BDBM50122613 3,4-dihydroisoquinoline-2(1H)-carboximidamide::CHEMBL169901::Debrisochinum::Debrisoquin::Isocaramidine
SMILES: NC(=N)N1CCc2ccccc2C1
InChI Key: InChIKey=JWPGJSVJDAJRLW-UHFFFAOYSA-N
Data: 6 IC50
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cytochrome P450 2D18 (Rattus norvegicus) | BDBM50122613 (3,4-dihydroisoquinoline-2(1H)-carboximidamide | CH...) | GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 7.47E+5 | n/a | n/a | n/a | n/a | n/a | n/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 | |||||||||||||
Cytochrome P450 2D2 (Rattus norvegicus) | BDBM50122613 (3,4-dihydroisoquinoline-2(1H)-carboximidamide | CH...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 1.07E+5 | n/a | n/a | n/a | n/a | n/a | n/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 | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM50122613 (3,4-dihydroisoquinoline-2(1H)-carboximidamide | CH...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | >9.52E+5 | n/a | n/a | n/a | n/a | n/a | n/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 (3,4-dihydroisoquinoline-2(1H)-carboximidamide | CH...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 1.75E+6 | n/a | n/a | n/a | n/a | n/a | n/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 | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50122613 (3,4-dihydroisoquinoline-2(1H)-carboximidamide | CH...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 2.38E+4 | n/a | n/a | n/a | n/a | n/a | n/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 | |||||||||||||
Cytochrome P450 2D1 (Rattus norvegicus) | BDBM50122613 (3,4-dihydroisoquinoline-2(1H)-carboximidamide | CH...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 5.29E+5 | n/a | n/a | n/a | n/a | n/a | n/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 |