BindingDB logo
myBDB logout

PubMed code 1825337

Compile data set for download or QSAR
Found 22 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))
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
1n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Aromatase inhibitor potency as iron-binding-related type II difference spectrum


J Med Chem 34: 725-36 (1991)


Article DOI: 10.1021/jm00106a038
BindingDB Entry DOI: 10.7270/Q2SB46BP
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
1.5n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Aromatase inhibitor potency as iron-binding-related type II difference spectrum


J Med Chem 34: 725-36 (1991)


Article DOI: 10.1021/jm00106a038
BindingDB Entry DOI: 10.7270/Q2SB46BP
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
470n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Competitive inhibition of human placental Cytochrome P450 19A1


J Med Chem 34: 725-36 (1991)


Article DOI: 10.1021/jm00106a038
BindingDB Entry DOI: 10.7270/Q2SB46BP
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.0300n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of estrogen production in hamster ovarian tissue


J Med Chem 34: 725-36 (1991)


Article DOI: 10.1021/jm00106a038
BindingDB Entry DOI: 10.7270/Q2SB46BP
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50368174
PNG
(CHEMBL1203762)
Show SMILES N#Cc1ccc(cc1)C1CCc2cncn12
Show InChI InChI=1S/C13H11N3/c14-7-10-1-3-11(4-2-10)13-6-5-12-8-15-9-16(12)13/h1-4,8-9,13H,5-6H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1


J Med Chem 34: 725-36 (1991)


Article DOI: 10.1021/jm00106a038
BindingDB Entry DOI: 10.7270/Q2SB46BP
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.60n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1


J Med Chem 34: 725-36 (1991)


Article DOI: 10.1021/jm00106a038
BindingDB Entry DOI: 10.7270/Q2SB46BP
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 6.40n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1


J Med Chem 34: 725-36 (1991)


Article DOI: 10.1021/jm00106a038
BindingDB Entry DOI: 10.7270/Q2SB46BP
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50368173
PNG
(CHEMBL1203766)
Show SMILES Brc1ccc(cc1)C1CCCc2cncn12
Show InChI InChI=1S/C13H13BrN2/c14-11-6-4-10(5-7-11)13-3-1-2-12-8-15-9-16(12)13/h4-9,13H,1-3H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 7.60n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1


J Med Chem 34: 725-36 (1991)


Article DOI: 10.1021/jm00106a038
BindingDB Entry DOI: 10.7270/Q2SB46BP
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50008726
PNG
(CHEMBL348913 | [4-(5,6,7,8-Tetrahydro-imidazo[1,5-...)
Show SMILES OCc1ccc(cc1)C1CCCc2cncn12
Show InChI InChI=1S/C14H16N2O/c17-9-11-4-6-12(7-5-11)14-3-1-2-13-8-15-10-16(13)14/h4-8,10,14,17H,1-3,9H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 14n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1


J Med Chem 34: 725-36 (1991)


Article DOI: 10.1021/jm00106a038
BindingDB Entry DOI: 10.7270/Q2SB46BP
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50008725
PNG
(4-(6,7,8,9-Tetrahydro-5H-imidazo[1,5-a]azepin-5-yl...)
Show SMILES N#Cc1ccc(cc1)C1CCCCc2cncn12
Show InChI InChI=1S/C15H15N3/c16-9-12-5-7-13(8-6-12)15-4-2-1-3-14-10-17-11-18(14)15/h5-8,10-11,15H,1-4H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 14n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1


J Med Chem 34: 725-36 (1991)


Article DOI: 10.1021/jm00106a038
BindingDB Entry DOI: 10.7270/Q2SB46BP
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50008729
PNG
(1-(4-Cyanobenzyl)-5-methyl-1H-imidazole | 4-(5-Met...)
Show SMILES Cc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C12H11N3/c1-10-7-14-9-15(10)8-12-4-2-11(6-13)3-5-12/h2-5,7,9H,8H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1


J Med Chem 34: 725-36 (1991)


Article DOI: 10.1021/jm00106a038
BindingDB Entry DOI: 10.7270/Q2SB46BP
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50008733
PNG
(1-(4-Cyanobenzyl)-1H-imidazole | 4-((1H-imidazol-1...)
Show SMILES N#Cc1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C11H9N3/c12-7-10-1-3-11(4-2-10)8-14-6-5-13-9-14/h1-6,9H,8H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1


J Med Chem 34: 725-36 (1991)


Article DOI: 10.1021/jm00106a038
BindingDB Entry DOI: 10.7270/Q2SB46BP
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50368172
PNG
(CHEMBL1203757)
Show SMILES Cc1ccc(cc1)C1CCCc2cncn12
Show InChI InChI=1S/C14H16N2/c1-11-5-7-12(8-6-11)14-4-2-3-13-9-15-10-16(13)14/h5-10,14H,2-4H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1


J Med Chem 34: 725-36 (1991)


Article DOI: 10.1021/jm00106a038
BindingDB Entry DOI: 10.7270/Q2SB46BP
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50368175
PNG
(CHEMBL1203760)
Show SMILES CCOC(=O)c1ccc(cc1)C1CCCc2cncn12
Show InChI InChI=1S/C16H18N2O2/c1-2-20-16(19)13-8-6-12(7-9-13)15-5-3-4-14-10-17-11-18(14)15/h6-11,15H,2-5H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 21n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1


J Med Chem 34: 725-36 (1991)


Article DOI: 10.1021/jm00106a038
BindingDB Entry DOI: 10.7270/Q2SB46BP
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 39n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1


J Med Chem 34: 725-36 (1991)


Article DOI: 10.1021/jm00106a038
BindingDB Entry DOI: 10.7270/Q2SB46BP
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50008724
PNG
(4-(5,6,7,8-Tetrahydro-imidazo[1,5-a]pyridin-5-yl)-...)
Show SMILES N#CCCCC1CCCc2cncn12
Show InChI InChI=1S/C11H15N3/c12-7-2-1-4-10-5-3-6-11-8-13-9-14(10)11/h8-10H,1-6H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 93n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1


J Med Chem 34: 725-36 (1991)


Article DOI: 10.1021/jm00106a038
BindingDB Entry DOI: 10.7270/Q2SB46BP
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50008730
PNG
(4-(5,6,7,8-Tetrahydro-imidazo[1,5-a]pyridin-5-yl)-...)
Show SMILES OC(=O)c1ccc(cc1)C1CCCc2cncn12
Show InChI InChI=1S/C14H14N2O2/c17-14(18)11-6-4-10(5-7-11)13-3-1-2-12-8-15-9-16(12)13/h4-9,13H,1-3H2,(H,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1


J Med Chem 34: 725-36 (1991)


Article DOI: 10.1021/jm00106a038
BindingDB Entry DOI: 10.7270/Q2SB46BP
More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Rattus norvegicus)
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
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibition of ACTH-stimulated aldosterone production in rat adrenal tissue


J Med Chem 34: 725-36 (1991)


Article DOI: 10.1021/jm00106a038
BindingDB Entry DOI: 10.7270/Q2SB46BP
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
n/an/a 1.70E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome cytochrome P450 19A1


J Med Chem 34: 725-36 (1991)


Article DOI: 10.1021/jm00106a038
BindingDB Entry DOI: 10.7270/Q2SB46BP
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
n/an/a 3.00E+4n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of estrogen production in hamster ovarian tissue


J Med Chem 34: 725-36 (1991)


Article DOI: 10.1021/jm00106a038
BindingDB Entry DOI: 10.7270/Q2SB46BP
More data for this
Ligand-Target Pair
Cytochrome P450 11A1


(Homo sapiens)
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
n/an/a 8.00E+4n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of progesterone production in hamster ovarian tissue


J Med Chem 34: 725-36 (1991)


Article DOI: 10.1021/jm00106a038
BindingDB Entry DOI: 10.7270/Q2SB46BP
More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Rattus norvegicus)
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
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibition of ACTH-stimulated corticosterone production in rat adrenal tissue


J Med Chem 34: 725-36 (1991)


Article DOI: 10.1021/jm00106a038
BindingDB Entry DOI: 10.7270/Q2SB46BP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%