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Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with all data for entry = 50005817   
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))
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


(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
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))
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


(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
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))
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))
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))
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
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))
BDBM50041325
PNG
(4-Methoxy-2-pyridin-4-ylmethyl-indan-1-one | CHEMB...)
Show SMILES COc1cccc2C(=O)C(Cc3ccncc3)Cc12
Show InChI InChI=1S/C16H15NO2/c1-19-15-4-2-3-13-14(15)10-12(16(13)18)9-11-5-7-17-8-6-11/h2-8,12H,9-10H2,1H3
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n/an/a 1.40E+4n/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))
BDBM50041328
PNG
(2-Pyridin-4-ylmethyl-indan-1-one | CHEMBL23484)
Show SMILES O=C1C(Cc2ccncc2)Cc2ccccc12
Show InChI InChI=1S/C15H13NO/c17-15-13(9-11-5-7-16-8-6-11)10-12-3-1-2-4-14(12)15/h1-8,13H,9-10H2
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n/an/a 1.70E+4n/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))
BDBM50041322
PNG
((E)-5-hydroxy-2-(pyridin-4-ylmethylene)-2,3-dihydr...)
Show SMILES Oc1ccc2C(=O)\C(Cc2c1)=C\c1ccncc1
Show InChI InChI=1S/C15H11NO2/c17-13-1-2-14-11(9-13)8-12(15(14)18)7-10-3-5-16-6-4-10/h1-7,9,17H,8H2/b12-7+
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n/an/a>1.90E+4n/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))
BDBM50041320
PNG
(4-Hydroxy-2-[1-pyridin-4-yl-meth-(E)-ylidene]-inda...)
Show SMILES Oc1cccc2C(=O)\C(Cc12)=C\c1ccncc1
Show InChI InChI=1S/C15H11NO2/c17-14-3-1-2-12-13(14)9-11(15(12)18)8-10-4-6-16-7-5-10/h1-8,17H,9H2/b11-8+
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UniChem

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n/an/a 2.20E+4n/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))
BDBM50041312
PNG
(4-Methoxy-2-[1-pyridin-4-yl-meth-(E)-ylidene]-inda...)
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 2.30E+4n/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))
BDBM50041314
PNG
((E)-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 2.50E+4n/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