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Compile Data Set for Download or QSAR

Found 53 hits Enz. Inhib. hit(s) with all data for entry = 50039155   
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))
BDBM7461
PNG
(5,7-dihydroxy-2-phenyl-4H-chromen-4-one | 5,7-dihy...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H
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n/an/a 1n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19


Bioorg Med Chem Lett 20: 3050-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.113
BindingDB Entry DOI: 10.7270/Q2CJ8FFS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50318410
PNG
(3,4-bis(3,4-dimethoxyphenyl)furan-2(5H)-one | CHEM...)
Show SMILES COc1ccc(cc1OC)C1=C(C(=O)OC1)c1ccc(OC)c(OC)c1 |t:11|
Show InChI InChI=1S/C20H20O6/c1-22-15-7-5-12(9-17(15)24-3)14-11-26-20(21)19(14)13-6-8-16(23-2)18(10-13)25-4/h5-10H,11H2,1-4H3
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n/an/a 1n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19


Bioorg Med Chem Lett 20: 3050-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.113
BindingDB Entry DOI: 10.7270/Q2CJ8FFS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50378780
PNG
((S)-VOROZOLE)
Show SMILES Cn1nnc2ccc(cc12)[C@H](c1ccc(Cl)cc1)n1cncn1 |r|
Show InChI InChI=1S/C16H13ClN6/c1-22-15-8-12(4-7-14(15)20-21-22)16(23-10-18-9-19-23)11-2-5-13(17)6-3-11/h2-10,16H,1H3/t16-/m0/s1
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n/an/a 1.38n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19


Bioorg Med Chem Lett 20: 3050-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.113
BindingDB Entry DOI: 10.7270/Q2CJ8FFS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM31774
PNG
(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Show SMILES Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1
Show InChI InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
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n/an/a 1.80n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19


Bioorg Med Chem Lett 20: 3050-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.113
BindingDB Entry DOI: 10.7270/Q2CJ8FFS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50318411
PNG
(11beta,13-Dihydro-10-epi-8-deoxycumam-brin B | CHE...)
Show SMILES C[C@H]1[C@@H]2CC[C@](C)(O)[C@@H]3CC=C(C)[C@@H]3[C@H]2OC1=O |r,t:10|
Show InChI InChI=1S/C15H22O3/c1-8-4-5-11-12(8)13-10(6-7-15(11,3)17)9(2)14(16)18-13/h4,9-13,17H,5-7H2,1-3H3/t9-,10-,11+,12-,13-,15-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19


Bioorg Med Chem Lett 20: 3050-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.113
BindingDB Entry DOI: 10.7270/Q2CJ8FFS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50077323
PNG
(7,4'-Dihydroxyflavone | 7-hydroxy-2-(4-hydroxyphen...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2ccc(O)cc2o1
Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-8,16-17H
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n/an/a 2n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19


Bioorg Med Chem Lett 20: 3050-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.113
BindingDB Entry DOI: 10.7270/Q2CJ8FFS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50253941
PNG
(3-((1H-imidazol-1-yl)(4-nitrophenyl)methyl)-4H-chr...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(c1coc2ccccc2c1=O)n1ccnc1
Show InChI InChI=1S/C19H13N3O4/c23-19-15-3-1-2-4-17(15)26-11-16(19)18(21-10-9-20-12-21)13-5-7-14(8-6-13)22(24)25/h1-12,18H
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n/an/a 2.30n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19


Bioorg Med Chem Lett 20: 3050-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.113
BindingDB Entry DOI: 10.7270/Q2CJ8FFS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM23419
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...)
Show SMILES Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 |r|
Show InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19


Bioorg Med Chem Lett 20: 3050-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.113
BindingDB Entry DOI: 10.7270/Q2CJ8FFS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50047260
PNG
(4,4'-((1H-imidazol-1-yl)methylene)dibenzonitrile |...)
Show SMILES N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1ccnc1
Show InChI InChI=1S/C18H12N4/c19-11-14-1-5-16(6-2-14)18(22-10-9-21-13-22)17-7-3-15(12-20)4-8-17/h1-10,13,18H
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n/an/a 3n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19


Bioorg Med Chem Lett 20: 3050-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.113
BindingDB Entry DOI: 10.7270/Q2CJ8FFS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50318389
PNG
(3-amino-2-((1,2-dihydropyridin-4-yl)methyl)-5-meth...)
Show SMILES COc1ccc2C(=O)C(CC3=CC=NCC3)=C(N)c2c1 |c:12,t:10,16|
Show InChI InChI=1S/C16H16N2O2/c1-20-11-2-3-12-13(9-11)15(17)14(16(12)19)8-10-4-6-18-7-5-10/h2-4,6,9H,5,7-8,17H2,1H3
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n/an/a 3.5n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19


Bioorg Med Chem Lett 20: 3050-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.113
BindingDB Entry DOI: 10.7270/Q2CJ8FFS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50176808
PNG
(5-[(3-Chloro-phenyl)-imidazol-1-yl-methyl]-1H-benz...)
Show SMILES Clc1cccc(c1)C(c1ccc2nc[nH]c2c1)n1ccnc1
Show InChI InChI=1S/C17H13ClN4/c18-14-3-1-2-12(8-14)17(22-7-6-19-11-22)13-4-5-15-16(9-13)21-10-20-15/h1-11,17H,(H,20,21)
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n/an/a 5n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19


Bioorg Med Chem Lett 20: 3050-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.113
BindingDB Entry DOI: 10.7270/Q2CJ8FFS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
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 5n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19


Bioorg Med Chem Lett 20: 3050-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.113
BindingDB Entry DOI: 10.7270/Q2CJ8FFS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
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 5.20n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19


Bioorg Med Chem Lett 20: 3050-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.113
BindingDB Entry DOI: 10.7270/Q2CJ8FFS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50318398
PNG
((3R,4R)-4-benzyl-3-(3-hydroxybenzyl)dihydrofuran-2...)
Show SMILES Oc1cccc(C[C@@H]2[C@@H](Cc3ccccc3)COC2=O)c1 |r|
Show InChI InChI=1S/C18H18O3/c19-16-8-4-7-14(10-16)11-17-15(12-21-18(17)20)9-13-5-2-1-3-6-13/h1-8,10,15,17,19H,9,11-12H2/t15-,17+/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19


Bioorg Med Chem Lett 20: 3050-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.113
BindingDB Entry DOI: 10.7270/Q2CJ8FFS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50049177
PNG
((3R,4R)-3,4-Bis-(3,4-dihydroxy-benzyl)-dihydro-fur...)
Show SMILES Oc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C18H18O6/c19-14-3-1-10(7-16(14)21)5-12-9-24-18(23)13(12)6-11-2-4-15(20)17(22)8-11/h1-4,7-8,12-13,19-22H,5-6,9H2/t12-,13+/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19


Bioorg Med Chem Lett 20: 3050-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.113
BindingDB Entry DOI: 10.7270/Q2CJ8FFS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50318390
PNG
(3-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)furan-2...)
Show SMILES COc1ccc(cc1)C1=C(C(=O)OC1)c1ccc(OC)c(OC)c1 |t:9|
Show InChI InChI=1S/C19H18O5/c1-21-14-7-4-12(5-8-14)15-11-24-19(20)18(15)13-6-9-16(22-2)17(10-13)23-3/h4-10H,11H2,1-3H3
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n/an/a 6.90n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19


Bioorg Med Chem Lett 20: 3050-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.113
BindingDB Entry DOI: 10.7270/Q2CJ8FFS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50318395
PNG
(10-Epi-8-deoxy-cumambrin B | CHEMBL1099308)
Show SMILES CC1=CC[C@H]2CCC[C@@H]3[C@H](OC(=O)C3=C)[C@@H]12 |r,t:1|
Show InChI InChI=1S/C14H18O2/c1-8-6-7-10-4-3-5-11-9(2)14(15)16-13(11)12(8)10/h6,10-13H,2-5,7H2,1H3/t10-,11+,12+,13+/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19


Bioorg Med Chem Lett 20: 3050-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.113
BindingDB Entry DOI: 10.7270/Q2CJ8FFS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50028962
PNG
(CHEMBL275638 | flavone)
Show SMILES O=c1cc(oc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H
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n/an/a 8n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19


Bioorg Med Chem Lett 20: 3050-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.113
BindingDB Entry DOI: 10.7270/Q2CJ8FFS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50077318
PNG
(6,7-Dihydroxy-2-phenyl-chromen-4-one | 6,7-dihydro...)
Show SMILES Oc1cc2oc(cc(=O)c2cc1O)-c1ccccc1
Show InChI InChI=1S/C15H10O4/c16-11-7-14(9-4-2-1-3-5-9)19-15-8-13(18)12(17)6-10(11)15/h1-8,17-18H
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n/an/a 8.70n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19


Bioorg Med Chem Lett 20: 3050-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.113
BindingDB Entry DOI: 10.7270/Q2CJ8FFS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50318391
PNG
(1-(benzofuran-2-yl(4-chlorophenyl)methyl)-1H-imida...)
Show SMILES Clc1ccc(cc1)C(c1cc2ccccc2o1)n1ccnc1
Show InChI InChI=1S/C18H13ClN2O/c19-15-7-5-13(6-8-15)18(21-10-9-20-12-21)17-11-14-3-1-2-4-16(14)22-17/h1-12,18H
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n/an/a 8.80n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19


Bioorg Med Chem Lett 20: 3050-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.113
BindingDB Entry DOI: 10.7270/Q2CJ8FFS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM9461
PNG
(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Show SMILES COc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
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n/an/a 10.2n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19


Bioorg Med Chem Lett 20: 3050-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.113
BindingDB Entry DOI: 10.7270/Q2CJ8FFS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM22372
PNG
(4-[(2R,3S)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbut...)
Show SMILES C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3/t11-,12+
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n/an/a 11n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19


Bioorg Med Chem Lett 20: 3050-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.113
BindingDB Entry DOI: 10.7270/Q2CJ8FFS
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 11.5n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19


Bioorg Med Chem Lett 20: 3050-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.113
BindingDB Entry DOI: 10.7270/Q2CJ8FFS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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n/an/a 12n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19


Bioorg Med Chem Lett 20: 3050-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.113
BindingDB Entry DOI: 10.7270/Q2CJ8FFS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50318399
PNG
((R,S)-6-[1-(Imidazol-1-yl)-1phenylmethyl]-3-methyl...)
Show SMILES Cn1c2ccc(cc2sc1=O)C(c1ccccc1)n1ccnc1
Show InChI InChI=1S/C18H15N3OS/c1-20-15-8-7-14(11-16(15)23-18(20)22)17(21-10-9-19-12-21)13-5-3-2-4-6-13/h2-12,17H,1H3
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n/an/a 13n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19


Bioorg Med Chem Lett 20: 3050-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.113
BindingDB Entry DOI: 10.7270/Q2CJ8FFS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50318396
PNG
(3-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)...)
Show SMILES COc1ccc(cc1OC)C1=C(COC1=O)c1cc(OC)c(OC)c(OC)c1 |t:11|
Show InChI InChI=1S/C21H22O7/c1-23-15-7-6-12(8-16(15)24-2)19-14(11-28-21(19)22)13-9-17(25-3)20(27-5)18(10-13)26-4/h6-10H,11H2,1-5H3
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n/an/a 13.7n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19


Bioorg Med Chem Lett 20: 3050-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.113
BindingDB Entry DOI: 10.7270/Q2CJ8FFS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50318392
PNG
((3aS,9aS,9bS)-6,9-Dimethyl-3-methylene-3,3a,4,5,9a...)
Show SMILES CC1=CC(=O)C2=C(C)CC[C@@H]3[C@H](OC(=O)C3=C)[C@@H]12 |r,c:5,t:1|
Show InChI InChI=1S/C15H16O3/c1-7-4-5-10-9(3)15(17)18-14(10)13-8(2)6-11(16)12(7)13/h6,10,13-14H,3-5H2,1-2H3/t10-,13-,14-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19


Bioorg Med Chem Lett 20: 3050-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.113
BindingDB Entry DOI: 10.7270/Q2CJ8FFS
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 15n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19


Bioorg Med Chem Lett 20: 3050-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.113
BindingDB Entry DOI: 10.7270/Q2CJ8FFS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50318397
PNG
(3-formyl-4-(2-hydroxy-6-methylbenzoyl)-5-methoxy-N...)
Show SMILES COc1cc(cc(C=O)c1C(=O)c1c(C)cccc1O)C(=O)N(C)C
Show InChI InChI=1S/C19H19NO5/c1-11-6-5-7-14(22)16(11)18(23)17-13(10-21)8-12(9-15(17)25-4)19(24)20(2)3/h5-10,22H,1-4H3
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n/an/a 17.2n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19


Bioorg Med Chem Lett 20: 3050-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.113
BindingDB Entry DOI: 10.7270/Q2CJ8FFS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50318393
PNG
(3-formyl-5-hydroxy-4-(2-hydroxy-6-methylbenzoyl)be...)
Show SMILES Cc1cccc(O)c1C(=O)c1c(O)cc(cc1C=O)C(O)=O
Show InChI InChI=1S/C16H12O6/c1-8-3-2-4-11(18)13(8)15(20)14-10(7-17)5-9(16(21)22)6-12(14)19/h2-7,18-19H,1H3,(H,21,22)
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n/an/a 17.2n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19


Bioorg Med Chem Lett 20: 3050-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.113
BindingDB Entry DOI: 10.7270/Q2CJ8FFS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50318400
PNG
(9-Hydroxy-7,8-benzoflavone | CHEMBL1097042)
Show SMILES Oc1cccc2ccc3c(oc(cc3=O)-c3ccccc3)c12
Show InChI InChI=1S/C19H12O3/c20-15-8-4-7-13-9-10-14-16(21)11-17(22-19(14)18(13)15)12-5-2-1-3-6-12/h1-11,20H
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n/an/a 20n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19


Bioorg Med Chem Lett 20: 3050-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.113
BindingDB Entry DOI: 10.7270/Q2CJ8FFS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM26664
PNG
(7-Hydroxy-flavone, 5a | 7-Hydroxyflavone, 11 | 7-h...)
Show SMILES Oc1ccc2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C15H10O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-9,16H
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n/an/a 30.5n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19


Bioorg Med Chem Lett 20: 3050-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.113
BindingDB Entry DOI: 10.7270/Q2CJ8FFS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50318401
PNG
(1-ethyl-3-((4-fluorophenyl)(1H-imidazol-1-yl)methy...)
Show SMILES CCn1c(C)c(C(c2ccc(F)cc2)n2ccnc2)c2ccccc12
Show InChI InChI=1S/C21H20FN3/c1-3-25-15(2)20(18-6-4-5-7-19(18)25)21(24-13-12-23-14-24)16-8-10-17(22)11-9-16/h4-14,21H,3H2,1-2H3
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n/an/a 32n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19


Bioorg Med Chem Lett 20: 3050-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.113
BindingDB Entry DOI: 10.7270/Q2CJ8FFS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50318402
PNG
((Z)-2-(pyridin-3-ylmethylene)-3-(4-(trifluorometho...)
Show SMILES FC(F)(F)Oc1ccc(cc1)C1\C(=C\c2cccnc2)C(=O)c2cccn12
Show InChI InChI=1S/C20H13F3N2O2/c21-20(22,23)27-15-7-5-14(6-8-15)18-16(11-13-3-1-9-24-12-13)19(26)17-4-2-10-25(17)18/h1-12,18H/b16-11-
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n/an/a 40n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19


Bioorg Med Chem Lett 20: 3050-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.113
BindingDB Entry DOI: 10.7270/Q2CJ8FFS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50318394
PNG
(6,8a-Dimethyl-3-methylene-3a,4,5,7,7a,8a,8b,8c-oct...)
Show SMILES CC1=C2C[C@H]3O[C@@]3(C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1 |r,c:1|
Show InChI InChI=1S/C15H18O3/c1-7-4-5-9-8(2)14(16)17-13(9)12-10(7)6-11-15(12,3)18-11/h9,11-13H,2,4-6H2,1,3H3/t9-,11+,12-,13-,15+/m0/s1
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n/an/a 55n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19


Bioorg Med Chem Lett 20: 3050-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.113
BindingDB Entry DOI: 10.7270/Q2CJ8FFS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM31768
PNG
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |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-/m1/s1
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n/an/a 60n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19


Bioorg Med Chem Lett 20: 3050-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.113
BindingDB Entry DOI: 10.7270/Q2CJ8FFS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
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 61n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19


Bioorg Med Chem Lett 20: 3050-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.113
BindingDB Entry DOI: 10.7270/Q2CJ8FFS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50014323
PNG
(2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | 2-Phenyl-benzo...)
Show SMILES O=c1cc(oc2c3ccccc3ccc12)-c1ccccc1
Show InChI InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H
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n/an/a 70n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19


Bioorg Med Chem Lett 20: 3050-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.113
BindingDB Entry DOI: 10.7270/Q2CJ8FFS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50318403
PNG
(3-((1H-imidazol-1-yl)methyl)-1-(4-fluorophenyl)-1H...)
Show SMILES Fc1ccc(cc1)-n1cc(Cn2ccnc2)c2ccccc12
Show InChI InChI=1S/C18H14FN3/c19-15-5-7-16(8-6-15)22-12-14(11-21-10-9-20-13-21)17-3-1-2-4-18(17)22/h1-10,12-13H,11H2
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n/an/a 71.8n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19


Bioorg Med Chem Lett 20: 3050-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.113
BindingDB Entry DOI: 10.7270/Q2CJ8FFS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM9465
PNG
(1-(9-Phenyl-9H-fluoren-9-yl)-1H-imidazole | CHEMBL...)
Show SMILES c1cn(cn1)C1(c2ccccc2-c2ccccc12)c1ccccc1
Show InChI InChI=1S/C22H16N2/c1-2-8-17(9-3-1)22(24-15-14-23-16-24)20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-16H
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n/an/a 74n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19


Bioorg Med Chem Lett 20: 3050-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.113
BindingDB Entry DOI: 10.7270/Q2CJ8FFS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM9911
PNG
(3-Phenyl-7-(4-biphenylmethoxy)-2-[(4-pyridylmethyl...)
Show SMILES O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3ccc(cc3)-c3ccccc3)ccc12
Show InChI InChI=1S/C34H25NO3S/c36-33-30-16-15-29(37-22-24-11-13-27(14-12-24)26-7-3-1-4-8-26)21-31(30)38-34(32(33)28-9-5-2-6-10-28)39-23-25-17-19-35-20-18-25/h1-21H,22-23H2
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n/an/a 85n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19


Bioorg Med Chem Lett 20: 3050-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.113
BindingDB Entry DOI: 10.7270/Q2CJ8FFS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50318404
PNG
(3-((1H-imidazol-2-yl)(phenyl)methyl)-5-bromo-1-eth...)
Show SMILES CCn1cc(C(c2ccccc2)n2ccnc2)c2cc(Br)ccc12
Show InChI InChI=1S/C20H18BrN3/c1-2-23-13-18(17-12-16(21)8-9-19(17)23)20(24-11-10-22-14-24)15-6-4-3-5-7-15/h3-14,20H,2H2,1H3
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n/an/a 102n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19


Bioorg Med Chem Lett 20: 3050-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.113
BindingDB Entry DOI: 10.7270/Q2CJ8FFS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50318405
PNG
((Z)-6-(4-chlorophenyl)-7-(pyridin-3-ylmethylene)-6...)
Show SMILES Clc1ccc(cc1)C1Cn2cccc2C(=O)\C1=C/c1cccnc1
Show InChI InChI=1S/C20H15ClN2O/c21-16-7-5-15(6-8-16)18-13-23-10-2-4-19(23)20(24)17(18)11-14-3-1-9-22-12-14/h1-12,18H,13H2/b17-11-
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n/an/a 110n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19


Bioorg Med Chem Lett 20: 3050-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.113
BindingDB Entry DOI: 10.7270/Q2CJ8FFS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM10024
PNG
(5-(1H-imidazol-1-ylmethyl)-5,6,7,8-tetrahydroquino...)
Show SMILES C(C1CCCc2ncccc12)n1ccnc1
Show InChI InChI=1S/C13H15N3/c1-3-11(9-16-8-7-14-10-16)12-4-2-6-15-13(12)5-1/h2,4,6-8,10-11H,1,3,5,9H2
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n/an/a 160n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19


Bioorg Med Chem Lett 20: 3050-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.113
BindingDB Entry DOI: 10.7270/Q2CJ8FFS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50318407
PNG
(CHEMBL1098425 | N-[2-(4'-Nitrophenyl)ethyl]-imidaz...)
Show SMILES [O-][N+](=O)c1ccc(CCn2ccnc2)cc1
Show InChI InChI=1S/C11H11N3O2/c15-14(16)11-3-1-10(2-4-11)5-7-13-8-6-12-9-13/h1-4,6,8-9H,5,7H2
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n/an/a 160n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19


Bioorg Med Chem Lett 20: 3050-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.113
BindingDB Entry DOI: 10.7270/Q2CJ8FFS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50318406
PNG
(1-[(7-Fluoronaphth-2-yl)methyl]-1H-imidazole | CHE...)
Show SMILES Fc1ccc2ccc(Cn3ccnc3)cc2c1
Show InChI InChI=1S/C14H11FN2/c15-14-4-3-12-2-1-11(7-13(12)8-14)9-17-6-5-16-10-17/h1-8,10H,9H2
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n/an/a 160n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19


Bioorg Med Chem Lett 20: 3050-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.113
BindingDB Entry DOI: 10.7270/Q2CJ8FFS
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



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19


Bioorg Med Chem Lett 20: 3050-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.113
BindingDB Entry DOI: 10.7270/Q2CJ8FFS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50318408
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(4-methylpent-...)
Show SMILES CC(C)\C=C\Cc1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)cc1
Show InChI InChI=1S/C21H22O5/c1-12(2)4-3-5-15-16(23)10-17(24)20-18(25)11-19(26-21(15)20)13-6-8-14(22)9-7-13/h3-4,6-10,12,19,22-24H,5,11H2,1-2H3/b4-3+
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n/an/a 200n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19


Bioorg Med Chem Lett 20: 3050-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.113
BindingDB Entry DOI: 10.7270/Q2CJ8FFS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50070097
PNG
((Z)-6-(4-chlorophenyl)-7-(pyridin-4-ylmethylene)-6...)
Show SMILES Clc1ccc(cc1)C1Cn2cccc2C(=O)\C1=C/c1ccncc1
Show InChI InChI=1S/C20H15ClN2O/c21-16-5-3-15(4-6-16)18-13-23-11-1-2-19(23)20(24)17(18)12-14-7-9-22-10-8-14/h1-12,18H,13H2/b17-12-
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n/an/a 200n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19


Bioorg Med Chem Lett 20: 3050-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.113
BindingDB Entry DOI: 10.7270/Q2CJ8FFS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50318409
PNG
(7-phenoxy-3-phenyl-2-(pyridin-3-ylmethylthio)chrom...)
Show SMILES O=C1C(C(Oc2cc(Oc3ccccc3)ccc12)SCc1cccnc1)c1ccccc1
Show InChI InChI=1S/C27H21NO3S/c29-26-23-14-13-22(30-21-11-5-2-6-12-21)16-24(23)31-27(25(26)20-9-3-1-4-10-20)32-18-19-8-7-15-28-17-19/h1-17,25,27H,18H2
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n/an/a 210n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19


Bioorg Med Chem Lett 20: 3050-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.113
BindingDB Entry DOI: 10.7270/Q2CJ8FFS
More data for this
Ligand-Target Pair
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