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BDBM8908 3-(6-Ethoxy-2-naphthyl)pyridine::3-(6-ethoxynaphthalen-2-yl)pyridine::Pyridine-substituted naphthalene 5::US9271963, 5

SMILES: CCOc1ccc2cc(ccc2c1)-c1cccnc1

InChI Key: InChIKey=CQLHDOYGDGBDQA-UHFFFAOYSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 8908   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM8908
PNG
(3-(6-Ethoxy-2-naphthyl)pyridine | 3-(6-ethoxynapht...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C17H15NO/c1-2-19-17-8-7-13-10-14(5-6-15(13)11-17)16-4-3-9-18-12-16/h3-12H,2H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.42E+3n/an/an/an/a7.437



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


J Med Chem 48: 6632-42 (2005)


Article DOI: 10.1021/jm0503704
BindingDB Entry DOI: 10.7270/Q2H41PNT
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM8908
PNG
(3-(6-Ethoxy-2-naphthyl)pyridine | 3-(6-ethoxynapht...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C17H15NO/c1-2-19-17-8-7-13-10-14(5-6-15(13)11-17)16-4-3-9-18-12-16/h3-12H,2H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

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



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


J Med Chem 48: 6632-42 (2005)


Article DOI: 10.1021/jm0503704
BindingDB Entry DOI: 10.7270/Q2H41PNT
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM8908
PNG
(3-(6-Ethoxy-2-naphthyl)pyridine | 3-(6-ethoxynapht...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C17H15NO/c1-2-19-17-8-7-13-10-14(5-6-15(13)11-17)16-4-3-9-18-12-16/h3-12H,2H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 6.64E+3n/an/an/an/a7.4n/a



Universitat des Saarlandes

US Patent


Assay Description
The enzyme was obtained from the microsome fraction of fresh human placenta (St. Josephs Krankenhaus, Saarbrucken-Dudweiler, Germany) according to th...


US Patent US9271963 (2016)


BindingDB Entry DOI: 10.7270/Q2445KBN
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM8908
PNG
(3-(6-Ethoxy-2-naphthyl)pyridine | 3-(6-ethoxynapht...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C17H15NO/c1-2-19-17-8-7-13-10-14(5-6-15(13)11-17)16-4-3-9-18-12-16/h3-12H,2H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 883n/an/an/an/an/a37



Universitat des Saarlandes

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


US Patent US9271963 (2016)


BindingDB Entry DOI: 10.7270/Q2445KBN
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM8908
PNG
(3-(6-Ethoxy-2-naphthyl)pyridine | 3-(6-ethoxynapht...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C17H15NO/c1-2-19-17-8-7-13-10-14(5-6-15(13)11-17)16-4-3-9-18-12-16/h3-12H,2H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 12n/an/an/an/an/a37



Universitat des Saarlandes

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


US Patent US9271963 (2016)


BindingDB Entry DOI: 10.7270/Q2445KBN
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM8908
PNG
(3-(6-Ethoxy-2-naphthyl)pyridine | 3-(6-ethoxynapht...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C17H15NO/c1-2-19-17-8-7-13-10-14(5-6-15(13)11-17)16-4-3-9-18-12-16/h3-12H,2H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.64E+3n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...


J Med Chem 48: 6632-42 (2005)


Article DOI: 10.1021/jm0503704
BindingDB Entry DOI: 10.7270/Q2H41PNT
More data for this
Ligand-Target Pair