BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 25 hits with Last Name = 'agard' and Initial = 'h'   
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 (CYP19)


(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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Northern Kentucky University

Curated by ChEMBL


Assay Description
Inhibition of aromatase


Bioorg Med Chem 20: 2603-13 (2012)


Article DOI: 10.1016/j.bmc.2012.02.042
BindingDB Entry DOI: 10.7270/Q29S1S24
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50380169
PNG
(CHEMBL2011180)
Show SMILES COc1ccc2OCC(C(=O)c2c1)c1ccccc1
Show InChI InChI=1S/C16H14O3/c1-18-12-7-8-15-13(9-12)16(17)14(10-19-15)11-5-3-2-4-6-11/h2-9,14H,10H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 260n/an/an/an/an/an/a



Northern Kentucky University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aromatase expressed in baculovirus/insect cells using 7-methoxy-trifluoromethylcoumarin as substrate after 30 mins by...


Bioorg Med Chem 20: 2603-13 (2012)


Article DOI: 10.1016/j.bmc.2012.02.042
BindingDB Entry DOI: 10.7270/Q29S1S24
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(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
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Northern Kentucky University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aromatase expressed in baculovirus/insect cells using 7-methoxy-trifluoromethylcoumarin as substrate after 30 mins by...


Bioorg Med Chem 20: 2603-13 (2012)


Article DOI: 10.1016/j.bmc.2012.02.042
BindingDB Entry DOI: 10.7270/Q29S1S24
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Northern Kentucky University

Curated by ChEMBL


Assay Description
Inhibition of aromatase


Bioorg Med Chem 20: 2603-13 (2012)


Article DOI: 10.1016/j.bmc.2012.02.042
BindingDB Entry DOI: 10.7270/Q29S1S24
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50380168
PNG
(CHEMBL2011177)
Show SMILES O=C1C(COc2ccccc12)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C21H16O3/c22-21-18-8-4-5-9-20(18)23-14-19(21)15-10-12-17(13-11-15)24-16-6-2-1-3-7-16/h1-13,19H,14H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



Northern Kentucky University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aromatase expressed in baculovirus/insect cells using 7-methoxy-trifluoromethylcoumarin as substrate after 30 mins by...


Bioorg Med Chem 20: 2603-13 (2012)


Article DOI: 10.1016/j.bmc.2012.02.042
BindingDB Entry DOI: 10.7270/Q29S1S24
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50380176
PNG
(CHEMBL2011188)
Show SMILES Clc1ccc2OCC(C(=O)c2c1)c1ccccc1
Show InChI InChI=1S/C15H11ClO2/c16-11-6-7-14-12(8-11)15(17)13(9-18-14)10-4-2-1-3-5-10/h1-8,13H,9H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.10E+3n/an/an/an/an/an/a



Northern Kentucky University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aromatase expressed in baculovirus/insect cells using 7-methoxy-trifluoromethylcoumarin as substrate after 30 mins by...


Bioorg Med Chem 20: 2603-13 (2012)


Article DOI: 10.1016/j.bmc.2012.02.042
BindingDB Entry DOI: 10.7270/Q29S1S24
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50380174
PNG
(CHEMBL2011186)
Show SMILES O=C1C(COc2ccccc12)c1cccnc1
Show InChI InChI=1S/C14H11NO2/c16-14-11-5-1-2-6-13(11)17-9-12(14)10-4-3-7-15-8-10/h1-8,12H,9H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.80E+3n/an/an/an/an/an/a



Northern Kentucky University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aromatase expressed in baculovirus/insect cells using 7-methoxy-trifluoromethylcoumarin as substrate after 30 mins by...


Bioorg Med Chem 20: 2603-13 (2012)


Article DOI: 10.1016/j.bmc.2012.02.042
BindingDB Entry DOI: 10.7270/Q29S1S24
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50380160
PNG
(CHEMBL2011184)
Show SMILES COc1cc(OC)cc(c1)C1COc2ccccc2C1=O
Show InChI InChI=1S/C17H16O4/c1-19-12-7-11(8-13(9-12)20-2)15-10-21-16-6-4-3-5-14(16)17(15)18/h3-9,15H,10H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Northern Kentucky University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aromatase expressed in baculovirus/insect cells using 7-methoxy-trifluoromethylcoumarin as substrate after 30 mins by...


Bioorg Med Chem 20: 2603-13 (2012)


Article DOI: 10.1016/j.bmc.2012.02.042
BindingDB Entry DOI: 10.7270/Q29S1S24
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50380164
PNG
(CHEMBL2011173)
Show SMILES Cc1ccc2C(=O)C(COc2c1)c1ccccc1
Show InChI InChI=1S/C16H14O2/c1-11-7-8-13-15(9-11)18-10-14(16(13)17)12-5-3-2-4-6-12/h2-9,14H,10H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



Northern Kentucky University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aromatase expressed in baculovirus/insect cells using 7-methoxy-trifluoromethylcoumarin as substrate after 30 mins by...


Bioorg Med Chem 20: 2603-13 (2012)


Article DOI: 10.1016/j.bmc.2012.02.042
BindingDB Entry DOI: 10.7270/Q29S1S24
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50380165
PNG
(CHEMBL2011174)
Show SMILES Cc1cccc(c1)C1COc2ccccc2C1=O
Show InChI InChI=1S/C16H14O2/c1-11-5-4-6-12(9-11)14-10-18-15-8-3-2-7-13(15)16(14)17/h2-9,14H,10H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



Northern Kentucky University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aromatase expressed in baculovirus/insect cells using 7-methoxy-trifluoromethylcoumarin as substrate after 30 mins by...


Bioorg Med Chem 20: 2603-13 (2012)


Article DOI: 10.1016/j.bmc.2012.02.042
BindingDB Entry DOI: 10.7270/Q29S1S24
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50380167
PNG
(CHEMBL2011176)
Show SMILES O=C1C(COc2ccc3ccccc3c12)c1ccccc1
Show InChI InChI=1S/C19H14O2/c20-19-16(13-6-2-1-3-7-13)12-21-17-11-10-14-8-4-5-9-15(14)18(17)19/h1-11,16H,12H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



Northern Kentucky University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aromatase expressed in baculovirus/insect cells using 7-methoxy-trifluoromethylcoumarin as substrate after 30 mins by...


Bioorg Med Chem 20: 2603-13 (2012)


Article DOI: 10.1016/j.bmc.2012.02.042
BindingDB Entry DOI: 10.7270/Q29S1S24
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50380172
PNG
(CHEMBL2011183)
Show SMILES COc1ccc(cc1)C1COc2ccccc2C1=O
Show InChI InChI=1S/C16H14O3/c1-18-12-8-6-11(7-9-12)14-10-19-15-5-3-2-4-13(15)16(14)17/h2-9,14H,10H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40E+4n/an/an/an/an/an/a



Northern Kentucky University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aromatase expressed in baculovirus/insect cells using 7-methoxy-trifluoromethylcoumarin as substrate after 30 mins by...


Bioorg Med Chem 20: 2603-13 (2012)


Article DOI: 10.1016/j.bmc.2012.02.042
BindingDB Entry DOI: 10.7270/Q29S1S24
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50380177
PNG
(CHEMBL2011189)
Show SMILES Brc1ccc2OCC(C(=O)c2c1)c1ccccc1
Show InChI InChI=1S/C15H11BrO2/c16-11-6-7-14-12(8-11)15(17)13(9-18-14)10-4-2-1-3-5-10/h1-8,13H,9H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.90E+4n/an/an/an/an/an/a



Northern Kentucky University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aromatase expressed in baculovirus/insect cells using 7-methoxy-trifluoromethylcoumarin as substrate after 30 mins by...


Bioorg Med Chem 20: 2603-13 (2012)


Article DOI: 10.1016/j.bmc.2012.02.042
BindingDB Entry DOI: 10.7270/Q29S1S24
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50380162
PNG
(CHEMBL2011171)
Show SMILES O=C1C(COc2ccccc12)c1ccccc1
Show InChI InChI=1S/C15H12O2/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11/h1-9,13H,10H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.90E+4n/an/an/an/an/an/a



Northern Kentucky University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aromatase expressed in baculovirus/insect cells using 7-methoxy-trifluoromethylcoumarin as substrate after 30 mins by...


Bioorg Med Chem 20: 2603-13 (2012)


Article DOI: 10.1016/j.bmc.2012.02.042
BindingDB Entry DOI: 10.7270/Q29S1S24
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50380173
PNG
(CHEMBL2011185)
Show SMILES O=C1C(COc2ccccc12)c1ccsc1
Show InChI InChI=1S/C13H10O2S/c14-13-10-3-1-2-4-12(10)15-7-11(13)9-5-6-16-8-9/h1-6,8,11H,7H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



Northern Kentucky University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aromatase expressed in baculovirus/insect cells using 7-methoxy-trifluoromethylcoumarin as substrate after 30 mins by...


Bioorg Med Chem 20: 2603-13 (2012)


Article DOI: 10.1016/j.bmc.2012.02.042
BindingDB Entry DOI: 10.7270/Q29S1S24
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50380175
PNG
(CHEMBL2011187)
Show SMILES Fc1ccc2OCC(C(=O)c2c1)c1ccccc1
Show InChI InChI=1S/C15H11FO2/c16-11-6-7-14-12(8-11)15(17)13(9-18-14)10-4-2-1-3-5-10/h1-8,13H,9H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.20E+4n/an/an/an/an/an/a



Northern Kentucky University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aromatase expressed in baculovirus/insect cells using 7-methoxy-trifluoromethylcoumarin as substrate after 30 mins by...


Bioorg Med Chem 20: 2603-13 (2012)


Article DOI: 10.1016/j.bmc.2012.02.042
BindingDB Entry DOI: 10.7270/Q29S1S24
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50380166
PNG
(CHEMBL2011175)
Show SMILES Cc1ccc(cc1)C1COc2ccccc2C1=O
Show InChI InChI=1S/C16H14O2/c1-11-6-8-12(9-7-11)14-10-18-15-5-3-2-4-13(15)16(14)17/h2-9,14H,10H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.10E+4n/an/an/an/an/an/a



Northern Kentucky University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aromatase expressed in baculovirus/insect cells using 7-methoxy-trifluoromethylcoumarin as substrate after 30 mins by...


Bioorg Med Chem 20: 2603-13 (2012)


Article DOI: 10.1016/j.bmc.2012.02.042
BindingDB Entry DOI: 10.7270/Q29S1S24
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50380179
PNG
(CHEMBL1165711)
Show SMILES COc1ccc2C(=O)C(COc2c1)c1ccccc1
Show InChI InChI=1S/C16H14O3/c1-18-12-7-8-13-15(9-12)19-10-14(16(13)17)11-5-3-2-4-6-11/h2-9,14H,10H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.10E+4n/an/an/an/an/an/a



Northern Kentucky University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aromatase expressed in baculovirus/insect cells using 7-methoxy-trifluoromethylcoumarin as substrate after 30 mins by...


Bioorg Med Chem 20: 2603-13 (2012)


Article DOI: 10.1016/j.bmc.2012.02.042
BindingDB Entry DOI: 10.7270/Q29S1S24
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50380163
PNG
(CHEMBL2011172)
Show SMILES Cc1ccc2OCC(C(=O)c2c1)c1ccccc1
Show InChI InChI=1S/C16H14O2/c1-11-7-8-15-13(9-11)16(17)14(10-18-15)12-5-3-2-4-6-12/h2-9,14H,10H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.40E+4n/an/an/an/an/an/a



Northern Kentucky University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aromatase expressed in baculovirus/insect cells using 7-methoxy-trifluoromethylcoumarin as substrate after 30 mins by...


Bioorg Med Chem 20: 2603-13 (2012)


Article DOI: 10.1016/j.bmc.2012.02.042
BindingDB Entry DOI: 10.7270/Q29S1S24
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50380178
PNG
(CHEMBL2011190)
Show SMILES CC(C)(C)c1ccc2OCC(C(=O)c2c1)c1ccccc1
Show InChI InChI=1S/C19H20O2/c1-19(2,3)14-9-10-17-15(11-14)18(20)16(12-21-17)13-7-5-4-6-8-13/h4-11,16H,12H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.10E+4n/an/an/an/an/an/a



Northern Kentucky University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aromatase expressed in baculovirus/insect cells using 7-methoxy-trifluoromethylcoumarin as substrate after 30 mins by...


Bioorg Med Chem 20: 2603-13 (2012)


Article DOI: 10.1016/j.bmc.2012.02.042
BindingDB Entry DOI: 10.7270/Q29S1S24
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50380170
PNG
(CHEMBL2011181)
Show SMILES COc1ccccc1C1COc2ccccc2C1=O
Show InChI InChI=1S/C16H14O3/c1-18-14-8-4-2-6-11(14)13-10-19-15-9-5-3-7-12(15)16(13)17/h2-9,13H,10H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.70E+4n/an/an/an/an/an/a



Northern Kentucky University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aromatase expressed in baculovirus/insect cells using 7-methoxy-trifluoromethylcoumarin as substrate after 30 mins by...


Bioorg Med Chem 20: 2603-13 (2012)


Article DOI: 10.1016/j.bmc.2012.02.042
BindingDB Entry DOI: 10.7270/Q29S1S24
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50380171
PNG
(CHEMBL2011182)
Show SMILES COc1cccc(c1)C1COc2ccccc2C1=O
Show InChI InChI=1S/C16H14O3/c1-18-12-6-4-5-11(9-12)14-10-19-15-8-3-2-7-13(15)16(14)17/h2-9,14H,10H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.90E+4n/an/an/an/an/an/a



Northern Kentucky University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aromatase expressed in baculovirus/insect cells using 7-methoxy-trifluoromethylcoumarin as substrate after 30 mins by...


Bioorg Med Chem 20: 2603-13 (2012)


Article DOI: 10.1016/j.bmc.2012.02.042
BindingDB Entry DOI: 10.7270/Q29S1S24
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.13E+5n/an/an/an/an/an/a



Northern Kentucky University

Curated by ChEMBL


Assay Description
Inhibition of aromatase


Bioorg Med Chem 20: 2603-13 (2012)


Article DOI: 10.1016/j.bmc.2012.02.042
BindingDB Entry DOI: 10.7270/Q29S1S24
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50380180
PNG
(CHEMBL2011192)
Show SMILES Oc1ccc(cc1)C1COc2ccccc2C1=O
Show InChI InChI=1S/C15H12O3/c16-11-7-5-10(6-8-11)13-9-18-14-4-2-1-3-12(14)15(13)17/h1-8,13,16H,9H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+5n/an/an/an/an/an/a



Northern Kentucky University

Curated by ChEMBL


Assay Description
Inhibition of aromatase


Bioorg Med Chem 20: 2603-13 (2012)


Article DOI: 10.1016/j.bmc.2012.02.042
BindingDB Entry DOI: 10.7270/Q29S1S24
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50380161
PNG
(CHEMBL2011191)
Show SMILES OC1Oc2ccccc2C(=O)C1c1ccccc1
Show InChI InChI=1S/C15H12O3/c16-14-11-8-4-5-9-12(11)18-15(17)13(14)10-6-2-1-3-7-10/h1-9,13,15,17H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70E+5n/an/an/an/an/an/a



Northern Kentucky University

Curated by ChEMBL


Assay Description
Inhibition of aromatase


Bioorg Med Chem 20: 2603-13 (2012)


Article DOI: 10.1016/j.bmc.2012.02.042
BindingDB Entry DOI: 10.7270/Q29S1S24
More data for this
Ligand-Target Pair