
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		BDBM50049765
PNG
(2-[1-Pyridin-3-yl-meth-(E)-ylidene]-3,4-dihydro-2H...)
Show SMILES O=C1\C(CCc2ccccc12)=C\c1cccnc1
Show InChI InChI=1S/C16H13NO/c18-16-14(10-12-4-3-9-17-11-12)8-7-13-5-1-2-6-15(13)16/h1-6,9-11H,7-8H2/b14-10+
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n/an/a 4.80E+4n/an/an/an/an/an/a



Universität de Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Steroidgenic Cytochrome P450 17 alpha using rat testicular microsomes.

J Med Chem 39: 834-41 (1996)


Article DOI: 10.1021/jm950377t
BindingDB Entry DOI: 10.7270/Q29K499J
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50049762
PNG
(3-(1a,2,3,7b-Tetrahydro-1H-cyclopropa[a]naphthalen...)
Show SMILES C1Cc2ccccc2C2C1C2c1ccn[nH]1
Show InChI InChI=1S/C14H14N2/c1-2-4-10-9(3-1)5-6-11-13(10)14(11)12-7-8-15-16-12/h1-4,7-8,11,13-14H,5-6H2,(H,15,16)
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n/an/a 5.10E+4n/an/an/an/an/an/a



Universität de Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Cytochrome P450 19A1 using human placental microsomes.

J Med Chem 39: 834-41 (1996)


Article DOI: 10.1021/jm950377t
BindingDB Entry DOI: 10.7270/Q29K499J
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(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 5.50E+4n/an/an/an/an/an/a



Universität de Saarlandes

Curated by ChEMBL


Assay Description
Inhibitory activity against Steroidgenic Cytochrome P450 C18 using Bovine adrenal mitochondria.

J Med Chem 39: 834-41 (1996)


Article DOI: 10.1021/jm950377t
BindingDB Entry DOI: 10.7270/Q29K499J
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50049763
PNG
(2-[1-(3H-Imidazol-4-yl)-meth-(E)-ylidene]-3,4-dihy...)
Show SMILES O=C1C(CCc2ccccc12)=Cc1cnc[nH]1 |w:11.13|
Show InChI InChI=1S/C14H12N2O/c17-14-11(7-12-8-15-9-16-12)6-5-10-3-1-2-4-13(10)14/h1-4,7-9H,5-6H2,(H,15,16)
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n/an/a 7.30E+4n/an/an/an/an/an/a



Universität de Saarlandes

Curated by ChEMBL


Assay Description
Inhibitory activity against Steroidgenic Cytochrome P450 C18 using Bovine adrenal mitochondria.

J Med Chem 39: 834-41 (1996)


Article DOI: 10.1021/jm950377t
BindingDB Entry DOI: 10.7270/Q29K499J
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		BDBM50049763
PNG
(2-[1-(3H-Imidazol-4-yl)-meth-(E)-ylidene]-3,4-dihy...)
Show SMILES O=C1C(CCc2ccccc12)=Cc1cnc[nH]1 |w:11.13|
Show InChI InChI=1S/C14H12N2O/c17-14-11(7-12-8-15-9-16-12)6-5-10-3-1-2-4-13(10)14/h1-4,7-9H,5-6H2,(H,15,16)
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n/an/a 7.40E+4n/an/an/an/an/an/a



Universität de Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Steroidgenic Cytochrome P450 17 alpha using rat testicular microsomes.

J Med Chem 39: 834-41 (1996)


Article DOI: 10.1021/jm950377t
BindingDB Entry DOI: 10.7270/Q29K499J
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		BDBM50049776
PNG
(3-(1a,2,3,7b-Tetrahydro-1H-cyclopropa[a]naphthalen...)
Show SMILES C1Cc2ccccc2C2C1C2c1cccnc1
Show InChI InChI=1S/C16H15N/c1-2-6-13-11(4-1)7-8-14-15(16(13)14)12-5-3-9-17-10-12/h1-6,9-10,14-16H,7-8H2
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n/an/a 8.70E+4n/an/an/an/an/an/a



Universität de Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Steroidgenic Cytochrome P450 17 alpha using rat testicular microsomes.

J Med Chem 39: 834-41 (1996)


Article DOI: 10.1021/jm950377t
BindingDB Entry DOI: 10.7270/Q29K499J
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		BDBM50049774
PNG
(5-(1a,2,3,7b-Tetrahydro-1H-cyclopropa[a]naphthalen...)
Show SMILES C1Cc2ccccc2C2C1C2c1cnc[nH]1
Show InChI InChI=1S/C14H14N2/c1-2-4-10-9(3-1)5-6-11-13(10)14(11)12-7-15-8-16-12/h1-4,7-8,11,13-14H,5-6H2,(H,15,16)
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n/an/a 9.00E+4n/an/an/an/an/an/a



Universität de Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Steroidgenic Cytochrome P450 17 alpha using rat testicular microsomes.

J Med Chem 39: 834-41 (1996)


Article DOI: 10.1021/jm950377t
BindingDB Entry DOI: 10.7270/Q29K499J
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50049774
PNG
(5-(1a,2,3,7b-Tetrahydro-1H-cyclopropa[a]naphthalen...)
Show SMILES C1Cc2ccccc2C2C1C2c1cnc[nH]1
Show InChI InChI=1S/C14H14N2/c1-2-4-10-9(3-1)5-6-11-13(10)14(11)12-7-15-8-16-12/h1-4,7-8,11,13-14H,5-6H2,(H,15,16)
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n/an/a 9.00E+4n/an/an/an/an/an/a



Universität de Saarlandes

Curated by ChEMBL


Assay Description
Inhibitory activity against Steroidgenic Cytochrome P450 C18 using Bovine adrenal mitochondria.

J Med Chem 39: 834-41 (1996)


Article DOI: 10.1021/jm950377t
BindingDB Entry DOI: 10.7270/Q29K499J
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50049769
PNG
(2-[1-Pyridazin-4-yl-meth-(E)-ylidene]-3,4-dihydro-...)
Show SMILES O=C1\C(CCc2ccccc12)=C\c1ccnnc1
Show InChI InChI=1S/C15H12N2O/c18-15-13(9-11-7-8-16-17-10-11)6-5-12-3-1-2-4-14(12)15/h1-4,7-10H,5-6H2/b13-9+
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n/an/a 1.03E+5n/an/an/an/an/an/a



Universität de Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Cytochrome P450 19A1 using human placental microsomes.

J Med Chem 39: 834-41 (1996)


Article DOI: 10.1021/jm950377t
BindingDB Entry DOI: 10.7270/Q29K499J
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50049767
PNG
(2-[1-Thiophen-3-yl-meth-(E)-ylidene]-3,4-dihydro-2...)
Show SMILES O=C1\C(CCc2ccccc12)=C\c1ccsc1
Show InChI InChI=1S/C15H12OS/c16-15-13(9-11-7-8-17-10-11)6-5-12-3-1-2-4-14(12)15/h1-4,7-10H,5-6H2/b13-9+
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n/an/a>2.50E+5n/an/an/an/an/an/a



Universität de Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Cytochrome P450 19A1 using human placental microsomes.

J Med Chem 39: 834-41 (1996)


Article DOI: 10.1021/jm950377t
BindingDB Entry DOI: 10.7270/Q29K499J
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50049770
PNG
(2-[1-Pyridin-2-yl-meth-(E)-ylidene]-3,4-dihydro-2H...)
Show SMILES O=C1\C(CCc2ccccc12)=C\c1ccccn1
Show InChI InChI=1S/C16H13NO/c18-16-13(11-14-6-3-4-10-17-14)9-8-12-5-1-2-7-15(12)16/h1-7,10-11H,8-9H2/b13-11+
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n/an/a>2.50E+5n/an/an/an/an/an/a



Universität de Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Cytochrome P450 19A1 using human placental microsomes.

J Med Chem 39: 834-41 (1996)


Article DOI: 10.1021/jm950377t
BindingDB Entry DOI: 10.7270/Q29K499J
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50049772
PNG
(3-(1a,2,3,7b-Tetrahydro-1H-cyclopropa[a]naphthalen...)
Show SMILES C1Cc2ccccc2C2C1C2c1ccsc1
Show InChI InChI=1S/C15H14S/c1-2-4-12-10(3-1)5-6-13-14(15(12)13)11-7-8-16-9-11/h1-4,7-9,13-15H,5-6H2
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n/an/a>2.50E+5n/an/an/an/an/an/a



Universität de Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Cytochrome P450 19A1 using human placental microsomes.

J Med Chem 39: 834-41 (1996)


Article DOI: 10.1021/jm950377t
BindingDB Entry DOI: 10.7270/Q29K499J
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50049761
PNG
(2-(Hydroxy-pyrazin-2-yl-methyl)-3,4-dihydro-2H-nap...)
Show SMILES OC(C1CCc2ccccc2C1=O)c1cnccn1
Show InChI InChI=1S/C15H14N2O2/c18-14-11-4-2-1-3-10(11)5-6-12(14)15(19)13-9-16-7-8-17-13/h1-4,7-9,12,15,19H,5-6H2
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n/an/a>2.50E+5n/an/an/an/an/an/a



Universität de Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Cytochrome P450 19A1 using human placental microsomes.

J Med Chem 39: 834-41 (1996)


Article DOI: 10.1021/jm950377t
BindingDB Entry DOI: 10.7270/Q29K499J
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50049771
PNG
(2-(1a,2,3,7b-Tetrahydro-1H-cyclopropa[a]naphthalen...)
Show SMILES C1Cc2ccccc2C2C1C2c1ccccn1
Show InChI InChI=1S/C16H15N/c1-2-6-12-11(5-1)8-9-13-15(12)16(13)14-7-3-4-10-17-14/h1-7,10,13,15-16H,8-9H2
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n/an/a>2.50E+5n/an/an/an/an/an/a



Universität de Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Cytochrome P450 19A1 using human placental microsomes.

J Med Chem 39: 834-41 (1996)


Article DOI: 10.1021/jm950377t
BindingDB Entry DOI: 10.7270/Q29K499J
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50049780
PNG
(2-(Hydroxy-pyridazin-3-yl-methyl)-3,4-dihydro-2H-n...)
Show SMILES OC(C1CCc2ccccc2C1=O)c1cccnn1
Show InChI InChI=1S/C15H14N2O2/c18-14-11-5-2-1-4-10(11)7-8-12(14)15(19)13-6-3-9-16-17-13/h1-6,9,12,15,19H,7-8H2
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n/an/a>2.50E+5n/an/an/an/an/an/a



Universität de Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Cytochrome P450 19A1 using human placental microsomes.

J Med Chem 39: 834-41 (1996)


Article DOI: 10.1021/jm950377t
BindingDB Entry DOI: 10.7270/Q29K499J
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50049782
PNG
(2-[1-(2-Amino-thiazol-5-yl)-meth-(E)-ylidene]-3,4-...)
Show SMILES Nc1ncc(\C=C2/CCc3ccccc3C2=O)s1
Show InChI InChI=1S/C14H12N2OS/c15-14-16-8-11(18-14)7-10-6-5-9-3-1-2-4-12(9)13(10)17/h1-4,7-8H,5-6H2,(H2,15,16)/b10-7+
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n/an/a>2.50E+5n/an/an/an/an/an/a



Universität de Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Cytochrome P450 19A1 using human placental microsomes.

J Med Chem 39: 834-41 (1996)


Article DOI: 10.1021/jm950377t
BindingDB Entry DOI: 10.7270/Q29K499J
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50049781
PNG
(2-(Hydroxy-pyridazin-4-yl-methyl)-3,4-dihydro-2H-n...)
Show SMILES OC(C1CCc2ccccc2C1=O)c1ccnnc1
Show InChI InChI=1S/C15H14N2O2/c18-14(11-7-8-16-17-9-11)13-6-5-10-3-1-2-4-12(10)15(13)19/h1-4,7-9,13-14,18H,5-6H2
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n/an/a>2.50E+5n/an/an/an/an/an/a



Universität de Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Cytochrome P450 19A1 using human placental microsomes.

J Med Chem 39: 834-41 (1996)


Article DOI: 10.1021/jm950377t
BindingDB Entry DOI: 10.7270/Q29K499J
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50049766
PNG
(1-Phenyl-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naph...)
Show SMILES C1Cc2ccccc2C2C1C2c1ccccc1
Show InChI InChI=1S/C17H16/c1-2-7-13(8-3-1)16-15-11-10-12-6-4-5-9-14(12)17(15)16/h1-9,15-17H,10-11H2
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n/an/a>2.50E+5n/an/an/an/an/an/a



Universität de Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Cytochrome P450 19A1 using human placental microsomes.

J Med Chem 39: 834-41 (1996)


Article DOI: 10.1021/jm950377t
BindingDB Entry DOI: 10.7270/Q29K499J
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50049779
PNG
(2-[1-Phenyl-meth-(E)-ylidene]-3,4-dihydro-2H-napht...)
Show SMILES O=C1\C(CCc2ccccc12)=C\c1ccccc1
Show InChI InChI=1S/C17H14O/c18-17-15(12-13-6-2-1-3-7-13)11-10-14-8-4-5-9-16(14)17/h1-9,12H,10-11H2/b15-12+
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n/an/a>2.50E+5n/an/an/an/an/an/a



Universität de Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Cytochrome P450 19A1 using human placental microsomes.

J Med Chem 39: 834-41 (1996)


Article DOI: 10.1021/jm950377t
BindingDB Entry DOI: 10.7270/Q29K499J
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50049764
PNG
(2-[1-Pyridazin-3-yl-meth-(E)-ylidene]-3,4-dihydro-...)
Show SMILES O=C1\C(CCc2ccccc12)=C\c1cccnn1
Show InChI InChI=1S/C15H12N2O/c18-15-12(10-13-5-3-9-16-17-13)8-7-11-4-1-2-6-14(11)15/h1-6,9-10H,7-8H2/b12-10+
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n/an/a>2.50E+5n/an/an/an/an/an/a



Universität de Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Cytochrome P450 19A1 using human placental microsomes.

J Med Chem 39: 834-41 (1996)


Article DOI: 10.1021/jm950377t
BindingDB Entry DOI: 10.7270/Q29K499J
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%