BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 4935 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C19'   
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))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
39 -44.0 79n/an/an/an/a7.037



Ohio State University



Assay Description
Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...


Bioorg Med Chem 13: 6571-7 (2005)


Article DOI: 10.1016/j.bmc.2005.07.038
BindingDB Entry DOI: 10.7270/Q2PK0DCK
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9903
PNG
(3-Phenyl-7-(beta-naphthylmethoxy)-2-[(4-pyridylmet...)
Show SMILES O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3ccc4ccccc4c3)ccc12
Show InChI InChI=1S/C32H23NO3S/c34-31-28-13-12-27(35-20-23-10-11-24-6-4-5-9-26(24)18-23)19-29(28)36-32(30(31)25-7-2-1-3-8-25)37-21-22-14-16-33-17-15-22/h1-19H,20-21H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
74 -42.3 90n/an/an/an/a7.037



Ohio State University



Assay Description
Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...


Bioorg Med Chem 13: 6571-7 (2005)


Article DOI: 10.1016/j.bmc.2005.07.038
BindingDB Entry DOI: 10.7270/Q2PK0DCK
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9902
PNG
(3-Phenyl-7-(alpha-naphthylmethoxy)-2-[(4-pyridylme...)
Show SMILES O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3cccc4ccccc34)ccc12
Show InChI InChI=1S/C32H23NO3S/c34-31-28-14-13-26(35-20-25-11-6-10-23-7-4-5-12-27(23)25)19-29(28)36-32(30(31)24-8-2-1-3-9-24)37-21-22-15-17-33-18-16-22/h1-19H,20-21H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
114 -41.2 112n/an/an/an/a7.037



Ohio State University



Assay Description
Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...


Bioorg Med Chem 13: 6571-7 (2005)


Article DOI: 10.1016/j.bmc.2005.07.038
BindingDB Entry DOI: 10.7270/Q2PK0DCK
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9454
PNG
(7-(benzyloxy)-3-phenyl-2-[(pyridin-4-ylmethyl)sulf...)
Show SMILES O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C28H21NO3S/c30-27-24-12-11-23(31-18-20-7-3-1-4-8-20)17-25(24)32-28(26(27)22-9-5-2-6-10-22)33-19-21-13-15-29-16-14-21/h1-17H,18-19H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
220 -39.5 210n/an/an/an/a7.037



Ohio State University



Assay Description
Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...


J Med Chem 47: 4032-40 (2004)


Article DOI: 10.1021/jm0306024
BindingDB Entry DOI: 10.7270/Q2RJ4GP7
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9893
PNG
(2-(1H-Imidazol-1-yl)-3-phenyl-7-(benzyloxy)-4H-1-b...)
Show SMILES O=c1c(-c2ccccc2)c(oc2cc(OCc3ccccc3)ccc12)-n1ccnc1
Show InChI InChI=1S/C25H18N2O3/c28-24-21-12-11-20(29-16-18-7-3-1-4-8-18)15-22(21)30-25(27-14-13-26-17-27)23(24)19-9-5-2-6-10-19/h1-15,17H,16H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
250 -39.2 520n/an/an/an/a7.037



Ohio State University



Assay Description
Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...


Bioorg Med Chem 13: 4063-70 (2005)


Article DOI: 10.1016/j.bmc.2005.03.050
BindingDB Entry DOI: 10.7270/Q2TB154R
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9459
PNG
(7-Hydroxy-3-(4-methoxyphenyl)-2-[(4-pyridylmethyl)...)
Show SMILES COc1ccc(cc1)-c1c(SCc2ccncc2)oc2cc(O)ccc2c1=O
Show InChI InChI=1S/C22H17NO4S/c1-26-17-5-2-15(3-6-17)20-21(25)18-7-4-16(24)12-19(18)27-22(20)28-13-14-8-10-23-11-9-14/h2-12,24H,13H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
260 -39.1 220n/an/an/an/a7.037



Ohio State University



Assay Description
Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...


J Med Chem 47: 4032-40 (2004)


Article DOI: 10.1021/jm0306024
BindingDB Entry DOI: 10.7270/Q2RJ4GP7
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9458
PNG
(7-Hydroxy-3-(4-hydroxyphenyl)-2-[(4-pyridylmethyl)...)
Show SMILES Oc1ccc(cc1)-c1c(SCc2ccncc2)oc2cc(O)ccc2c1=O
Show InChI InChI=1S/C21H15NO4S/c23-15-3-1-14(2-4-15)19-20(25)17-6-5-16(24)11-18(17)26-21(19)27-12-13-7-9-22-10-8-13/h1-11,23-24H,12H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
310 -38.6 280n/an/an/an/a7.037



Ohio State University



Assay Description
Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...


J Med Chem 47: 4032-40 (2004)


Article DOI: 10.1021/jm0306024
BindingDB Entry DOI: 10.7270/Q2RJ4GP7
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9891
PNG
(2-(1H-Imidazol-1-yl)-7-methoxy-3-phenyl-4H-1-benzo...)
Show SMILES COc1ccc2c(c1)oc(c(-c1ccccc1)c2=O)-n1ccnc1
Show InChI InChI=1S/C19H14N2O3/c1-23-14-7-8-15-16(11-14)24-19(21-10-9-20-12-21)17(18(15)22)13-5-3-2-4-6-13/h2-12H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
680 -36.6 770n/an/an/an/a7.037



Ohio State University



Assay Description
Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...


Bioorg Med Chem 13: 4063-70 (2005)


Article DOI: 10.1016/j.bmc.2005.03.050
BindingDB Entry DOI: 10.7270/Q2TB154R
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9449
PNG
(7-Methoxy-3-phenyl-2-[(4-pyridylmethyl)thio]-4H-1-...)
Show SMILES COc1ccc2c(c1)oc(SCc1ccncc1)c(-c1ccccc1)c2=O
Show InChI InChI=1S/C22H17NO3S/c1-25-17-7-8-18-19(13-17)26-22(27-14-15-9-11-23-12-10-15)20(21(18)24)16-5-3-2-4-6-16/h2-13H,14H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
900 -35.9 1.60E+3n/an/an/an/a7.037



Ohio State University



Assay Description
Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...


J Med Chem 47: 4032-40 (2004)


Article DOI: 10.1021/jm0306024
BindingDB Entry DOI: 10.7270/Q2RJ4GP7
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9452
PNG
(7-Methoxy-3-(4-methylphenyl)-2-[(4-pyridylmethyl)-...)
Show SMILES COc1ccc2c(c1)oc(SCc1ccncc1)c(-c1ccc(C)cc1)c2=O
Show InChI InChI=1S/C23H19NO3S/c1-15-3-5-17(6-4-15)21-22(25)19-8-7-18(26-2)13-20(19)27-23(21)28-14-16-9-11-24-12-10-16/h3-13H,14H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
1.16E+3 -35.2 3.00E+3n/an/an/an/a7.037



Ohio State University



Assay Description
Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...


J Med Chem 47: 4032-40 (2004)


Article DOI: 10.1021/jm0306024
BindingDB Entry DOI: 10.7270/Q2RJ4GP7
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

DrugBank
Article
PubMed
1.41E+3 -34.7 2.80E+3n/an/an/an/a7.037



Ohio State University



Assay Description
Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...


J Med Chem 47: 4032-40 (2004)


Article DOI: 10.1021/jm0306024
BindingDB Entry DOI: 10.7270/Q2RJ4GP7
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

DrugBank
Article
PubMed
1.41E+3 -34.7 2.80E+3n/an/an/an/a7.037



Ohio State University



Assay Description
Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...


Bioorg Med Chem 13: 6571-7 (2005)


Article DOI: 10.1016/j.bmc.2005.07.038
BindingDB Entry DOI: 10.7270/Q2PK0DCK
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

DrugBank
Article
PubMed
1.41E+3 -34.7 2.80E+3n/an/an/an/a7.037



Ohio State University



Assay Description
Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...


Bioorg Med Chem 13: 4063-70 (2005)


Article DOI: 10.1016/j.bmc.2005.03.050
BindingDB Entry DOI: 10.7270/Q2TB154R
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9453
PNG
(7-methoxy-3-(4-methoxyphenyl)-2-[(pyridin-4-ylmeth...)
Show SMILES COc1ccc(cc1)-c1c(SCc2ccncc2)oc2cc(OC)ccc2c1=O
Show InChI InChI=1S/C23H19NO4S/c1-26-17-5-3-16(4-6-17)21-22(25)19-8-7-18(27-2)13-20(19)28-23(21)29-14-15-9-11-24-12-10-15/h3-13H,14H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
1.69E+3 -34.3 3.10E+3n/an/an/an/a7.037



Ohio State University



Assay Description
Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...


J Med Chem 47: 4032-40 (2004)


Article DOI: 10.1021/jm0306024
BindingDB Entry DOI: 10.7270/Q2RJ4GP7
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9892
PNG
(2-(1H-Imidazol-1-yl)-7-methoxy-3-(4-methoxyphenyl)...)
Show SMILES COc1ccc(cc1)-c1c(oc2cc(OC)ccc2c1=O)-n1ccnc1
Show InChI InChI=1S/C20H16N2O4/c1-24-14-5-3-13(4-6-14)18-19(23)16-8-7-15(25-2)11-17(16)26-20(18)22-10-9-21-12-22/h3-12H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
1.82E+3 -34.1 2.00E+3n/an/an/an/a7.037



Ohio State University



Assay Description
Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...


Bioorg Med Chem 13: 4063-70 (2005)


Article DOI: 10.1016/j.bmc.2005.03.050
BindingDB Entry DOI: 10.7270/Q2TB154R
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9894
PNG
(2-(1H-Imidazol-1-yl)-3-(4-methoxyphenyl)-7-(benzyl...)
Show SMILES COc1ccc(cc1)-c1c(oc2cc(OCc3ccccc3)ccc2c1=O)-n1ccnc1
Show InChI InChI=1S/C26H20N2O4/c1-30-20-9-7-19(8-10-20)24-25(29)22-12-11-21(31-16-18-5-3-2-4-6-18)15-23(22)32-26(24)28-14-13-27-17-28/h2-15,17H,16H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
4.40E+3 -31.8 4.70E+3n/an/an/an/a7.037



Ohio State University



Assay Description
Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...


Bioorg Med Chem 13: 4063-70 (2005)


Article DOI: 10.1016/j.bmc.2005.03.050
BindingDB Entry DOI: 10.7270/Q2TB154R
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
1.20E+4 -29.2 3.40E+4n/an/an/an/a7.037



Ohio State University



Assay Description
Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...


J Med Chem 47: 4032-40 (2004)


Article DOI: 10.1021/jm0306024
BindingDB Entry DOI: 10.7270/Q2RJ4GP7
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
1.20E+4 -29.2 3.40E+4n/an/an/an/a7.037



Ohio State University



Assay Description
Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...


Bioorg Med Chem 13: 4063-70 (2005)


Article DOI: 10.1016/j.bmc.2005.03.050
BindingDB Entry DOI: 10.7270/Q2TB154R
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9904
PNG
(3-Phenyl-7-(phenylethoxy)-2-[(4-pyridylmethyl)thio...)
Show SMILES O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCCc3ccccc3)ccc12
Show InChI InChI=1S/C29H23NO3S/c31-28-25-12-11-24(32-18-15-21-7-3-1-4-8-21)19-26(25)33-29(27(28)23-9-5-2-6-10-23)34-20-22-13-16-30-17-14-22/h1-14,16-17,19H,15,18,20H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 359n/an/an/an/a7.037



Ohio State University



Assay Description
Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...


Bioorg Med Chem 13: 6571-7 (2005)


Article DOI: 10.1016/j.bmc.2005.07.038
BindingDB Entry DOI: 10.7270/Q2PK0DCK
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9905
PNG
(3-Phenyl-7-(2-methoxyphenylmethoxy)-2-[(4-pyridylm...)
Show SMILES COc1ccccc1COc1ccc2c(c1)oc(SCc1ccncc1)c(-c1ccccc1)c2=O
Show InChI InChI=1S/C29H23NO4S/c1-32-25-10-6-5-9-22(25)18-33-23-11-12-24-26(17-23)34-29(35-19-20-13-15-30-16-14-20)27(28(24)31)21-7-3-2-4-8-21/h2-17H,18-19H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 243n/an/an/an/a7.037



Ohio State University



Assay Description
Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...


Bioorg Med Chem 13: 6571-7 (2005)


Article DOI: 10.1016/j.bmc.2005.07.038
BindingDB Entry DOI: 10.7270/Q2PK0DCK
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9906
PNG
(3-Phenyl-7-(4-methoxyphenylmethoxy)-2-[(4-pyridylm...)
Show SMILES COc1ccc(COc2ccc3c(c2)oc(SCc2ccncc2)c(-c2ccccc2)c3=O)cc1
Show InChI InChI=1S/C29H23NO4S/c1-32-23-9-7-20(8-10-23)18-33-24-11-12-25-26(17-24)34-29(35-19-21-13-15-30-16-14-21)27(28(25)31)22-5-3-2-4-6-22/h2-17H,18-19H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 161n/an/an/an/a7.037



Ohio State University



Assay Description
Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...


Bioorg Med Chem 13: 6571-7 (2005)


Article DOI: 10.1016/j.bmc.2005.07.038
BindingDB Entry DOI: 10.7270/Q2PK0DCK
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9907
PNG
(3-Phenyl-7-(cyclohexylmethoxy)-2-[(4-pyridylmethyl...)
Show SMILES O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCC3CCCCC3)ccc12
Show InChI InChI=1S/C28H27NO3S/c30-27-24-12-11-23(31-18-20-7-3-1-4-8-20)17-25(24)32-28(26(27)22-9-5-2-6-10-22)33-19-21-13-15-29-16-14-21/h2,5-6,9-17,20H,1,3-4,7-8,18-19H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 553n/an/an/an/a7.037



Ohio State University



Assay Description
Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...


Bioorg Med Chem 13: 6571-7 (2005)


Article DOI: 10.1016/j.bmc.2005.07.038
BindingDB Entry DOI: 10.7270/Q2PK0DCK
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9908
PNG
(3-Phenyl-7-(4-fluorophenylmethoxy)-2-[(4-pyridylme...)
Show SMILES Fc1ccc(COc2ccc3c(c2)oc(SCc2ccncc2)c(-c2ccccc2)c3=O)cc1
Show InChI InChI=1S/C28H20FNO3S/c29-22-8-6-19(7-9-22)17-32-23-10-11-24-25(16-23)33-28(34-18-20-12-14-30-15-13-20)26(27(24)31)21-4-2-1-3-5-21/h1-16H,17-18H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 337n/an/an/an/a7.037



Ohio State University



Assay Description
Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...


Bioorg Med Chem 13: 6571-7 (2005)


Article DOI: 10.1016/j.bmc.2005.07.038
BindingDB Entry DOI: 10.7270/Q2PK0DCK
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9909
PNG
(3-Phenyl-7-(4-bromophenylmethoxy)-2-[(4-pyridylmet...)
Show SMILES Brc1ccc(COc2ccc3c(c2)oc(SCc2ccncc2)c(-c2ccccc2)c3=O)cc1
Show InChI InChI=1S/C28H20BrNO3S/c29-22-8-6-19(7-9-22)17-32-23-10-11-24-25(16-23)33-28(34-18-20-12-14-30-15-13-20)26(27(24)31)21-4-2-1-3-5-21/h1-16H,17-18H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 213n/an/an/an/a7.037



Ohio State University



Assay Description
Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...


Bioorg Med Chem 13: 6571-7 (2005)


Article DOI: 10.1016/j.bmc.2005.07.038
BindingDB Entry DOI: 10.7270/Q2PK0DCK
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9910
PNG
(3-Phenyl-7-(4-chlorophenylmethoxy)-2-[(4-pyridylme...)
Show SMILES Clc1ccc(COc2ccc3c(c2)oc(SCc2ccncc2)c(-c2ccccc2)c3=O)cc1
Show InChI InChI=1S/C28H20ClNO3S/c29-22-8-6-19(7-9-22)17-32-23-10-11-24-25(16-23)33-28(34-18-20-12-14-30-15-13-20)26(27(24)31)21-4-2-1-3-5-21/h1-16H,17-18H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 233n/an/an/an/a7.037



Ohio State University



Assay Description
Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...


Bioorg Med Chem 13: 6571-7 (2005)


Article DOI: 10.1016/j.bmc.2005.07.038
BindingDB Entry DOI: 10.7270/Q2PK0DCK
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9895
PNG
(7-Methoxy-3-phenyl-2-(1H-1,2,4-triazol-1-yl)-4H-1-...)
Show SMILES COc1ccc2c(c1)oc(c(-c1ccccc1)c2=O)-n1cncn1
Show InChI InChI=1S/C18H13N3O3/c1-23-13-7-8-14-15(9-13)24-18(21-11-19-10-20-21)16(17(14)22)12-5-3-2-4-6-12/h2-11H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80E+4n/an/an/an/a7.037



Ohio State University



Assay Description
Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...


Bioorg Med Chem 13: 4063-70 (2005)


Article DOI: 10.1016/j.bmc.2005.03.050
BindingDB Entry DOI: 10.7270/Q2TB154R
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9912
PNG
(3-Phenyl-7-(2-pyridylmethoxy)-2-[(4-pyridylmethyl)...)
Show SMILES O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3ccccn3)ccc12
Show InChI InChI=1S/C27H20N2O3S/c30-26-23-10-9-22(31-17-21-8-4-5-13-29-21)16-24(23)32-27(25(26)20-6-2-1-3-7-20)33-18-19-11-14-28-15-12-19/h1-16H,17-18H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 378n/an/an/an/a7.037



Ohio State University



Assay Description
Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...


Bioorg Med Chem 13: 6571-7 (2005)


Article DOI: 10.1016/j.bmc.2005.07.038
BindingDB Entry DOI: 10.7270/Q2PK0DCK
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9457
PNG
(7-Hydroxy-3-phenyl-2-[(3-pyridylmethyl)thio]-4H-1-...)
Show SMILES Oc1ccc2c(c1)oc(SCc1cccnc1)c(-c1ccccc1)c2=O
Show InChI InChI=1S/C21H15NO3S/c23-16-8-9-17-18(11-16)25-21(26-13-14-5-4-10-22-12-14)19(20(17)24)15-6-2-1-3-7-15/h1-12,23H,13H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.60E+3n/an/an/an/a7.037



Ohio State University



Assay Description
Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...


J Med Chem 47: 4032-40 (2004)


Article DOI: 10.1021/jm0306024
BindingDB Entry DOI: 10.7270/Q2RJ4GP7
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9896
PNG
(2-(1H-Imidazolyl-2-thio)-7-methoxy-3-phenyl-4H-1-b...)
Show SMILES COc1ccc2c(c1)oc(Sc1ncc[nH]1)c(-c1ccccc1)c2=O
Show InChI InChI=1S/C19H14N2O3S/c1-23-13-7-8-14-15(11-13)24-18(25-19-20-9-10-21-19)16(17(14)22)12-5-3-2-4-6-12/h2-11H,1H3,(H,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/a7.037



Ohio State University



Assay Description
Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...


Bioorg Med Chem 13: 4063-70 (2005)


Article DOI: 10.1016/j.bmc.2005.03.050
BindingDB Entry DOI: 10.7270/Q2TB154R
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9897
PNG
(2-thioazole isoflavone analog 3c | 7-Methoxy-2-(1-...)
Show SMILES COc1ccc2c(c1)oc(Sc1nccn1C)c(-c1ccccc1)c2=O
Show InChI InChI=1S/C20H16N2O3S/c1-22-11-10-21-20(22)26-19-17(13-6-4-3-5-7-13)18(23)15-9-8-14(24-2)12-16(15)25-19/h3-12H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/a7.037



Ohio State University



Assay Description
Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...


Bioorg Med Chem 13: 4063-70 (2005)


Article DOI: 10.1016/j.bmc.2005.03.050
BindingDB Entry DOI: 10.7270/Q2TB154R
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9901
PNG
(3-Phenyl-7-(4-nitrophenylmethoxy)-2-[(4-pyridylmet...)
Show SMILES O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3ccc(cc3)N(=O)=O)ccc12
Show InChI InChI=1S/C28H20N2O5S/c31-27-24-11-10-23(34-17-19-6-8-22(9-7-19)30(32)33)16-25(24)35-28(26(27)21-4-2-1-3-5-21)36-18-20-12-14-29-15-13-20/h1-16H,17-18H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 132n/an/an/an/a7.037



Ohio State University



Assay Description
Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...


Bioorg Med Chem 13: 6571-7 (2005)


Article DOI: 10.1016/j.bmc.2005.07.038
BindingDB Entry DOI: 10.7270/Q2PK0DCK
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9900
PNG
(3-Phenyl-7-(3-nitrophenylmethoxy)-2-[(4-pyridylmet...)
Show SMILES O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3cccc(c3)N(=O)=O)ccc12
Show InChI InChI=1S/C28H20N2O5S/c31-27-24-10-9-23(34-17-20-5-4-8-22(15-20)30(32)33)16-25(24)35-28(26(27)21-6-2-1-3-7-21)36-18-19-11-13-29-14-12-19/h1-16H,17-18H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 113n/an/an/an/a7.037



Ohio State University



Assay Description
Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...


Bioorg Med Chem 13: 6571-7 (2005)


Article DOI: 10.1016/j.bmc.2005.07.038
BindingDB Entry DOI: 10.7270/Q2PK0DCK
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9898
PNG
(2-thioazole isoflavone analog 3d | 7-Methoxy-3-phe...)
Show SMILES COc1ccc2c(c1)oc(Sc1nnc[nH]1)c(-c1ccccc1)c2=O
Show InChI InChI=1S/C18H13N3O3S/c1-23-12-7-8-13-14(9-12)24-17(25-18-19-10-20-21-18)15(16(13)22)11-5-3-2-4-6-11/h2-10H,1H3,(H,19,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/a7.037



Ohio State University



Assay Description
Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...


Bioorg Med Chem 13: 4063-70 (2005)


Article DOI: 10.1016/j.bmc.2005.03.050
BindingDB Entry DOI: 10.7270/Q2TB154R
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9899
PNG
(3-Phenyl-7-(2-nitrophenylmethoxy)-2-[(4-pyridylmet...)
Show SMILES O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3ccccc3N(=O)=O)ccc12
Show InChI InChI=1S/C28H20N2O5S/c31-27-23-11-10-22(34-17-21-8-4-5-9-24(21)30(32)33)16-25(23)35-28(26(27)20-6-2-1-3-7-20)36-18-19-12-14-29-15-13-19/h1-16H,17-18H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 138n/an/an/an/a7.037



Ohio State University



Assay Description
Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...


Bioorg Med Chem 13: 6571-7 (2005)


Article DOI: 10.1016/j.bmc.2005.07.038
BindingDB Entry DOI: 10.7270/Q2PK0DCK
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9456
PNG
(7-Hydroxy-3-phenyl-2-[(4-pyridylmethyl)thio]-4H-1-...)
Show SMILES Oc1ccc2c(c1)oc(SCc1ccncc1)c(-c1ccccc1)c2=O
Show InChI InChI=1S/C21H15NO3S/c23-16-6-7-17-18(12-16)25-21(26-13-14-8-10-22-11-9-14)19(20(17)24)15-4-2-1-3-5-15/h1-12,23H,13H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 610n/an/an/an/a7.037



Ohio State University



Assay Description
Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...


J Med Chem 47: 4032-40 (2004)


Article DOI: 10.1021/jm0306024
BindingDB Entry DOI: 10.7270/Q2RJ4GP7
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9455
PNG
(3-(4-Methoxyphenyl)-7-(phenylmethoxy)-2-[(4-pyridy...)
Show SMILES COc1ccc(cc1)-c1c(SCc2ccncc2)oc2cc(OCc3ccccc3)ccc2c1=O
Show InChI InChI=1S/C29H23NO4S/c1-32-23-9-7-22(8-10-23)27-28(31)25-12-11-24(33-18-20-5-3-2-4-6-20)17-26(25)34-29(27)35-19-21-13-15-30-16-14-21/h2-17H,18-19H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 530n/an/an/an/a7.037



Ohio State University



Assay Description
Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...


J Med Chem 47: 4032-40 (2004)


Article DOI: 10.1021/jm0306024
BindingDB Entry DOI: 10.7270/Q2RJ4GP7
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9451
PNG
(7-Methoxy-3-phenyl-2-[(2-pyridylmethyl)thio]-4H-1-...)
Show SMILES COc1ccc2c(c1)oc(SCc1ccccn1)c(-c1ccccc1)c2=O
Show InChI InChI=1S/C22H17NO3S/c1-25-17-10-11-18-19(13-17)26-22(27-14-16-9-5-6-12-23-16)20(21(18)24)15-7-3-2-4-8-15/h2-13H,14H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/a7.037



Ohio State University



Assay Description
Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...


J Med Chem 47: 4032-40 (2004)


Article DOI: 10.1021/jm0306024
BindingDB Entry DOI: 10.7270/Q2RJ4GP7
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9450
PNG
(7-Methoxy-3-phenyl-2-[(3-pyridylmethyl)thio]-4H-1-...)
Show SMILES COc1ccc2c(c1)oc(SCc1cccnc1)c(-c1ccccc1)c2=O
Show InChI InChI=1S/C22H17NO3S/c1-25-17-9-10-18-19(12-17)26-22(27-14-15-6-5-11-23-13-15)20(21(18)24)16-7-3-2-4-8-16/h2-13H,14H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 9.20E+3n/an/an/an/a7.037



Ohio State University



Assay Description
Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...


J Med Chem 47: 4032-40 (2004)


Article DOI: 10.1021/jm0306024
BindingDB Entry DOI: 10.7270/Q2RJ4GP7
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9448
PNG
(2-(benzylsulfanyl)-7-methoxy-3-phenyl-4H-chromen-4...)
Show SMILES COc1ccc2c(c1)oc(SCc1ccccc1)c(-c1ccccc1)c2=O
Show InChI InChI=1S/C23H18O3S/c1-25-18-12-13-19-20(14-18)26-23(27-15-16-8-4-2-5-9-16)21(22(19)24)17-10-6-3-7-11-17/h2-14H,15H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/a7.037



Ohio State University



Assay Description
Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...


J Med Chem 47: 4032-40 (2004)


Article DOI: 10.1021/jm0306024
BindingDB Entry DOI: 10.7270/Q2RJ4GP7
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9447
PNG
(7-Methoxy-3-phenyl-2-[(propen-3-yl)thio]-4H-1-benz...)
Show SMILES COc1ccc2c(c1)oc(SCC=C)c(-c1ccccc1)c2=O
Show InChI InChI=1S/C19H16O3S/c1-3-11-23-19-17(13-7-5-4-6-8-13)18(20)15-10-9-14(21-2)12-16(15)22-19/h3-10,12H,1,11H2,2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/a7.037



Ohio State University



Assay Description
Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...


J Med Chem 47: 4032-40 (2004)


Article DOI: 10.1021/jm0306024
BindingDB Entry DOI: 10.7270/Q2RJ4GP7
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9446
PNG
(3-(4-Methoxyphenyl)-7-(phenylmethoxy)-2-[(phenylme...)
Show SMILES COc1ccc(cc1)-c1c(SCc2ccccc2)oc2cc(OCc3ccccc3)ccc2c1=O
Show InChI InChI=1S/C30H24O4S/c1-32-24-14-12-23(13-15-24)28-29(31)26-17-16-25(33-19-21-8-4-2-5-9-21)18-27(26)34-30(28)35-20-22-10-6-3-7-11-22/h2-18H,19-20H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/a7.037



Ohio State University



Assay Description
Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...


J Med Chem 47: 4032-40 (2004)


Article DOI: 10.1021/jm0306024
BindingDB Entry DOI: 10.7270/Q2RJ4GP7
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9445
PNG
(3-(4-Methoxyphenyl)-7-(phenylmethoxy)-2-[(propen-3...)
Show SMILES COc1ccc(cc1)-c1c(SCC=C)oc2cc(OCc3ccccc3)ccc2c1=O
Show InChI InChI=1S/C26H22O4S/c1-3-15-31-26-24(19-9-11-20(28-2)12-10-19)25(27)22-14-13-21(16-23(22)30-26)29-17-18-7-5-4-6-8-18/h3-14,16H,1,15,17H2,2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/a7.037



Ohio State University



Assay Description
Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...


J Med Chem 47: 4032-40 (2004)


Article DOI: 10.1021/jm0306024
BindingDB Entry DOI: 10.7270/Q2RJ4GP7
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM10056
PNG
((2R,15S)-2-{2-[(2-hydroxyethyl)sulfanyl]ethyl}-15-...)
Show SMILES C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSCCO)C1CCC2=O
Show InChI InChI=1S/C22H30O3S/c1-21-8-7-19-17(18(21)4-5-20(21)25)3-2-15-14-16(24)6-9-22(15,19)10-12-26-13-11-23/h7,14,17-18,23H,2-6,8-13H2,1H3/t17?,18?,21-,22+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/a7.237



Centre de Recherche de Roussel Uclaf



Assay Description
The enzyme activity was assayed by measuring the formation of tritiated water from [1beta, 2beta-3H ]androstenedione in the presence of increasing co...


J Med Chem 39: 757-72 (1996)


Article DOI: 10.1021/jm950539l
BindingDB Entry DOI: 10.7270/Q28C9TGH
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM10047
PNG
((2R,15S)-2-[2-(ethylsulfanyl)ethyl]-15-methyltetra...)
Show SMILES CCSCC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CC=C21
Show InChI InChI=1S/C22H30O2S/c1-3-25-13-12-22-11-8-16(23)14-15(22)4-5-17-18-6-7-20(24)21(18,2)10-9-19(17)22/h9,14,17-18H,3-8,10-13H2,1-2H3/t17?,18?,21-,22+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 870n/an/an/an/a7.237



Centre de Recherche de Roussel Uclaf



Assay Description
The enzyme activity was assayed by measuring the formation of tritiated water from [1beta, 2beta-3H ]androstenedione in the presence of increasing co...


J Med Chem 39: 757-72 (1996)


Article DOI: 10.1021/jm950539l
BindingDB Entry DOI: 10.7270/Q28C9TGH
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM10058
PNG
((2R,15S)-15-methyl-2-{2-[(2-sulfanylethyl)sulfanyl...)
Show SMILES C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSCCS)C1CCC2=O
Show InChI InChI=1S/C22H30O2S2/c1-21-8-7-19-17(18(21)4-5-20(21)24)3-2-15-14-16(23)6-9-22(15,19)10-12-26-13-11-25/h7,14,17-18,25H,2-6,8-13H2,1H3/t17?,18?,21-,22+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/a7.237



Centre de Recherche de Roussel Uclaf



Assay Description
The enzyme activity was assayed by measuring the formation of tritiated water from [1beta, 2beta-3H ]androstenedione in the presence of increasing co...


J Med Chem 39: 757-72 (1996)


Article DOI: 10.1021/jm950539l
BindingDB Entry DOI: 10.7270/Q28C9TGH
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM10046
PNG
((2S,15S)-15-methyl-2-[2-(methylsulfanyl)ethyl]tetr...)
Show SMILES CSCC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CCC21
Show InChI InChI=1S/C21H30O2S/c1-20-9-8-18-16(17(20)5-6-19(20)23)4-3-14-13-15(22)7-10-21(14,18)11-12-24-2/h13,16-18H,3-12H2,1-2H3/t16?,17?,18?,20-,21+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 22n/an/an/an/a7.237



Centre de Recherche de Roussel Uclaf



Assay Description
The enzyme activity was assayed by measuring the formation of tritiated water from [1beta, 2beta-3H ]androstenedione in the presence of increasing co...


J Med Chem 39: 757-72 (1996)


Article DOI: 10.1021/jm950539l
BindingDB Entry DOI: 10.7270/Q28C9TGH
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM10044
PNG
((2S,15S)-15-methyl-2-[(methylsulfanyl)methyl]tetra...)
Show SMILES CSC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CCC21
Show InChI InChI=1S/C20H28O2S/c1-19-9-8-17-15(16(19)5-6-18(19)22)4-3-13-11-14(21)7-10-20(13,17)12-23-2/h11,15-17H,3-10,12H2,1-2H3/t15?,16?,17?,19-,20+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 42n/an/an/an/a7.237



Centre de Recherche de Roussel Uclaf



Assay Description
The enzyme activity was assayed by measuring the formation of tritiated water from [1beta, 2beta-3H ]androstenedione in the presence of increasing co...


J Med Chem 39: 757-72 (1996)


Article DOI: 10.1021/jm950539l
BindingDB Entry DOI: 10.7270/Q28C9TGH
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM10043
PNG
((2R,15S)-15-methyl-2-(methylsulfanyl)tetracyclo[8....)
Show SMILES CS[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CC=C21
Show InChI InChI=1S/C19H24O2S/c1-18-9-8-16-14(15(18)5-6-17(18)21)4-3-12-11-13(20)7-10-19(12,16)22-2/h8,11,14-15H,3-7,9-10H2,1-2H3/t14?,15?,18-,19+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.40E+3n/an/an/an/a7.237



Centre de Recherche de Roussel Uclaf



Assay Description
The enzyme activity was assayed by measuring the formation of tritiated water from [1beta, 2beta-3H ]androstenedione in the presence of increasing co...


J Med Chem 39: 757-72 (1996)


Article DOI: 10.1021/jm950539l
BindingDB Entry DOI: 10.7270/Q28C9TGH
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM10045
PNG
((2R,15S)-15-methyl-2-[2-(methylsulfanyl)ethyl]tetr...)
Show SMILES CSCC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CC=C21
Show InChI InChI=1S/C21H28O2S/c1-20-9-8-18-16(17(20)5-6-19(20)23)4-3-14-13-15(22)7-10-21(14,18)11-12-24-2/h8,13,16-17H,3-7,9-12H2,1-2H3/t16?,17?,20-,21+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12n/an/an/an/a7.237



Centre de Recherche de Roussel Uclaf



Assay Description
The enzyme activity was assayed by measuring the formation of tritiated water from [1beta, 2beta-3H ]androstenedione in the presence of increasing co...


J Med Chem 39: 757-72 (1996)


Article DOI: 10.1021/jm950539l
BindingDB Entry DOI: 10.7270/Q28C9TGH
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM10055
PNG
((2R,15S)-2-[2-(acetylsulfanyl)ethyl]-15-methyltetr...)
Show SMILES CC(=O)SCC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CC=C21
Show InChI InChI=1S/C22H28O3S/c1-14(23)26-12-11-22-10-7-16(24)13-15(22)3-4-17-18-5-6-20(25)21(18,2)9-8-19(17)22/h8,13,17-18H,3-7,9-12H2,1-2H3/t17?,18?,21-,22+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/a7.237



Centre de Recherche de Roussel Uclaf



Assay Description
The enzyme activity was assayed by measuring the formation of tritiated water from [1beta, 2beta-3H ]androstenedione in the presence of increasing co...


J Med Chem 39: 757-72 (1996)


Article DOI: 10.1021/jm950539l
BindingDB Entry DOI: 10.7270/Q28C9TGH
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 4935 total )  |  Next  |  Last  >>
Jump to: