BindingDB logo
myBDB logout

PubMed code 27565954

Compile data set for download or QSAR
Found 11 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aromatase (CYP19)


(Homo sapiens (human))
BDBM202577
PNG
(3-[4-(1,2-Dihydro-1,5-dimethyl-2-phenyl-3-oxo-3H-p...)
Show SMILES Cc1c(-c2nocc2SC#N)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C15H12N4O2S/c1-10-13(14-12(22-9-16)8-21-17-14)15(20)19(18(10)2)11-6-4-3-5-7-11/h3-8H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.30n/an/an/an/an/an/a



Yueyang Vocational Technical College



Assay Description
This fluorescence-based assay measures the rate at which recombinant human aromatase (baculovirus/insect cell-expressed) converts the substrate 7-m...


Chem Biol Drug Des 88: 832-843 (2016)


Article DOI: 10.1111/cbdd.12812
BindingDB Entry DOI: 10.7270/Q2HM578V
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(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
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 2.80n/an/an/an/an/an/a



Yueyang Vocational Technical College



Assay Description
This fluorescence-based assay measures the rate at which recombinant human aromatase (baculovirus/insect cell-expressed) converts the substrate 7-m...


Chem Biol Drug Des 88: 832-843 (2016)


Article DOI: 10.1111/cbdd.12812
BindingDB Entry DOI: 10.7270/Q2HM578V
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM202580
PNG
(2-Chloro-4-[4-(1,2-dihydro-1,5-dimethyl-2-phenyl-3...)
Show SMILES Cc1c(-c2csc(Cl)n2)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C14H12ClN3OS/c1-9-12(11-8-20-14(15)16-11)13(19)18(17(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.30n/an/an/an/an/an/a



Yueyang Vocational Technical College



Assay Description
This fluorescence-based assay measures the rate at which recombinant human aromatase (baculovirus/insect cell-expressed) converts the substrate 7-m...


Chem Biol Drug Des 88: 832-843 (2016)


Article DOI: 10.1111/cbdd.12812
BindingDB Entry DOI: 10.7270/Q2HM578V
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM202578
PNG
(3-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyra...)
Show SMILES CC1C(C(=O)N(N1C)c1ccccc1)c1csc2nc3ccccc3c(=O)n12
Show InChI InChI=1S/C21H18N4O2S/c1-13-18(20(27)25(23(13)2)14-8-4-3-5-9-14)17-12-28-21-22-16-11-7-6-10-15(16)19(26)24(17)21/h3-13,18H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.40n/an/an/an/an/an/a



Yueyang Vocational Technical College



Assay Description
This fluorescence-based assay measures the rate at which recombinant human aromatase (baculovirus/insect cell-expressed) converts the substrate 7-m...


Chem Biol Drug Des 88: 832-843 (2016)


Article DOI: 10.1111/cbdd.12812
BindingDB Entry DOI: 10.7270/Q2HM578V
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM202579
PNG
(2-Hydroxy-4-([4-(1,2-dihydro-1,5-dimethyl-2-phenyl...)
Show SMILES Cc1c(-c2csc(O)n2)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C14H13N3O2S/c1-9-12(11-8-20-14(19)15-11)13(18)17(16(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,15,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.5n/an/an/an/an/an/a



Yueyang Vocational Technical College



Assay Description
This fluorescence-based assay measures the rate at which recombinant human aromatase (baculovirus/insect cell-expressed) converts the substrate 7-m...


Chem Biol Drug Des 88: 832-843 (2016)


Article DOI: 10.1111/cbdd.12812
BindingDB Entry DOI: 10.7270/Q2HM578V
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM202576
PNG
(1-Phenyl-3-[4-(1,2-Dihydro-1,5-dimethyl-2-phenyl-3...)
Show SMILES Cc1c(-c2nn(cc2SC#C)-c2ccccc2)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C22H18N4OS/c1-4-28-19-15-25(17-11-7-5-8-12-17)23-21(19)20-16(2)24(3)26(22(20)27)18-13-9-6-10-14-18/h1,5-15H,2-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.70n/an/an/an/an/an/a



Yueyang Vocational Technical College



Assay Description
This fluorescence-based assay measures the rate at which recombinant human aromatase (baculovirus/insect cell-expressed) converts the substrate 7-m...


Chem Biol Drug Des 88: 832-843 (2016)


Article DOI: 10.1111/cbdd.12812
BindingDB Entry DOI: 10.7270/Q2HM578V
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM202575
PNG
(2-[4-(1,2-Dihydro-1,5-dimethyl-2-phenyl-3-oxo-3H-p...)
Show SMILES Cc1c(C(=O)c2nn3c(nc(=O)c4ccccc34)s2)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C21H15N5O3S/c1-12-16(20(29)26(24(12)2)13-8-4-3-5-9-13)17(27)19-23-25-15-11-7-6-10-14(15)18(28)22-21(25)30-19/h3-11H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.90n/an/an/an/an/an/a



Yueyang Vocational Technical College



Assay Description
This fluorescence-based assay measures the rate at which recombinant human aromatase (baculovirus/insect cell-expressed) converts the substrate 7-m...


Chem Biol Drug Des 88: 832-843 (2016)


Article DOI: 10.1111/cbdd.12812
BindingDB Entry DOI: 10.7270/Q2HM578V
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM202574
PNG
(2-[4-(1,2-Dihydro-1,5-dimethyl-2-phenyl-3-oxo-3H-p...)
Show SMILES Cc1c(C(=O)c2nn3c(nc(=N)c4ccccc34)s2)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C21H16N6O2S/c1-12-16(20(29)27(25(12)2)13-8-4-3-5-9-13)17(28)19-24-26-15-11-7-6-10-14(15)18(22)23-21(26)30-19/h3-11,22H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.10n/an/an/an/an/an/a



Yueyang Vocational Technical College



Assay Description
This fluorescence-based assay measures the rate at which recombinant human aromatase (baculovirus/insect cell-expressed) converts the substrate 7-m...


Chem Biol Drug Des 88: 832-843 (2016)


Article DOI: 10.1111/cbdd.12812
BindingDB Entry DOI: 10.7270/Q2HM578V
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM202573
PNG
(4-[4-(1,2-Dihydro-1,5-dimethyl-2-phenyl-3-oxo-3H-p...)
Show SMILES Cc1c(C(=O)c2sc(=N)sc2Nc2ccccc2)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C21H18N4O2S2/c1-13-16(20(27)25(24(13)2)15-11-7-4-8-12-15)17(26)18-19(29-21(22)28-18)23-14-9-5-3-6-10-14/h3-12,22-23H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.60n/an/an/an/an/an/a



Yueyang Vocational Technical College



Assay Description
This fluorescence-based assay measures the rate at which recombinant human aromatase (baculovirus/insect cell-expressed) converts the substrate 7-m...


Chem Biol Drug Des 88: 832-843 (2016)


Article DOI: 10.1111/cbdd.12812
BindingDB Entry DOI: 10.7270/Q2HM578V
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM202572
PNG
(6-[4-(1,2-Dihydro-1,5-dimethyl-2-phenyl-3-oxo-3H-p...)
Show SMILES Cc1c(-c2csc(=N)o2)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C14H13N3O2S/c1-9-12(11-8-20-14(15)19-11)13(18)17(16(9)2)10-6-4-3-5-7-10/h3-8,15H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.40n/an/an/an/an/an/a



Yueyang Vocational Technical College



Assay Description
This fluorescence-based assay measures the rate at which recombinant human aromatase (baculovirus/insect cell-expressed) converts the substrate 7-m...


Chem Biol Drug Des 88: 832-843 (2016)


Article DOI: 10.1111/cbdd.12812
BindingDB Entry DOI: 10.7270/Q2HM578V
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM202571
PNG
(1,2-Dihydro-1,5-dimethyl-2-phenyl-4-thiocyanatoace...)
Show SMILES Cc1c(C(=O)CSC#N)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C14H13N3O2S/c1-10-13(12(18)8-20-9-15)14(19)17(16(10)2)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.70n/an/an/an/an/an/a



Yueyang Vocational Technical College



Assay Description
This fluorescence-based assay measures the rate at which recombinant human aromatase (baculovirus/insect cell-expressed) converts the substrate 7-m...


Chem Biol Drug Des 88: 832-843 (2016)


Article DOI: 10.1111/cbdd.12812
BindingDB Entry DOI: 10.7270/Q2HM578V
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%