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PubMed code 22335894

Compile data set for download or QSAR
Found 10 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))		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 1n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human aromatase coexpressed with P450 reductase by fluorimetry

Bioorg Med Chem Lett 22: 1860-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.076
BindingDB Entry DOI: 10.7270/Q2571CGS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50365732
PNG
(CHEMBL1956186)
Show SMILES Cc1cc(ccc1Cl)-n1ccc2ccncc12
Show InChI InChI=1S/C14H11ClN2/c1-10-8-12(2-3-13(10)15)17-7-5-11-4-6-16-9-14(11)17/h2-9H,1H3
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n/an/a 59n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human aromatase coexpressed with P450 reductase by fluorimetry

Bioorg Med Chem Lett 22: 1860-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.076
BindingDB Entry DOI: 10.7270/Q2571CGS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50365730
PNG
(CHEMBL1955869)
Show SMILES N#Cc1ccc(cc1)-n1ccc2ccncc12
Show InChI InChI=1S/C14H9N3/c15-9-11-1-3-13(4-2-11)17-8-6-12-5-7-16-10-14(12)17/h1-8,10H
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n/an/a 93n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human aromatase coexpressed with P450 reductase by fluorimetry

Bioorg Med Chem Lett 22: 1860-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.076
BindingDB Entry DOI: 10.7270/Q2571CGS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50365733
PNG
(CHEMBL1956188)
Show SMILES N#Cc1ccc(cc1Oc1ccccc1)-n1ccc2ccncc12
Show InChI InChI=1S/C20H13N3O/c21-13-16-6-7-17(12-20(16)24-18-4-2-1-3-5-18)23-11-9-15-8-10-22-14-19(15)23/h1-12,14H
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n/an/a 114n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human aromatase coexpressed with P450 reductase by fluorimetry

Bioorg Med Chem Lett 22: 1860-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.076
BindingDB Entry DOI: 10.7270/Q2571CGS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50365729
PNG
(CHEMBL1956180)
Show SMILES Clc1cccc(Oc2cc(ccc2Oc2cccnc2)C#N)c1
Show InChI InChI=1S/C18H11ClN2O2/c19-14-3-1-4-15(10-14)22-18-9-13(11-20)6-7-17(18)23-16-5-2-8-21-12-16/h1-10,12H
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n/an/a 229n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human aromatase coexpressed with P450 reductase by fluorimetry

Bioorg Med Chem Lett 22: 1860-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.076
BindingDB Entry DOI: 10.7270/Q2571CGS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50365734
PNG
(CHEMBL1956171)
Show SMILES N#Cc1ccc(Oc2cccnc2)cc1
Show InChI InChI=1S/C12H8N2O/c13-8-10-3-5-11(6-4-10)15-12-2-1-7-14-9-12/h1-7,9H
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n/an/a 289n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human aromatase coexpressed with P450 reductase by fluorimetry

Bioorg Med Chem Lett 22: 1860-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.076
BindingDB Entry DOI: 10.7270/Q2571CGS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50365728
PNG
(CHEMBL1956179)
Show SMILES N#Cc1ccc(Oc2cccnc2)cc1Oc1cccnc1
Show InChI InChI=1S/C17H11N3O2/c18-10-13-5-6-14(21-15-3-1-7-19-11-15)9-17(13)22-16-4-2-8-20-12-16/h1-9,11-12H
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n/an/a 304n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human aromatase coexpressed with P450 reductase by fluorimetry

Bioorg Med Chem Lett 22: 1860-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.076
BindingDB Entry DOI: 10.7270/Q2571CGS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50365731
PNG
(CHEMBL1956183)
Show SMILES Clc1ccc(cc1)-n1ccc2ccncc12
Show InChI InChI=1S/C13H9ClN2/c14-11-1-3-12(4-2-11)16-8-6-10-5-7-15-9-13(10)16/h1-9H
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n/an/a 523n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human aromatase coexpressed with P450 reductase by fluorimetry

Bioorg Med Chem Lett 22: 1860-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.076
BindingDB Entry DOI: 10.7270/Q2571CGS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50365727
PNG
(CHEMBL1956175)
Show SMILES N#Cc1ccc(Oc2cccnc2)cc1NCc1ccccc1
Show InChI InChI=1S/C19H15N3O/c20-12-16-8-9-17(23-18-7-4-10-21-14-18)11-19(16)22-13-15-5-2-1-3-6-15/h1-11,14,22H,13H2
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n/an/a 986n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human aromatase coexpressed with P450 reductase by fluorimetry

Bioorg Med Chem Lett 22: 1860-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.076
BindingDB Entry DOI: 10.7270/Q2571CGS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50365726
PNG
(CHEMBL1728910)
Show SMILES N#Cc1ccc(Oc2cccnc2)cc1C#N
Show InChI InChI=1S/C13H7N3O/c14-7-10-3-4-12(6-11(10)8-15)17-13-2-1-5-16-9-13/h1-6,9H
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n/an/a 5.03E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human aromatase coexpressed with P450 reductase by fluorimetry

Bioorg Med Chem Lett 22: 1860-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.076
BindingDB Entry DOI: 10.7270/Q2571CGS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%