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

SMILES: NC(=N)N1CCc2ccccc2C1

InChI Key: InChIKey=JWPGJSVJDAJRLW-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50122613   

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...) 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)	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...) 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)	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...) 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 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...) 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)	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...) 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 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...) 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)	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