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BDBM50273703 6-Pyridin-3-yl-3,4-dihydronaphthalen-2(1H)-one::CHEMBL462093

SMILES: O=C1CCc2cc(ccc2C1)-c1cccnc1

InChI Key: InChIKey=XMIVJNDWTQQRAQ-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50273703   
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 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50273703
PNG
(6-Pyridin-3-yl-3,4-dihydronaphthalen-2(1H)-one | C...)
Show SMILES O=C1CCc2cc(ccc2C1)-c1cccnc1
Show InChI InChI=1S/C15H13NO/c17-15-6-5-11-8-12(3-4-13(11)9-15)14-2-1-7-16-10-14/h1-4,7-8,10H,5-6,9H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.80n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells


J Med Chem 51: 8077-87 (2008)


Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50273703
PNG
(6-Pyridin-3-yl-3,4-dihydronaphthalen-2(1H)-one | C...)
Show SMILES O=C1CCc2cc(ccc2C1)-c1cccnc1
Show InChI InChI=1S/C15H13NO/c17-15-6-5-11-8-12(3-4-13(11)9-15)14-2-1-7-16-10-14/h1-4,7-8,10H,5-6,9H2
PDB
MMDB

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Article
PubMed
n/an/a 1.55E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP1A2 expressed in baculovirus-infected insect microsomes


J Med Chem 51: 8077-87 (2008)


Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50273703
PNG
(6-Pyridin-3-yl-3,4-dihydronaphthalen-2(1H)-one | C...)
Show SMILES O=C1CCc2cc(ccc2C1)-c1cccnc1
Show InChI InChI=1S/C15H13NO/c17-15-6-5-11-8-12(3-4-13(11)9-15)14-2-1-7-16-10-14/h1-4,7-8,10H,5-6,9H2
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n/an/a 2.83E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C9 expressed in baculovirus-infected insect microsomes


J Med Chem 51: 8077-87 (2008)


Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50273703
PNG
(6-Pyridin-3-yl-3,4-dihydronaphthalen-2(1H)-one | C...)
Show SMILES O=C1CCc2cc(ccc2C1)-c1cccnc1
Show InChI InChI=1S/C15H13NO/c17-15-6-5-11-8-12(3-4-13(11)9-15)14-2-1-7-16-10-14/h1-4,7-8,10H,5-6,9H2
PDB

KEGG

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UniChem

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Article
PubMed
n/an/a 3.96E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells


J Med Chem 51: 8077-87 (2008)


Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50273703
PNG
(6-Pyridin-3-yl-3,4-dihydronaphthalen-2(1H)-one | C...)
Show SMILES O=C1CCc2cc(ccc2C1)-c1cccnc1
Show InChI InChI=1S/C15H13NO/c17-15-6-5-11-8-12(3-4-13(11)9-15)14-2-1-7-16-10-14/h1-4,7-8,10H,5-6,9H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.71E+5n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2D6 expressed in baculovirus-infected insect microsomes


J Med Chem 51: 8077-87 (2008)


Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50273703
PNG
(6-Pyridin-3-yl-3,4-dihydronaphthalen-2(1H)-one | C...)
Show SMILES O=C1CCc2cc(ccc2C1)-c1cccnc1
Show InChI InChI=1S/C15H13NO/c17-15-6-5-11-8-12(3-4-13(11)9-15)14-2-1-7-16-10-14/h1-4,7-8,10H,5-6,9H2
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Article
PubMed
n/an/a 6.21E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 expressed in baculovirus-infected insect microsomes


J Med Chem 51: 8077-87 (2008)


Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50273703
PNG
(6-Pyridin-3-yl-3,4-dihydronaphthalen-2(1H)-one | C...)
Show SMILES O=C1CCc2cc(ccc2C1)-c1cccnc1
Show InChI InChI=1S/C15H13NO/c17-15-6-5-11-8-12(3-4-13(11)9-15)14-2-1-7-16-10-14/h1-4,7-8,10H,5-6,9H2
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Article
PubMed
n/an/a 4.15E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C19 expressed in baculovirus-infected insect microsomes


J Med Chem 51: 8077-87 (2008)


Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008
More data for this
Ligand-Target Pair