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Compile Data Set for Download or QSAR

Found 8 hits of ic50 for monomerid = 50122613   
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
Transmembrane protease serine 2


(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)
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n/an/a 2.30E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 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)
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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)


Article DOI: 10.1021/jm0209578
BindingDB Entry DOI: 10.7270/Q2K64JSD
More data for this
Ligand-Target Pair
Transmembrane protease serine 2


(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)
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n/an/a 7.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2D26


(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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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)


Article DOI: 10.1021/jm0209578
BindingDB Entry DOI: 10.7270/Q2K64JSD
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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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)


Article DOI: 10.1021/jm0209578
BindingDB Entry DOI: 10.7270/Q2K64JSD
More data for this
Ligand-Target Pair
Cytochrome P450 2D4


(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)


Article DOI: 10.1021/jm0209578
BindingDB Entry DOI: 10.7270/Q2K64JSD
More data for this
Ligand-Target Pair
Bile salt export pump


(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)
PDB

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antibodypedia
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Article
PubMed
n/an/a>9.52E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...


Drug Metab Dispos 40: 2332-41 (2012)


Article DOI: 10.1124/dmd.112.047068
BindingDB Entry DOI: 10.7270/Q2ZP488M
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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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)


Article DOI: 10.1021/jm0209578
BindingDB Entry DOI: 10.7270/Q2K64JSD
More data for this
Ligand-Target Pair