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BDBM50122613 3,4-dihydroisoquinoline-2(1H)-carboximidamide::CHEMBL169901::Debrisochinum::Debrisoquin::Isocaramidine

SMILES: NC(=N)N1CCc2ccccc2C1

InChI Key: InChIKey=JWPGJSVJDAJRLW-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50122613   
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 2D18


(Rattus norvegicus)
BDBM50122613
PNG
(3,4-dihydroisoquinoline-2(1H)-carboximidamide | CH...)
Show SMILES NC(=N)N1CCc2ccccc2C1
Show InChI InChI=1S/C10H13N3/c11-10(12)13-6-5-8-3-1-2-4-9(8)7-13/h1-4H,5-7H2,(H3,11,12)
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PubMed
n/an/a 7.47E+5n/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Inhibition of MAMC O-dealkylation mediated by rat Cytochrome P450 2D4 expressed in Saccharomyces cerevisiae


J Med Chem 46: 74-86 (2002)

More data for this
Ligand-Target Pair
Cytochrome P450 2D2


(Rattus norvegicus)
BDBM50122613
PNG
(3,4-dihydroisoquinoline-2(1H)-carboximidamide | CH...)
Show SMILES NC(=N)N1CCc2ccccc2C1
Show InChI InChI=1S/C10H13N3/c11-10(12)13-6-5-8-3-1-2-4-9(8)7-13/h1-4H,5-7H2,(H3,11,12)
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PC sid
UniChem

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Article
PubMed
n/an/a 1.07E+5n/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Inhibition of MAMC O-dealkylation mediated by rat Cytochrome P450 2D2 expressed in Saccharomyces cerevisiae


J Med Chem 46: 74-86 (2002)

More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50122613
PNG
(3,4-dihydroisoquinoline-2(1H)-carboximidamide | CH...)
Show SMILES NC(=N)N1CCc2ccccc2C1
Show InChI InChI=1S/C10H13N3/c11-10(12)13-6-5-8-3-1-2-4-9(8)7-13/h1-4H,5-7H2,(H3,11,12)
UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/a 2.38E+4n/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Inhibition of MAMC O-dealkylation mediated by human Cytochrome P450 2D6 expressed in human lymphoblastoid cell line


J Med Chem 46: 74-86 (2002)

More data for this
Ligand-Target Pair
Cytochrome P450 2D3


(Rattus norvegicus)
BDBM50122613
PNG
(3,4-dihydroisoquinoline-2(1H)-carboximidamide | CH...)
Show SMILES NC(=N)N1CCc2ccccc2C1
Show InChI InChI=1S/C10H13N3/c11-10(12)13-6-5-8-3-1-2-4-9(8)7-13/h1-4H,5-7H2,(H3,11,12)
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UniChem

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Article
PubMed
n/an/a 1.75E+6n/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Inhibition of MAMC O-dealkylation mediated by rat Cytochrome P450 2D3 expressed in Saccharomyces cerevisiae


J Med Chem 46: 74-86 (2002)

More data for this
Ligand-Target Pair
Cytochrome P450 2D1


(Rattus norvegicus)
BDBM50122613
PNG
(3,4-dihydroisoquinoline-2(1H)-carboximidamide | CH...)
Show SMILES NC(=N)N1CCc2ccccc2C1
Show InChI InChI=1S/C10H13N3/c11-10(12)13-6-5-8-3-1-2-4-9(8)7-13/h1-4H,5-7H2,(H3,11,12)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 5.29E+5n/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Inhibition of MAMC O-dealkylation mediated by rat Cytochrome P450 2D1 expressed in Saccharomyces cerevisiae


J Med Chem 46: 74-86 (2002)

More data for this
Ligand-Target Pair