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Compile Data Set for Download or QSAR

Found 76 hits with Last Name = 'bayer' and Initial = 'h'   
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


(Homo sapiens (Human))
BDBM50009606
PNG
(5-Hydroxy-2-pyridin-4-ylmethyl-3,4-dihydro-2H-naph...)
Show SMILES Oc1cccc2C(=O)C(Cc3ccncc3)CCc12
Show InChI InChI=1S/C16H15NO2/c18-15-3-1-2-14-13(15)5-4-12(16(14)19)10-11-6-8-17-9-7-11/h1-3,6-9,12,18H,4-5,10H2
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n/an/a 200n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human placental Cytochrome P450 19A was determined using [1beta,2beta-3H]testosterone as radioligand


J Med Chem 34: 2685-91 (1991)


BindingDB Entry DOI: 10.7270/Q2ST7NT9
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50009606
PNG
(5-Hydroxy-2-pyridin-4-ylmethyl-3,4-dihydro-2H-naph...)
Show SMILES Oc1cccc2C(=O)C(Cc3ccncc3)CCc12
Show InChI InChI=1S/C16H15NO2/c18-15-3-1-2-14-13(15)5-4-12(16(14)19)10-11-6-8-17-9-7-11/h1-3,6-9,12,18H,4-5,10H2
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n/an/a 210n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Aromatase was determined using [1-beta,2beta-3H]testosterone as radioligand


J Med Chem 34: 2685-91 (1991)


BindingDB Entry DOI: 10.7270/Q2ST7NT9
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50009606
PNG
(5-Hydroxy-2-pyridin-4-ylmethyl-3,4-dihydro-2H-naph...)
Show SMILES Oc1cccc2C(=O)C(Cc3ccncc3)CCc12
Show InChI InChI=1S/C16H15NO2/c18-15-3-1-2-14-13(15)5-4-12(16(14)19)10-11-6-8-17-9-7-11/h1-3,6-9,12,18H,4-5,10H2
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n/an/a 210n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Aromatase was determined using [1beta,2beta-3H]testosterone as radioligand


J Med Chem 34: 2685-91 (1991)


BindingDB Entry DOI: 10.7270/Q2ST7NT9
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50041318
PNG
(4-(6-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-ylmet...)
Show SMILES COc1ccc2CC(Cc3ccncc3)CCc2c1
Show InChI InChI=1S/C17H19NO/c1-19-17-5-4-15-11-14(2-3-16(15)12-17)10-13-6-8-18-9-7-13/h4-9,12,14H,2-3,10-11H2,1H3
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n/an/a 230n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
Inhibition of human Placental Cytochrome P450 19A1 in vitro using human placental microsomes and testosterone


J Med Chem 37: 1275-81 (1994)


BindingDB Entry DOI: 10.7270/Q2XD10QX
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50041323
PNG
(4-(5-Methoxy-indan-2-ylmethyl)-pyridine | CHEMBL23...)
Show SMILES COc1ccc2CC(Cc3ccncc3)Cc2c1
Show InChI InChI=1S/C16H17NO/c1-18-16-3-2-14-9-13(10-15(14)11-16)8-12-4-6-17-7-5-12/h2-7,11,13H,8-10H2,1H3
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n/an/a 240n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
Inhibition of human Placental Cytochrome P450 19A1 in vitro using human placental microsomes and testosterone


J Med Chem 37: 1275-81 (1994)


BindingDB Entry DOI: 10.7270/Q2XD10QX
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
Aromatase


(Homo sapiens (Human))
BDBM50041311
PNG
(6-Pyridin-4-ylmethyl-5,6,7,8-tetrahydro-naphthalen...)
Show SMILES Oc1cccc2CC(Cc3ccncc3)CCc12
Show InChI InChI=1S/C16H17NO/c18-16-3-1-2-14-11-13(4-5-15(14)16)10-12-6-8-17-9-7-12/h1-3,6-9,13,18H,4-5,10-11H2
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n/an/a 530n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
Inhibition of human Placental Cytochrome P450 19A1 in vitro using human placental microsomes and testosterone


J Med Chem 37: 1275-81 (1994)


BindingDB Entry DOI: 10.7270/Q2XD10QX
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50041327
PNG
(4-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-ylmet...)
Show SMILES COc1cccc2CC(Cc3ccncc3)CCc12
Show InChI InChI=1S/C17H19NO/c1-19-17-4-2-3-15-12-14(5-6-16(15)17)11-13-7-9-18-10-8-13/h2-4,7-10,14H,5-6,11-12H2,1H3
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n/an/a 590n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
Inhibition of human Placental Cytochrome P450 19A1 in vitro using human placental microsomes and testosterone


J Med Chem 37: 1275-81 (1994)


BindingDB Entry DOI: 10.7270/Q2XD10QX
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))
BDBM50009607
PNG
(5-Hydroxy-2-pyridin-4-ylmethylene-3,4-dihydro-2H-n...)
Show SMILES Oc1cccc2C(=O)\C(CCc12)=C\c1ccncc1
Show InChI InChI=1S/C16H13NO2/c18-15-3-1-2-14-13(15)5-4-12(16(14)19)10-11-6-8-17-9-7-11/h1-3,6-10,18H,4-5H2/b12-10+
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n/an/a 690n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Aromatase was determined using [1beta,2beta-3H]testosterone as radioligand


J Med Chem 34: 2685-91 (1991)


BindingDB Entry DOI: 10.7270/Q2ST7NT9
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50041313
PNG
(6-Pyridin-4-ylmethyl-5,6,7,8-tetrahydro-naphthalen...)
Show SMILES Oc1ccc2CC(Cc3ccncc3)CCc2c1
Show InChI InChI=1S/C16H17NO/c18-16-4-3-14-10-13(1-2-15(14)11-16)9-12-5-7-17-8-6-12/h3-8,11,13,18H,1-2,9-10H2
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n/an/a 750n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
Inhibition of human Placental Cytochrome P450 19A1 in vitro using human placental microsomes and testosterone


J Med Chem 37: 1275-81 (1994)


BindingDB Entry DOI: 10.7270/Q2XD10QX
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
Aromatase


(Homo sapiens (Human))
BDBM50041317
PNG
(2-Pyridin-4-ylmethyl-indan-4-ol | CHEMBL23485)
Show SMILES Oc1cccc2CC(Cc3ccncc3)Cc12
Show InChI InChI=1S/C15H15NO/c17-15-3-1-2-13-9-12(10-14(13)15)8-11-4-6-16-7-5-11/h1-7,12,17H,8-10H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
Inhibition of human Placental Cytochrome P450 19A1 in vitro using human placental microsomes and testosterone


J Med Chem 37: 1275-81 (1994)


BindingDB Entry DOI: 10.7270/Q2XD10QX
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50041329
PNG
(4-(1,2,3,4-Tetrahydro-naphthalen-2-ylmethyl)-pyrid...)
Show SMILES C(C1CCc2ccccc2C1)c1ccncc1
Show InChI InChI=1S/C16H17N/c1-2-4-16-12-14(5-6-15(16)3-1)11-13-7-9-17-10-8-13/h1-4,7-10,14H,5-6,11-12H2
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n/an/a 1.20E+3n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
Inhibition of human Placental Cytochrome P450 19A1 in vitro using human placental microsomes and testosterone


J Med Chem 37: 1275-81 (1994)


BindingDB Entry DOI: 10.7270/Q2XD10QX
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50041324
PNG
(7-Pyridin-4-ylmethyl-5,6,7,8-tetrahydro-naphthalen...)
Show SMILES Oc1ccc2CCC(Cc3ccncc3)Cc2c1
Show InChI InChI=1S/C16H17NO/c18-16-4-3-14-2-1-13(10-15(14)11-16)9-12-5-7-17-8-6-12/h3-8,11,13,18H,1-2,9-10H2
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n/an/a 1.30E+3n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
Inhibition of human Placental Cytochrome P450 19A1 in vitro using human placental microsomes and testosterone


J Med Chem 37: 1275-81 (1994)


BindingDB Entry DOI: 10.7270/Q2XD10QX
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50041335
PNG
(2-Pyridin-4-ylmethyl-indan-5-ol | CHEMBL24014)
Show SMILES Oc1ccc2CC(Cc3ccncc3)Cc2c1
Show InChI InChI=1S/C15H15NO/c17-15-2-1-13-8-12(9-14(13)10-15)7-11-3-5-16-6-4-11/h1-6,10,12,17H,7-9H2
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n/an/a 1.90E+3n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
Inhibition of human Placental Cytochrome P450 19A1 in vitro using human placental microsomes and testosterone


J Med Chem 37: 1275-81 (1994)


BindingDB Entry DOI: 10.7270/Q2XD10QX
More data for this
Ligand-Target Pair
Aromatase


(Rattus norvegicus)
BDBM50009606
PNG
(5-Hydroxy-2-pyridin-4-ylmethyl-3,4-dihydro-2H-naph...)
Show SMILES Oc1cccc2C(=O)C(Cc3ccncc3)CCc12
Show InChI InChI=1S/C16H15NO2/c18-15-3-1-2-14-13(15)5-4-12(16(14)19)10-11-6-8-17-9-7-11/h1-3,6-9,12,18H,4-5,10H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibition of rat ovarian aromatase cytochrome P450 19A1


J Med Chem 34: 2685-91 (1991)


BindingDB Entry DOI: 10.7270/Q2ST7NT9
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50009618
PNG
(5-Methoxy-2-pyridin-4-ylmethyl-3,4-dihydro-2H-naph...)
Show SMILES COc1cccc2C(=O)C(Cc3ccncc3)CCc12
Show InChI InChI=1S/C17H17NO2/c1-20-16-4-2-3-15-14(16)6-5-13(17(15)19)11-12-7-9-18-10-8-12/h2-4,7-10,13H,5-6,11H2,1H3
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n/an/a 2.20E+3n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Aromatase was determined using [1beta,2beta-3H]testosterone as radioligand


J Med Chem 34: 2685-91 (1991)


BindingDB Entry DOI: 10.7270/Q2ST7NT9
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50041326
PNG
(4-((2,3-dihydro-1H-inden-2-yl)methyl)pyridine | 4-...)
Show SMILES C(C1Cc2ccccc2C1)c1ccncc1
Show InChI InChI=1S/C15H15N/c1-2-4-15-11-13(10-14(15)3-1)9-12-5-7-16-8-6-12/h1-8,13H,9-11H2
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n/an/a 2.40E+3n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
Inhibition of human Placental Cytochrome P450 19A1 in vitro using human placental microsomes and testosterone


J Med Chem 37: 1275-81 (1994)


BindingDB Entry DOI: 10.7270/Q2XD10QX
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))
BDBM50009616
PNG
(7-Hydroxy-2-pyridin-4-ylmethylene-3,4-dihydro-2H-n...)
Show SMILES Oc1ccc2CC\C(=C/c3ccncc3)C(=O)c2c1
Show InChI InChI=1S/C16H13NO2/c18-14-4-3-12-1-2-13(16(19)15(12)10-14)9-11-5-7-17-8-6-11/h3-10,18H,1-2H2/b13-9+
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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 inhibitory concentration against Aromatase was determined using [1beta,2beta-3H]testosterone as radioligand


J Med Chem 34: 2685-91 (1991)


BindingDB Entry DOI: 10.7270/Q2ST7NT9
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50009608
PNG
(6-Methoxy-2-pyridin-4-ylmethyl-3,4-dihydro-2H-naph...)
Show SMILES COc1ccc2C(=O)C(Cc3ccncc3)CCc2c1
Show InChI InChI=1S/C17H17NO2/c1-20-15-4-5-16-13(11-15)2-3-14(17(16)19)10-12-6-8-18-9-7-12/h4-9,11,14H,2-3,10H2,1H3
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n/an/a 3.30E+3n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Aromatase was determined using [1beta,2beta-3H]testosterone as radioligand


J Med Chem 34: 2685-91 (1991)


BindingDB Entry DOI: 10.7270/Q2ST7NT9
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))
BDBM50041316
PNG
(5-Methoxy-2-pyridin-4-ylmethyl-indan-1-one | CHEMB...)
Show SMILES COc1ccc2C(=O)C(Cc3ccncc3)Cc2c1
Show InChI InChI=1S/C16H15NO2/c1-19-14-2-3-15-12(10-14)9-13(16(15)18)8-11-4-6-17-7-5-11/h2-7,10,13H,8-9H2,1H3
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n/an/a 3.40E+3n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
Inhibition of human Placental Cytochrome P450 19A1 in vitro using human placental microsomes and testosterone


J Med Chem 37: 1275-81 (1994)


BindingDB Entry DOI: 10.7270/Q2XD10QX
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50041330
PNG
((Z)-4-methoxy-2-(pyridin-4-ylmethylene)-2,3-dihydr...)
Show SMILES COc1cccc2C(=O)\C(Cc12)=C/c1ccncc1
Show InChI InChI=1S/C16H13NO2/c1-19-15-4-2-3-13-14(15)10-12(16(13)18)9-11-5-7-17-8-6-11/h2-9H,10H2,1H3/b12-9-
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n/an/a 3.70E+3n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
Inhibition of human Placental Cytochrome P450 19A1 in vitro using human placental microsomes and testosterone


J Med Chem 37: 1275-81 (1994)


BindingDB Entry DOI: 10.7270/Q2XD10QX
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50041331
PNG
(4-Hydroxy-2-pyridin-4-ylmethyl-indan-1-one | CHEMB...)
Show SMILES Oc1cccc2C(=O)C(Cc3ccncc3)Cc12
Show InChI InChI=1S/C15H13NO2/c17-14-3-1-2-12-13(14)9-11(15(12)18)8-10-4-6-16-7-5-10/h1-7,11,17H,8-9H2
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n/an/a 4.20E+3n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
Inhibition of human Placental Cytochrome P450 19A1 in vitro using human placental microsomes and testosterone


J Med Chem 37: 1275-81 (1994)


BindingDB Entry DOI: 10.7270/Q2XD10QX
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))
BDBM50009614
PNG
(2-Pyridin-4-ylmethyl-3,4-dihydro-2H-naphthalen-1-o...)
Show SMILES O=C1C(Cc2ccncc2)CCc2ccccc12
Show InChI InChI=1S/C16H15NO/c18-16-14(11-12-7-9-17-10-8-12)6-5-13-3-1-2-4-15(13)16/h1-4,7-10,14H,5-6,11H2
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n/an/a 4.30E+3n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Aromatase was determined using [1beta,2beta-3H]testosterone as radioligand


J Med Chem 34: 2685-91 (1991)


BindingDB Entry DOI: 10.7270/Q2ST7NT9
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50041333
PNG
(4-(7-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-ylmet...)
Show SMILES COc1ccc2CCC(Cc3ccncc3)Cc2c1
Show InChI InChI=1S/C17H19NO/c1-19-17-5-4-15-3-2-14(11-16(15)12-17)10-13-6-8-18-9-7-13/h4-9,12,14H,2-3,10-11H2,1H3
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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 in vitro using human placental microsomes and testosterone


J Med Chem 37: 1275-81 (1994)


BindingDB Entry DOI: 10.7270/Q2XD10QX
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50041319
PNG
((E)-5-methoxy-2-(pyridin-4-ylmethylene)-2,3-dihydr...)
Show SMILES COc1ccc2C(=O)\C(Cc2c1)=C\c1ccncc1
Show InChI InChI=1S/C16H13NO2/c1-19-14-2-3-15-12(10-14)9-13(16(15)18)8-11-4-6-17-7-5-11/h2-8,10H,9H2,1H3/b13-8+
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n/an/a 4.80E+3n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
Inhibition of human Placental Cytochrome P450 19A1 in vitro using human placental microsomes and testosterone


J Med Chem 37: 1275-81 (1994)


BindingDB Entry DOI: 10.7270/Q2XD10QX
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50009615
PNG
(7-Hydroxy-2-pyridin-4-ylmethyl-3,4-dihydro-2H-naph...)
Show SMILES Oc1ccc2CCC(Cc3ccncc3)C(=O)c2c1
Show InChI InChI=1S/C16H15NO2/c18-14-4-3-12-1-2-13(16(19)15(12)10-14)9-11-5-7-17-8-6-11/h3-8,10,13,18H,1-2,9H2
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n/an/a 4.90E+3n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Aromatase was determined using [1beta,2beta-3H]testosterone as radioligand


J Med Chem 34: 2685-91 (1991)


BindingDB Entry DOI: 10.7270/Q2ST7NT9
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


(Homo sapiens (Human))
BDBM50041332
PNG
((Z)-2-(pyridin-4-ylmethylene)-2,3-dihydroinden-1-o...)
Show SMILES O=C1\C(Cc2ccccc12)=C/c1ccncc1
Show InChI InChI=1S/C15H11NO/c17-15-13(9-11-5-7-16-8-6-11)10-12-3-1-2-4-14(12)15/h1-9H,10H2/b13-9-
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n/an/a 5.50E+3n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
Inhibition of human Placental Cytochrome P450 19A1 in vitro using human placental microsomes and testosterone


J Med Chem 37: 1275-81 (1994)


BindingDB Entry DOI: 10.7270/Q2XD10QX
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50009617
PNG
(6-Hydroxy-2-pyridin-4-ylmethyl-3,4-dihydro-2H-naph...)
Show SMILES Oc1ccc2C(=O)C(Cc3ccncc3)CCc2c1
Show InChI InChI=1S/C16H15NO2/c18-14-3-4-15-12(10-14)1-2-13(16(15)19)9-11-5-7-17-8-6-11/h3-8,10,13,18H,1-2,9H2
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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 inhibitory concentration against Aromatase was determined using [1beta,2beta-3H]testosterone as radioligand


J Med Chem 34: 2685-91 (1991)


BindingDB Entry DOI: 10.7270/Q2ST7NT9
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
Aromatase


(Homo sapiens (Human))
BDBM50009612
PNG
(5-Methoxy-2-pyridin-4-ylmethylene-3,4-dihydro-2H-n...)
Show SMILES COc1cccc2C(=O)\C(CCc12)=C\c1ccncc1
Show InChI InChI=1S/C17H15NO2/c1-20-16-4-2-3-15-14(16)6-5-13(17(15)19)11-12-7-9-18-10-8-12/h2-4,7-11H,5-6H2,1H3/b13-11+
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n/an/a 6.30E+3n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human placental Cytochrome P450 19A was determined using [1beta,2beta-3H]testosterone as radioligand


J Med Chem 34: 2685-91 (1991)


BindingDB Entry DOI: 10.7270/Q2ST7NT9
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50041334
PNG
((Z)-5-methoxy-2-(pyridin-4-ylmethylene)-2,3-dihydr...)
Show SMILES COc1ccc2C(=O)\C(Cc2c1)=C/c1ccncc1
Show InChI InChI=1S/C16H13NO2/c1-19-14-2-3-15-12(10-14)9-13(16(15)18)8-11-4-6-17-7-5-11/h2-8,10H,9H2,1H3/b13-8-
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n/an/a 6.30E+3n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
Inhibition of human Placental Cytochrome P450 19A1 in vitro using human placental microsomes and testosterone


J Med Chem 37: 1275-81 (1994)


BindingDB Entry DOI: 10.7270/Q2XD10QX
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50041321
PNG
(4-(4-Methoxy-indan-2-ylmethyl)-pyridine | CHEMBL24...)
Show SMILES COc1cccc2CC(Cc3ccncc3)Cc12
Show InChI InChI=1S/C16H17NO/c1-18-16-4-2-3-14-10-13(11-15(14)16)9-12-5-7-17-8-6-12/h2-8,13H,9-11H2,1H3
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n/an/a 6.40E+3n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
Inhibition of human Placental Cytochrome P450 19A1 in vitro using human placental microsomes and testosterone


J Med Chem 37: 1275-81 (1994)


BindingDB Entry DOI: 10.7270/Q2XD10QX
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


(Rattus norvegicus)
BDBM50009618
PNG
(5-Methoxy-2-pyridin-4-ylmethyl-3,4-dihydro-2H-naph...)
Show SMILES COc1cccc2C(=O)C(Cc3ccncc3)CCc12
Show InChI InChI=1S/C17H17NO2/c1-20-16-4-2-3-15-14(16)6-5-13(17(15)19)11-12-7-9-18-10-8-12/h2-4,7-10,13H,5-6,11H2,1H3
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n/an/a 8.00E+3n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibition of rat ovarian aromatase cytochrome P450 19A1


J Med Chem 34: 2685-91 (1991)


BindingDB Entry DOI: 10.7270/Q2ST7NT9
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50009609
PNG
(6-Hydroxy-2-pyridin-4-ylmethylene-3,4-dihydro-2H-n...)
Show SMILES Oc1ccc2C(=O)\C(CCc2c1)=C\c1ccncc1
Show InChI InChI=1S/C16H13NO2/c18-14-3-4-15-12(10-14)1-2-13(16(15)19)9-11-5-7-17-8-6-11/h3-10,18H,1-2H2/b13-9+
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n/an/a 8.60E+3n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Aromatase was determined using [1beta,2beta-3H]testosterone as radioligand


J Med Chem 34: 2685-91 (1991)


BindingDB Entry DOI: 10.7270/Q2ST7NT9
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50009610
PNG
(6-Methoxy-2-pyridin-4-ylmethylene-3,4-dihydro-2H-n...)
Show SMILES COc1ccc2C(=O)\C(CCc2c1)=C\c1ccncc1
Show InChI InChI=1S/C17H15NO2/c1-20-15-4-5-16-13(11-15)2-3-14(17(16)19)10-12-6-8-18-9-7-12/h4-11H,2-3H2,1H3/b14-10+
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n/an/a 8.90E+3n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human placental Cytochrome P450 19A was determined using [1beta,2beta-3H]testosterone as radioligand


J Med Chem 34: 2685-91 (1991)


BindingDB Entry DOI: 10.7270/Q2ST7NT9
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50041315
PNG
(5-Hydroxy-2-pyridin-4-ylmethyl-indan-1-one | CHEMB...)
Show SMILES Oc1ccc2C(=O)C(Cc3ccncc3)Cc2c1
Show InChI InChI=1S/C15H13NO2/c17-13-1-2-14-11(9-13)8-12(15(14)18)7-10-3-5-16-6-4-10/h1-6,9,12,17H,7-8H2
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n/an/a 9.30E+3n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
Inhibition of human Placental Cytochrome P450 19A1 in vitro using human placental microsomes and testosterone


J Med Chem 37: 1275-81 (1994)


BindingDB Entry DOI: 10.7270/Q2XD10QX
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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PubMed
n/an/a 9.30E+3n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human placental Cytochrome P450 19A was determined using [1beta,2beta-3H]testosterone as radioligand


J Med Chem 34: 2685-91 (1991)


BindingDB Entry DOI: 10.7270/Q2ST7NT9
More data for this
Ligand-Target Pair
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