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BDBM50273813 6-Isoquinolin-4-yl-3,4-dihydroquinolin-2(1H)-one::CHEMBL456390

SMILES: O=C1CCc2cc(ccc2N1)-c1cncc2ccccc12

InChI Key: InChIKey=TVVPAZUMRVMIFM-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 = 50273813   
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 1A


(Homo sapiens (human))
BDBM50273813
PNG
(6-Isoquinolin-4-yl-3,4-dihydroquinolin-2(1H)-one |...)
Show SMILES O=C1CCc2cc(ccc2N1)-c1cncc2ccccc12
Show InChI InChI=1S/C18H14N2O/c21-18-8-6-13-9-12(5-7-17(13)20-18)16-11-19-10-14-3-1-2-4-15(14)16/h1-5,7,9-11H,6,8H2,(H,20,21)
PDB
MMDB

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Article
PubMed
n/an/a>1.50E+5n/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 2B6


(Homo sapiens (Human))
BDBM50273813
PNG
(6-Isoquinolin-4-yl-3,4-dihydroquinolin-2(1H)-one |...)
Show SMILES O=C1CCc2cc(ccc2N1)-c1cncc2ccccc12
Show InChI InChI=1S/C18H14N2O/c21-18-8-6-13-9-12(5-7-17(13)20-18)16-11-19-10-14-3-1-2-4-15(14)16/h1-5,7,9-11H,6,8H2,(H,20,21)
PDB

KEGG

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



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2B6 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))
BDBM50273813
PNG
(6-Isoquinolin-4-yl-3,4-dihydroquinolin-2(1H)-one |...)
Show SMILES O=C1CCc2cc(ccc2N1)-c1cncc2ccccc12
Show InChI InChI=1S/C18H14N2O/c21-18-8-6-13-9-12(5-7-17(13)20-18)16-11-19-10-14-3-1-2-4-15(14)16/h1-5,7,9-11H,6,8H2,(H,20,21)
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Article
PubMed
n/an/a 2.90E+3n/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))
BDBM50273813
PNG
(6-Isoquinolin-4-yl-3,4-dihydroquinolin-2(1H)-one |...)
Show SMILES O=C1CCc2cc(ccc2N1)-c1cncc2ccccc12
Show InChI InChI=1S/C18H14N2O/c21-18-8-6-13-9-12(5-7-17(13)20-18)16-11-19-10-14-3-1-2-4-15(14)16/h1-5,7,9-11H,6,8H2,(H,20,21)
PDB

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Article
PubMed
n/an/a 33n/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))
BDBM50273813
PNG
(6-Isoquinolin-4-yl-3,4-dihydroquinolin-2(1H)-one |...)
Show SMILES O=C1CCc2cc(ccc2N1)-c1cncc2ccccc12
Show InChI InChI=1S/C18H14N2O/c21-18-8-6-13-9-12(5-7-17(13)20-18)16-11-19-10-14-3-1-2-4-15(14)16/h1-5,7,9-11H,6,8H2,(H,20,21)
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 5.00E+4n/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 11B2, mitochondrial


(Homo sapiens (human))
BDBM50273813
PNG
(6-Isoquinolin-4-yl-3,4-dihydroquinolin-2(1H)-one |...)
Show SMILES O=C1CCc2cc(ccc2N1)-c1cncc2ccccc12
Show InChI InChI=1S/C18H14N2O/c21-18-8-6-13-9-12(5-7-17(13)20-18)16-11-19-10-14-3-1-2-4-15(14)16/h1-5,7,9-11H,6,8H2,(H,20,21)
PDB

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Article
PubMed
n/an/a 0.200n/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 2C19


(Homo sapiens (human))
BDBM50273813
PNG
(6-Isoquinolin-4-yl-3,4-dihydroquinolin-2(1H)-one |...)
Show SMILES O=C1CCc2cc(ccc2N1)-c1cncc2ccccc12
Show InChI InChI=1S/C18H14N2O/c21-18-8-6-13-9-12(5-7-17(13)20-18)16-11-19-10-14-3-1-2-4-15(14)16/h1-5,7,9-11H,6,8H2,(H,20,21)
PDB
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UniChem

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Article
PubMed
n/an/a 9.20E+3n/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