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PubMed code 29525337

Compile data set for download or QSAR
Found 27 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))		BDBM50460601
PNG
(CHEMBL4227385)
Show SMILES Oc1ccccc1-c1csc(n1)-c1ncccn1
Show InChI InChI=1S/C13H9N3OS/c17-11-5-2-1-4-9(11)10-8-18-13(16-10)12-14-6-3-7-15-12/h1-8,17H
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n/an/a 0.420n/an/an/an/an/an/a



Istanbul Medipol University

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin)

Bioorg Med Chem 26: 1986-1995 (2018)


Article DOI: 10.1016/j.bmc.2018.02.048
BindingDB Entry DOI: 10.7270/Q20867Z3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM10015
PNG
(2-[3-(1-cyano-1-methylethyl)-5-(1H-1,2,4-triazol-1...)
Show SMILES CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)C(C)(C)C#N
Show InChI InChI=1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3
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n/an/a 1.5n/an/an/an/an/an/a



Istanbul Medipol University

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin)

Bioorg Med Chem 26: 1986-1995 (2018)


Article DOI: 10.1016/j.bmc.2018.02.048
BindingDB Entry DOI: 10.7270/Q20867Z3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50460600
PNG
(CHEMBL118266)
Show SMILES c1sc(nc1-c1cccnc1)-c1cccnc1
Show InChI InChI=1S/C13H9N3S/c1-3-10(7-14-5-1)12-9-17-13(16-12)11-4-2-6-15-8-11/h1-9H
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n/an/a 4n/an/an/an/an/an/a



Istanbul Medipol University

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin)

Bioorg Med Chem 26: 1986-1995 (2018)


Article DOI: 10.1016/j.bmc.2018.02.048
BindingDB Entry DOI: 10.7270/Q20867Z3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50460621
PNG
(CHEMBL4228753)
Show SMILES COc1cccc(c1)-c1csc(n1)-c1ncccn1
Show InChI InChI=1S/C14H11N3OS/c1-18-11-5-2-4-10(8-11)12-9-19-14(17-12)13-15-6-3-7-16-13/h2-9H,1H3
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n/an/a 177n/an/an/an/an/an/a



Istanbul Medipol University

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin)

Bioorg Med Chem 26: 1986-1995 (2018)


Article DOI: 10.1016/j.bmc.2018.02.048
BindingDB Entry DOI: 10.7270/Q20867Z3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50361943
PNG
(CHEMBL1939366)
Show SMILES c1cncc(c1)-c1nsc(n1)-c1cccnc1
Show InChI InChI=1S/C12H8N4S/c1-3-9(7-13-5-1)11-15-12(17-16-11)10-4-2-6-14-8-10/h1-8H
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n/an/a 240n/an/an/an/an/an/a



Istanbul Medipol University

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin)

Bioorg Med Chem 26: 1986-1995 (2018)


Article DOI: 10.1016/j.bmc.2018.02.048
BindingDB Entry DOI: 10.7270/Q20867Z3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50460610
PNG
(CHEMBL4227458)
Show SMILES c1sc(nc1-c1ccncc1)-c1ncccn1
Show InChI InChI=1S/C12H8N4S/c1-4-14-11(15-5-1)12-16-10(8-17-12)9-2-6-13-7-3-9/h1-8H
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n/an/a 935n/an/an/an/an/an/a



Istanbul Medipol University

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin)

Bioorg Med Chem 26: 1986-1995 (2018)


Article DOI: 10.1016/j.bmc.2018.02.048
BindingDB Entry DOI: 10.7270/Q20867Z3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM8610
PNG
(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)
Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1
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n/an/a 951n/an/an/an/an/an/a



Istanbul Medipol University

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin)

Bioorg Med Chem 26: 1986-1995 (2018)


Article DOI: 10.1016/j.bmc.2018.02.048
BindingDB Entry DOI: 10.7270/Q20867Z3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50460613
PNG
(CHEMBL4228244)
Show SMILES c1sc(nc1-c1nc2ccccc2s1)-c1ncccn1
Show InChI InChI=1S/C14H8N4S2/c1-2-5-11-9(4-1)17-13(20-11)10-8-19-14(18-10)12-15-6-3-7-16-12/h1-8H
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n/an/a 1.00E+3n/an/an/an/an/an/a



Istanbul Medipol University

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin)

Bioorg Med Chem 26: 1986-1995 (2018)


Article DOI: 10.1016/j.bmc.2018.02.048
BindingDB Entry DOI: 10.7270/Q20867Z3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50460602
PNG
(CHEMBL4225521)
Show SMILES c1sc(nc1-c1ccccn1)-c1ncccn1
Show InChI InChI=1S/C12H8N4S/c1-2-5-13-9(4-1)10-8-17-12(16-10)11-14-6-3-7-15-11/h1-8H
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n/an/a 1.09E+3n/an/an/an/an/an/a



Istanbul Medipol University

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin)

Bioorg Med Chem 26: 1986-1995 (2018)


Article DOI: 10.1016/j.bmc.2018.02.048
BindingDB Entry DOI: 10.7270/Q20867Z3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50460607
PNG
(CHEMBL4224728)
Show SMILES COc1ccccc1-c1csc(n1)-c1ncccn1
Show InChI InChI=1S/C14H11N3OS/c1-18-12-6-3-2-5-10(12)11-9-19-14(17-11)13-15-7-4-8-16-13/h2-9H,1H3
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n/an/a 1.18E+3n/an/an/an/an/an/a



Istanbul Medipol University

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin)

Bioorg Med Chem 26: 1986-1995 (2018)


Article DOI: 10.1016/j.bmc.2018.02.048
BindingDB Entry DOI: 10.7270/Q20867Z3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50460603
PNG
(CHEMBL4229012)
Show SMILES Clc1ccccc1-c1csc(n1)-c1ncccn1
Show InChI InChI=1S/C13H8ClN3S/c14-10-5-2-1-4-9(10)11-8-18-13(17-11)12-15-6-3-7-16-12/h1-8H
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n/an/a 1.70E+3n/an/an/an/an/an/a



Istanbul Medipol University

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin)

Bioorg Med Chem 26: 1986-1995 (2018)


Article DOI: 10.1016/j.bmc.2018.02.048
BindingDB Entry DOI: 10.7270/Q20867Z3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50460612
PNG
(CHEMBL4225998)
Show SMILES c1sc(nc1-c1cc2ccccc2s1)-c1ncccn1
Show InChI InChI=1S/C15H9N3S2/c1-2-5-12-10(4-1)8-13(20-12)11-9-19-15(18-11)14-16-6-3-7-17-14/h1-9H
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n/an/a 1.81E+3n/an/an/an/an/an/a



Istanbul Medipol University

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin)

Bioorg Med Chem 26: 1986-1995 (2018)


Article DOI: 10.1016/j.bmc.2018.02.048
BindingDB Entry DOI: 10.7270/Q20867Z3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50460619
PNG
(CHEMBL4228031)
Show SMILES Cn1c(nc2ccccc12)-c1csc(n1)-c1ncccn1
Show InChI InChI=1S/C15H11N5S/c1-20-12-6-3-2-5-10(12)18-14(20)11-9-21-15(19-11)13-16-7-4-8-17-13/h2-9H,1H3
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n/an/a 1.98E+3n/an/an/an/an/an/a



Istanbul Medipol University

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin)

Bioorg Med Chem 26: 1986-1995 (2018)


Article DOI: 10.1016/j.bmc.2018.02.048
BindingDB Entry DOI: 10.7270/Q20867Z3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50460618
PNG
(CHEMBL4224875)
Show SMILES c1coc(c1)-c1csc(n1)-c1ncccn1
Show InChI InChI=1S/C11H7N3OS/c1-3-9(15-6-1)8-7-16-11(14-8)10-12-4-2-5-13-10/h1-7H
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n/an/a 2.60E+3n/an/an/an/an/an/a



Istanbul Medipol University

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin)

Bioorg Med Chem 26: 1986-1995 (2018)


Article DOI: 10.1016/j.bmc.2018.02.048
BindingDB Entry DOI: 10.7270/Q20867Z3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50460614
PNG
(CHEMBL4229074)
Show SMILES COc1ccc(O)c(c1)-c1csc(n1)-c1ncccn1
Show InChI InChI=1S/C14H11N3O2S/c1-19-9-3-4-12(18)10(7-9)11-8-20-14(17-11)13-15-5-2-6-16-13/h2-8,18H,1H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Istanbul Medipol University

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin)

Bioorg Med Chem 26: 1986-1995 (2018)


Article DOI: 10.1016/j.bmc.2018.02.048
BindingDB Entry DOI: 10.7270/Q20867Z3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50460604
PNG
(CHEMBL4227979)
Show SMILES Oc1cccc(c1)-c1csc(n1)-c1ncccn1
Show InChI InChI=1S/C13H9N3OS/c17-10-4-1-3-9(7-10)11-8-18-13(16-11)12-14-5-2-6-15-12/h1-8,17H
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n/an/a 3.05E+3n/an/an/an/an/an/a



Istanbul Medipol University

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin)

Bioorg Med Chem 26: 1986-1995 (2018)


Article DOI: 10.1016/j.bmc.2018.02.048
BindingDB Entry DOI: 10.7270/Q20867Z3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50460608
PNG
(CHEMBL4224993)
Show SMILES COc1ccc(cc1)-c1csc(n1)-c1ncccn1
Show InChI InChI=1S/C14H11N3OS/c1-18-11-5-3-10(4-6-11)12-9-19-14(17-12)13-15-7-2-8-16-13/h2-9H,1H3
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n/an/a 3.19E+3n/an/an/an/an/an/a



Istanbul Medipol University

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin)

Bioorg Med Chem 26: 1986-1995 (2018)


Article DOI: 10.1016/j.bmc.2018.02.048
BindingDB Entry DOI: 10.7270/Q20867Z3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50460609
PNG
(CHEMBL4225257)
Show SMILES Clc1cccc(c1)-c1csc(n1)-c1ncccn1
Show InChI InChI=1S/C13H8ClN3S/c14-10-4-1-3-9(7-10)11-8-18-13(17-11)12-15-5-2-6-16-12/h1-8H
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n/an/a 3.25E+3n/an/an/an/an/an/a



Istanbul Medipol University

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin)

Bioorg Med Chem 26: 1986-1995 (2018)


Article DOI: 10.1016/j.bmc.2018.02.048
BindingDB Entry DOI: 10.7270/Q20867Z3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50460617
PNG
(CHEMBL4228303)
Show SMILES c1sc(nc1-c1cccnc1)-c1ncccn1
Show InChI InChI=1S/C12H8N4S/c1-3-9(7-13-4-1)10-8-17-12(16-10)11-14-5-2-6-15-11/h1-8H
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n/an/a 3.32E+3n/an/an/an/an/an/a



Istanbul Medipol University

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin)

Bioorg Med Chem 26: 1986-1995 (2018)


Article DOI: 10.1016/j.bmc.2018.02.048
BindingDB Entry DOI: 10.7270/Q20867Z3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50460615
PNG
(CHEMBL4228819)
Show SMILES c1sc(nc1-c1cc2ccccc2o1)-c1ncccn1
Show InChI InChI=1S/C15H9N3OS/c1-2-5-12-10(4-1)8-13(19-12)11-9-20-15(18-11)14-16-6-3-7-17-14/h1-9H
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n/an/a 3.35E+3n/an/an/an/an/an/a



Istanbul Medipol University

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin)

Bioorg Med Chem 26: 1986-1995 (2018)


Article DOI: 10.1016/j.bmc.2018.02.048
BindingDB Entry DOI: 10.7270/Q20867Z3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50460616
PNG
(CHEMBL4229272)
Show SMILES Clc1ccc(cc1)-c1csc(n1)-c1ncccn1
Show InChI InChI=1S/C13H8ClN3S/c14-10-4-2-9(3-5-10)11-8-18-13(17-11)12-15-6-1-7-16-12/h1-8H
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n/an/a 3.41E+3n/an/an/an/an/an/a



Istanbul Medipol University

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin)

Bioorg Med Chem 26: 1986-1995 (2018)


Article DOI: 10.1016/j.bmc.2018.02.048
BindingDB Entry DOI: 10.7270/Q20867Z3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50460611
PNG
(CHEMBL4227725)
Show SMILES c1csc(c1)-c1csc(n1)-c1ncccn1
Show InChI InChI=1S/C11H7N3S2/c1-3-9(15-6-1)8-7-16-11(14-8)10-12-4-2-5-13-10/h1-7H
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n/an/a 3.48E+3n/an/an/an/an/an/a



Istanbul Medipol University

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin)

Bioorg Med Chem 26: 1986-1995 (2018)


Article DOI: 10.1016/j.bmc.2018.02.048
BindingDB Entry DOI: 10.7270/Q20867Z3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50460606
PNG
(CHEMBL4228495)
Show SMILES Oc1ccc(Cl)cc1-c1csc(n1)-c1ncccn1
Show InChI InChI=1S/C13H8ClN3OS/c14-8-2-3-11(18)9(6-8)10-7-19-13(17-10)12-15-4-1-5-16-12/h1-7,18H
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n/an/a 3.57E+3n/an/an/an/an/an/a



Istanbul Medipol University

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin)

Bioorg Med Chem 26: 1986-1995 (2018)


Article DOI: 10.1016/j.bmc.2018.02.048
BindingDB Entry DOI: 10.7270/Q20867Z3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50460605
PNG
(CHEMBL4228236)
Show SMILES Cc1ccc(O)c(c1)-c1csc(n1)-c1ncccn1
Show InChI InChI=1S/C14H11N3OS/c1-9-3-4-12(18)10(7-9)11-8-19-14(17-11)13-15-5-2-6-16-13/h2-8,18H,1H3
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n/an/a 3.59E+3n/an/an/an/an/an/a



Istanbul Medipol University

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin)

Bioorg Med Chem 26: 1986-1995 (2018)


Article DOI: 10.1016/j.bmc.2018.02.048
BindingDB Entry DOI: 10.7270/Q20867Z3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50460620
PNG
(CHEMBL4227126)
Show SMILES Oc1ccc(cc1)-c1csc(n1)-c1ncccn1
Show InChI InChI=1S/C13H9N3OS/c17-10-4-2-9(3-5-10)11-8-18-13(16-11)12-14-6-1-7-15-12/h1-8,17H
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n/an/a 5.72E+3n/an/an/an/an/an/a



Istanbul Medipol University

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin)

Bioorg Med Chem 26: 1986-1995 (2018)


Article DOI: 10.1016/j.bmc.2018.02.048
BindingDB Entry DOI: 10.7270/Q20867Z3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM23926
PNG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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n/an/a 2.50E+4n/an/an/an/an/an/a



Istanbul Medipol University

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin)

Bioorg Med Chem 26: 1986-1995 (2018)


Article DOI: 10.1016/j.bmc.2018.02.048
BindingDB Entry DOI: 10.7270/Q20867Z3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50361942
PNG
(CHEMBL264401)
Show SMILES c1ccc(cc1)-c1nsc(n1)-c1ccccc1
Show InChI InChI=1S/C14H10N2S/c1-3-7-11(8-4-1)13-15-14(17-16-13)12-9-5-2-6-10-12/h1-10H
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n/an/a>5.00E+4n/an/an/an/an/an/a



Istanbul Medipol University

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin)

Bioorg Med Chem 26: 1986-1995 (2018)


Article DOI: 10.1016/j.bmc.2018.02.048
BindingDB Entry DOI: 10.7270/Q20867Z3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%