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PubMed code 24025069

Compile data set for download or QSAR
Found 36 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))		BDBM50442322
PNG
(CHEMBL2442760)
Show SMILES CCn1ccc2c1ccc1nc(cc(Cn3ccnc3)c21)-c1ccccc1
Show InChI InChI=1S/C23H20N4/c1-2-27-12-10-19-22(27)9-8-20-23(19)18(15-26-13-11-24-16-26)14-21(25-20)17-6-4-3-5-7-17/h3-14,16H,2,15H2,1H3
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n/an/a 3.10n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin) using 7-methoxy-4-trifluoromethylcoumarin as substrate after 30 mins by fluorimetric analysis

J Med Chem 56: 7536-51 (2013)


Article DOI: 10.1021/jm400377z
BindingDB Entry DOI: 10.7270/Q2M046WV
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM13061
PNG
(4,4 -(1H-1,2,4-triazol-1-ylmethanediyl)dibenzonitr...)
Show SMILES N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1cncn1
Show InChI InChI=1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H
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n/an/a 3.40n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin) using 7-methoxy-4-trifluoromethylcoumarin as substrate after 30 mins by fluorimetric analysis

J Med Chem 56: 7536-51 (2013)


Article DOI: 10.1021/jm400377z
BindingDB Entry DOI: 10.7270/Q2M046WV
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50442326
PNG
(CHEMBL2442758)
Show SMILES CCn1ccc2c1ccc1c(Cn3ccnc3)cc(nc21)-c1ccccc1
Show InChI InChI=1S/C23H20N4/c1-2-27-12-10-20-22(27)9-8-19-18(15-26-13-11-24-16-26)14-21(25-23(19)20)17-6-4-3-5-7-17/h3-14,16H,2,15H2,1H3
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n/an/a 5.30n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin) using 7-methoxy-4-trifluoromethylcoumarin as substrate after 30 mins by fluorimetric analysis

J Med Chem 56: 7536-51 (2013)


Article DOI: 10.1021/jm400377z
BindingDB Entry DOI: 10.7270/Q2M046WV
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50442323
PNG
(CHEMBL2442759)
Show SMILES Cc1cc(Cn2ccnc2)c2ccc3[nH]ccc3c2n1
Show InChI InChI=1S/C16H14N4/c1-11-8-12(9-20-7-6-17-10-20)13-2-3-15-14(4-5-18-15)16(13)19-11/h2-8,10,18H,9H2,1H3
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n/an/a 6n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin) using 7-methoxy-4-trifluoromethylcoumarin as substrate after 30 mins by fluorimetric analysis

J Med Chem 56: 7536-51 (2013)


Article DOI: 10.1021/jm400377z
BindingDB Entry DOI: 10.7270/Q2M046WV
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50442325
PNG
(CHEMBL2442756)
Show SMILES C(c1cc(nc2c3cc[nH]c3ccc12)-c1ccccc1)n1ccnc1
Show InChI InChI=1S/C21H16N4/c1-2-4-15(5-3-1)20-12-16(13-25-11-10-22-14-25)17-6-7-19-18(8-9-23-19)21(17)24-20/h1-12,14,23H,13H2
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n/an/a 11n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin) using 7-methoxy-4-trifluoromethylcoumarin as substrate after 30 mins by fluorimetric analysis

J Med Chem 56: 7536-51 (2013)


Article DOI: 10.1021/jm400377z
BindingDB Entry DOI: 10.7270/Q2M046WV
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50442320
PNG
(CHEMBL2442762)
Show SMILES CCn1ccc2c1ccc1nc(cc(Cn3cncn3)c21)-c1ccccc1
Show InChI InChI=1S/C22H19N5/c1-2-26-11-10-18-21(26)9-8-19-22(18)17(13-27-15-23-14-24-27)12-20(25-19)16-6-4-3-5-7-16/h3-12,14-15H,2,13H2,1H3
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n/an/a 13n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin) using 7-methoxy-4-trifluoromethylcoumarin as substrate after 30 mins by fluorimetric analysis

J Med Chem 56: 7536-51 (2013)


Article DOI: 10.1021/jm400377z
BindingDB Entry DOI: 10.7270/Q2M046WV
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50442323
PNG
(CHEMBL2442759)
Show SMILES Cc1cc(Cn2ccnc2)c2ccc3[nH]ccc3c2n1
Show InChI InChI=1S/C16H14N4/c1-11-8-12(9-20-7-6-17-10-20)13-2-3-15-14(4-5-18-15)16(13)19-11/h2-8,10,18H,9H2,1H3
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n/an/a 75n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 56: 7536-51 (2013)


Article DOI: 10.1021/jm400377z
BindingDB Entry DOI: 10.7270/Q2M046WV
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50442325
PNG
(CHEMBL2442756)
Show SMILES C(c1cc(nc2c3cc[nH]c3ccc12)-c1ccccc1)n1ccnc1
Show InChI InChI=1S/C21H16N4/c1-2-4-15(5-3-1)20-12-16(13-25-11-10-22-14-25)17-6-7-19-18(8-9-23-19)21(17)24-20/h1-12,14,23H,13H2
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n/an/a 230n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 56: 7536-51 (2013)


Article DOI: 10.1021/jm400377z
BindingDB Entry DOI: 10.7270/Q2M046WV
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50442326
PNG
(CHEMBL2442758)
Show SMILES CCn1ccc2c1ccc1c(Cn3ccnc3)cc(nc21)-c1ccccc1
Show InChI InChI=1S/C23H20N4/c1-2-27-12-10-20-22(27)9-8-19-18(15-26-13-11-24-16-26)14-21(25-23(19)20)17-6-4-3-5-7-17/h3-14,16H,2,15H2,1H3
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n/an/a 250n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 56: 7536-51 (2013)


Article DOI: 10.1021/jm400377z
BindingDB Entry DOI: 10.7270/Q2M046WV
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50442324
PNG
(CHEMBL2442757)
Show SMILES COc1ccc(cc1)-c1cc(Cn2ccnc2)c2ccc3[nH]ccc3c2n1
Show InChI InChI=1S/C22H18N4O/c1-27-17-4-2-15(3-5-17)21-12-16(13-26-11-10-23-14-26)18-6-7-20-19(8-9-24-20)22(18)25-21/h2-12,14,24H,13H2,1H3
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n/an/a 454n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin) using 7-methoxy-4-trifluoromethylcoumarin as substrate after 30 mins by fluorimetric analysis

J Med Chem 56: 7536-51 (2013)


Article DOI: 10.1021/jm400377z
BindingDB Entry DOI: 10.7270/Q2M046WV
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50442326
PNG
(CHEMBL2442758)
Show SMILES CCn1ccc2c1ccc1c(Cn3ccnc3)cc(nc21)-c1ccccc1
Show InChI InChI=1S/C23H20N4/c1-2-27-12-10-20-22(27)9-8-19-18(15-26-13-11-24-16-26)14-21(25-23(19)20)17-6-4-3-5-7-17/h3-14,16H,2,15H2,1H3
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n/an/a 480n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli using progesterone as substrate NADPH as cofactor

J Med Chem 56: 7536-51 (2013)


Article DOI: 10.1021/jm400377z
BindingDB Entry DOI: 10.7270/Q2M046WV
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50442324
PNG
(CHEMBL2442757)
Show SMILES COc1ccc(cc1)-c1cc(Cn2ccnc2)c2ccc3[nH]ccc3c2n1
Show InChI InChI=1S/C22H18N4O/c1-27-17-4-2-15(3-5-17)21-12-16(13-26-11-10-23-14-26)18-6-7-20-19(8-9-24-20)22(18)25-21/h2-12,14,24H,13H2,1H3
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n/an/a 550n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli using progesterone as substrate NADPH as cofactor

J Med Chem 56: 7536-51 (2013)


Article DOI: 10.1021/jm400377z
BindingDB Entry DOI: 10.7270/Q2M046WV
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50442316
PNG
(CHEMBL2442766)
Show SMILES COc1cccc(c1)C1=CC(=O)c2ccc3N=CC=c3c2=N1 |c:17,19,23,t:9|
Show InChI InChI=1S/C18H12N2O2/c1-22-12-4-2-3-11(9-12)16-10-17(21)14-5-6-15-13(7-8-19-15)18(14)20-16/h2-10H,1H3
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n/an/a 590n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin) using 7-methoxy-4-trifluoromethylcoumarin as substrate after 30 mins by fluorimetric analysis

J Med Chem 56: 7536-51 (2013)


Article DOI: 10.1021/jm400377z
BindingDB Entry DOI: 10.7270/Q2M046WV
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50442325
PNG
(CHEMBL2442756)
Show SMILES C(c1cc(nc2c3cc[nH]c3ccc12)-c1ccccc1)n1ccnc1
Show InChI InChI=1S/C21H16N4/c1-2-4-15(5-3-1)20-12-16(13-25-11-10-22-14-25)17-6-7-19-18(8-9-23-19)21(17)24-20/h1-12,14,23H,13H2
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n/an/a 910n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli using progesterone as substrate NADPH as cofactor

J Med Chem 56: 7536-51 (2013)


Article DOI: 10.1021/jm400377z
BindingDB Entry DOI: 10.7270/Q2M046WV
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50442330
PNG
(CHEMBL2440145)
Show SMILES COc1ccc(cc1)-c1cc(CO)c2ccc3[nH]ccc3c2n1
Show InChI InChI=1S/C19H16N2O2/c1-23-14-4-2-12(3-5-14)18-10-13(11-22)15-6-7-17-16(8-9-20-17)19(15)21-18/h2-10,20,22H,11H2,1H3
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n/an/a 922n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin) using 7-methoxy-4-trifluoromethylcoumarin as substrate after 30 mins by fluorimetric analysis

J Med Chem 56: 7536-51 (2013)


Article DOI: 10.1021/jm400377z
BindingDB Entry DOI: 10.7270/Q2M046WV
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50442324
PNG
(CHEMBL2442757)
Show SMILES COc1ccc(cc1)-c1cc(Cn2ccnc2)c2ccc3[nH]ccc3c2n1
Show InChI InChI=1S/C22H18N4O/c1-27-17-4-2-15(3-5-17)21-12-16(13-26-11-10-23-14-26)18-6-7-20-19(8-9-24-20)22(18)25-21/h2-12,14,24H,13H2,1H3
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n/an/a 960n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 56: 7536-51 (2013)


Article DOI: 10.1021/jm400377z
BindingDB Entry DOI: 10.7270/Q2M046WV
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50442322
PNG
(CHEMBL2442760)
Show SMILES CCn1ccc2c1ccc1nc(cc(Cn3ccnc3)c21)-c1ccccc1
Show InChI InChI=1S/C23H20N4/c1-2-27-12-10-19-22(27)9-8-20-23(19)18(15-26-13-11-24-16-26)14-21(25-20)17-6-4-3-5-7-17/h3-14,16H,2,15H2,1H3
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n/an/a 1.01E+3n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 56: 7536-51 (2013)


Article DOI: 10.1021/jm400377z
BindingDB Entry DOI: 10.7270/Q2M046WV
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50442317
PNG
(CHEMBL2442765)
Show SMILES CCn1ccc2c1ccc1nc(cc(C(O)=O)c21)-c1ccccc1
Show InChI InChI=1S/C20H16N2O2/c1-2-22-11-10-14-18(22)9-8-16-19(14)15(20(23)24)12-17(21-16)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,23,24)
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n/an/a 1.47E+3n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin) using 7-methoxy-4-trifluoromethylcoumarin as substrate after 30 mins by fluorimetric analysis

J Med Chem 56: 7536-51 (2013)


Article DOI: 10.1021/jm400377z
BindingDB Entry DOI: 10.7270/Q2M046WV
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50442320
PNG
(CHEMBL2442762)
Show SMILES CCn1ccc2c1ccc1nc(cc(Cn3cncn3)c21)-c1ccccc1
Show InChI InChI=1S/C22H19N5/c1-2-26-11-10-18-21(26)9-8-19-22(18)17(13-27-15-23-14-24-27)12-20(25-19)16-6-4-3-5-7-16/h3-12,14-15H,2,13H2,1H3
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n/an/a 1.48E+3n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 56: 7536-51 (2013)


Article DOI: 10.1021/jm400377z
BindingDB Entry DOI: 10.7270/Q2M046WV
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50442331
PNG
(CHEMBL2442772)
Show SMILES OCc1cc(nc2c3cc[nH]c3ccc12)-c1ccccc1
Show InChI InChI=1S/C18H14N2O/c21-11-13-10-17(12-4-2-1-3-5-12)20-18-14(13)6-7-16-15(18)8-9-19-16/h1-10,19,21H,11H2
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n/an/a 2.11E+3n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin) using 7-methoxy-4-trifluoromethylcoumarin as substrate after 30 mins by fluorimetric analysis

J Med Chem 56: 7536-51 (2013)


Article DOI: 10.1021/jm400377z
BindingDB Entry DOI: 10.7270/Q2M046WV
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50442322
PNG
(CHEMBL2442760)
Show SMILES CCn1ccc2c1ccc1nc(cc(Cn3ccnc3)c21)-c1ccccc1
Show InChI InChI=1S/C23H20N4/c1-2-27-12-10-19-22(27)9-8-20-23(19)18(15-26-13-11-24-16-26)14-21(25-20)17-6-4-3-5-7-17/h3-14,16H,2,15H2,1H3
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n/an/a 2.16E+3n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli using progesterone as substrate NADPH as cofactor

J Med Chem 56: 7536-51 (2013)


Article DOI: 10.1021/jm400377z
BindingDB Entry DOI: 10.7270/Q2M046WV
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50442328
PNG
(CHEMBL2442754)
Show SMILES Cc1cc(CO)c2ccc3[nH]ccc3c2n1
Show InChI InChI=1S/C13H12N2O/c1-8-6-9(7-16)10-2-3-12-11(4-5-14-12)13(10)15-8/h2-6,14,16H,7H2,1H3
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n/an/a 4.15E+3n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin) using 7-methoxy-4-trifluoromethylcoumarin as substrate after 30 mins by fluorimetric analysis

J Med Chem 56: 7536-51 (2013)


Article DOI: 10.1021/jm400377z
BindingDB Entry DOI: 10.7270/Q2M046WV
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50442321
PNG
(CHEMBL2442761)
Show SMILES COc1ccc(cc1)-c1cc(Cn2cncn2)c2ccc3[nH]ccc3c2n1
Show InChI InChI=1S/C21H17N5O/c1-27-16-4-2-14(3-5-16)20-10-15(11-26-13-22-12-24-26)17-6-7-19-18(8-9-23-19)21(17)25-20/h2-10,12-13,23H,11H2,1H3
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n/an/a>5.00E+3n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli using progesterone as substrate NADPH as cofactor

J Med Chem 56: 7536-51 (2013)


Article DOI: 10.1021/jm400377z
BindingDB Entry DOI: 10.7270/Q2M046WV
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50442320
PNG
(CHEMBL2442762)
Show SMILES CCn1ccc2c1ccc1nc(cc(Cn3cncn3)c21)-c1ccccc1
Show InChI InChI=1S/C22H19N5/c1-2-26-11-10-18-21(26)9-8-19-22(18)17(13-27-15-23-14-24-27)12-20(25-19)16-6-4-3-5-7-16/h3-12,14-15H,2,13H2,1H3
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n/an/a>5.00E+3n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli using progesterone as substrate NADPH as cofactor

J Med Chem 56: 7536-51 (2013)


Article DOI: 10.1021/jm400377z
BindingDB Entry DOI: 10.7270/Q2M046WV
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50442321
PNG
(CHEMBL2442761)
Show SMILES COc1ccc(cc1)-c1cc(Cn2cncn2)c2ccc3[nH]ccc3c2n1
Show InChI InChI=1S/C21H17N5O/c1-27-16-4-2-14(3-5-16)20-10-15(11-26-13-22-12-24-26)17-6-7-19-18(8-9-23-19)21(17)25-20/h2-10,12-13,23H,11H2,1H3
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n/an/a>5.00E+3n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 56: 7536-51 (2013)


Article DOI: 10.1021/jm400377z
BindingDB Entry DOI: 10.7270/Q2M046WV
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50442323
PNG
(CHEMBL2442759)
Show SMILES Cc1cc(Cn2ccnc2)c2ccc3[nH]ccc3c2n1
Show InChI InChI=1S/C16H14N4/c1-11-8-12(9-20-7-6-17-10-20)13-2-3-15-14(4-5-18-15)16(13)19-11/h2-8,10,18H,9H2,1H3
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n/an/a>5.00E+3n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli using progesterone as substrate NADPH as cofactor

J Med Chem 56: 7536-51 (2013)


Article DOI: 10.1021/jm400377z
BindingDB Entry DOI: 10.7270/Q2M046WV
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50442318
PNG
(CHEMBL2442764)
Show SMILES Cc1cc(C(O)=O)c2ccc3[nH]ccc3c2n1
Show InChI InChI=1S/C13H10N2O2/c1-7-6-10(13(16)17)8-2-3-11-9(4-5-14-11)12(8)15-7/h2-6,14H,1H3,(H,16,17)
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n/an/a 6.20E+3n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin) using 7-methoxy-4-trifluoromethylcoumarin as substrate after 30 mins by fluorimetric analysis

J Med Chem 56: 7536-51 (2013)


Article DOI: 10.1021/jm400377z
BindingDB Entry DOI: 10.7270/Q2M046WV
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50442329
PNG
(CHEMBL2442753)
Show SMILES CCn1ccc2c1ccc1c(CO)cc(nc21)-c1ccccc1
Show InChI InChI=1S/C20H18N2O/c1-2-22-11-10-17-19(22)9-8-16-15(13-23)12-18(21-20(16)17)14-6-4-3-5-7-14/h3-12,23H,2,13H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin) using 7-methoxy-4-trifluoromethylcoumarin as substrate after 30 mins by fluorimetric analysis

J Med Chem 56: 7536-51 (2013)


Article DOI: 10.1021/jm400377z
BindingDB Entry DOI: 10.7270/Q2M046WV
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50442321
PNG
(CHEMBL2442761)
Show SMILES COc1ccc(cc1)-c1cc(Cn2cncn2)c2ccc3[nH]ccc3c2n1
Show InChI InChI=1S/C21H17N5O/c1-27-16-4-2-14(3-5-16)20-10-15(11-26-13-22-12-24-26)17-6-7-19-18(8-9-23-19)21(17)25-20/h2-10,12-13,23H,11H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin) using 7-methoxy-4-trifluoromethylcoumarin as substrate after 30 mins by fluorimetric analysis

J Med Chem 56: 7536-51 (2013)


Article DOI: 10.1021/jm400377z
BindingDB Entry DOI: 10.7270/Q2M046WV
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50442335
PNG
(CHEMBL2442768)
Show SMILES CCOC(=O)c1cc(nc2c3cc[nH]c3ccc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C21H18N2O3/c1-3-26-21(24)17-12-19(13-4-6-14(25-2)7-5-13)23-20-15(17)8-9-18-16(20)10-11-22-18/h4-12,22H,3H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin) using 7-methoxy-4-trifluoromethylcoumarin as substrate after 30 mins by fluorimetric analysis

J Med Chem 56: 7536-51 (2013)


Article DOI: 10.1021/jm400377z
BindingDB Entry DOI: 10.7270/Q2M046WV
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50442336
PNG
(CHEMBL2442767)
Show SMILES CCOC(=O)c1cc(nc2c3cc[nH]c3ccc12)-c1ccccc1
Show InChI InChI=1S/C20H16N2O2/c1-2-24-20(23)16-12-18(13-6-4-3-5-7-13)22-19-14(16)8-9-17-15(19)10-11-21-17/h3-12,21H,2H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin) using 7-methoxy-4-trifluoromethylcoumarin as substrate after 30 mins by fluorimetric analysis

J Med Chem 56: 7536-51 (2013)


Article DOI: 10.1021/jm400377z
BindingDB Entry DOI: 10.7270/Q2M046WV
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50442332
PNG
(CHEMBL2442771)
Show SMILES CCOC(=O)c1cc(nc2ccc3n(CC)ccc3c12)-c1ccccc1
Show InChI InChI=1S/C22H20N2O2/c1-3-24-13-12-16-20(24)11-10-18-21(16)17(22(25)26-4-2)14-19(23-18)15-8-6-5-7-9-15/h5-14H,3-4H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin) using 7-methoxy-4-trifluoromethylcoumarin as substrate after 30 mins by fluorimetric analysis

J Med Chem 56: 7536-51 (2013)


Article DOI: 10.1021/jm400377z
BindingDB Entry DOI: 10.7270/Q2M046WV
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50442319
PNG
(CHEMBL2442763)
Show SMILES COc1ccc(cc1)-c1cc(C(O)=O)c2ccc3[nH]ccc3c2n1
Show InChI InChI=1S/C19H14N2O3/c1-24-12-4-2-11(3-5-12)17-10-15(19(22)23)13-6-7-16-14(8-9-20-16)18(13)21-17/h2-10,20H,1H3,(H,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin) using 7-methoxy-4-trifluoromethylcoumarin as substrate after 30 mins by fluorimetric analysis

J Med Chem 56: 7536-51 (2013)


Article DOI: 10.1021/jm400377z
BindingDB Entry DOI: 10.7270/Q2M046WV
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50442334
PNG
(CHEMBL2442769)
Show SMILES CCOC(=O)c1cc(nc2c3ccn(CC)c3ccc12)-c1ccccc1
Show InChI InChI=1S/C22H20N2O2/c1-3-24-13-12-17-20(24)11-10-16-18(22(25)26-4-2)14-19(23-21(16)17)15-8-6-5-7-9-15/h5-14H,3-4H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin) using 7-methoxy-4-trifluoromethylcoumarin as substrate after 30 mins by fluorimetric analysis

J Med Chem 56: 7536-51 (2013)


Article DOI: 10.1021/jm400377z
BindingDB Entry DOI: 10.7270/Q2M046WV
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50442333
PNG
(CHEMBL2442770)
Show SMILES CCOC(=O)c1cc(C)nc2c3cc[nH]c3ccc12
Show InChI InChI=1S/C15H14N2O2/c1-3-19-15(18)12-8-9(2)17-14-10(12)4-5-13-11(14)6-7-16-13/h4-8,16H,3H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin) using 7-methoxy-4-trifluoromethylcoumarin as substrate after 30 mins by fluorimetric analysis

J Med Chem 56: 7536-51 (2013)


Article DOI: 10.1021/jm400377z
BindingDB Entry DOI: 10.7270/Q2M046WV
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50442327
PNG
(CHEMBL2442755)
Show SMILES CCn1ccc2c1ccc1nc(cc(CO)c21)-c1ccccc1
Show InChI InChI=1S/C20H18N2O/c1-2-22-11-10-16-19(22)9-8-17-20(16)15(13-23)12-18(21-17)14-6-4-3-5-7-14/h3-12,23H,2,13H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin) using 7-methoxy-4-trifluoromethylcoumarin as substrate after 30 mins by fluorimetric analysis

J Med Chem 56: 7536-51 (2013)


Article DOI: 10.1021/jm400377z
BindingDB Entry DOI: 10.7270/Q2M046WV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%