BDBM50103595 Brumetadina::CHEBI:3699::CIMETIDINE::Cimetidine::Tagamet::Tagamet HB::Tagamet HB 200::Valmagen
SMILES: CN\C(NC#N)=N/CCSCc1nc[nH]c1C
InChI Key: InChIKey=AQIXAKUUQRKLND-UHFFFAOYSA-N
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 |
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Histamine H2 receptor (Cavia porcellus (domestic guinea pig)) | BDBM50103595 (Brumetadina | CHEBI:3699 | CIMETIDINE | Cimetidine...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | PubMed | 302 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Freie Universit£t Berlin Curated by ChEMBL | Assay Description Inhibition of [125I]APT binding to H2 receptors in guinea pig cerebral membranes. | J Med Chem 35: 2231-8 (1992) BindingDB Entry DOI: 10.7270/Q23T9JFP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier family 22 member 8 (Rattus norvegicus) | BDBM50103595 (Brumetadina | CHEBI:3699 | CIMETIDINE | Cimetidine...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | 4.68E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tokyo Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of PCG uptake in OAT3-expressing LLC-PK1 cells | Mol Pharmacol 61: 982-8 (2002) Article DOI: 10.1124/mol.61.5.982 BindingDB Entry DOI: 10.7270/Q2611364 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier family 22 member 1 (Homo sapiens (Human)) | BDBM50103595 (Brumetadina | CHEBI:3699 | CIMETIDINE | Cimetidine...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | PubMed | 1.66E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of TEA uptake in OCT1-expressing HeLa cells | J Pharmacol Exp Ther 286: 354-61 (1998) BindingDB Entry DOI: 10.7270/Q28P63DW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier family 22 member 6 (Rattus norvegicus) | BDBM50103595 (Brumetadina | CHEBI:3699 | CIMETIDINE | Cimetidine...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tokyo Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of PAH uptake in Oat1-expressing LLC-PK1 cells | Mol Pharmacol 61: 982-8 (2002) Article DOI: 10.1124/mol.61.5.982 BindingDB Entry DOI: 10.7270/Q2611364 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM50103595 (Brumetadina | CHEBI:3699 | CIMETIDINE | Cimetidine...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+6 | 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 | |||||||||||||
Multidrug resistance-associated protein 4 (Homo sapiens (Human)) | BDBM50103595 (Brumetadina | CHEBI:3699 | CIMETIDINE | Cimetidine...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Canalicular multispecific organic anion transporter 1 (Homo sapiens (Human)) | BDBM50103595 (Brumetadina | CHEBI:3699 | CIMETIDINE | Cimetidine...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Canalicular multispecific organic anion transporter 2 (Homo sapiens (Human)) | BDBM50103595 (Brumetadina | CHEBI:3699 | CIMETIDINE | Cimetidine...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier family 22 member 4 (Rattus norvegicus) | BDBM50103595 (Brumetadina | CHEBI:3699 | CIMETIDINE | Cimetidine...) | MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.50E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical College of Georgia Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of TEA uptake in Octn1-HRPE cells | Biochim Biophys Acta 1466: 315-27 (2000) Article DOI: 10.1016/s0005-2736(00)00189-9 BindingDB Entry DOI: 10.7270/Q2377CKS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H2 receptor (Homo sapiens (Human)) | BDBM50103595 (Brumetadina | CHEBI:3699 | CIMETIDINE | Cimetidine...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College Curated by ChEMBL | Assay Description Displacement of [125I]APT from human recombinant H2 receptor expressed in CHO cells measured after 120 mins by scintillation counting method | Bioorg Med Chem 25: 471-482 (2017) Article DOI: 10.1016/j.bmc.2016.11.014 BindingDB Entry DOI: 10.7270/Q2CF9S3S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H2 receptor (Cavia porcellus (domestic guinea pig)) | BDBM50103595 (Brumetadina | CHEBI:3699 | CIMETIDINE | Cimetidine...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Assay Description Histamine H2 receptor antagonistic activity | Citation and Details BindingDB Entry DOI: 10.7270/Q2XP773S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H2 receptor (Homo sapiens (Human)) | BDBM50103595 (Brumetadina | CHEBI:3699 | CIMETIDINE | Cimetidine...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College Curated by ChEMBL | Assay Description Displacement of [125I]APT from human recombinant histamine H2 receptor expressed in CHO cells | Bioorg Med Chem 24: 1793-810 (2016) BindingDB Entry DOI: 10.7270/Q2J67JS7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2J2 (Homo sapiens (Human)) | BDBM50103595 (Brumetadina | CHEBI:3699 | CIMETIDINE | Cimetidine...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tongji University Curated by ChEMBL | Assay Description Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS method | Drug Metab Dispos 41: 60-71 (2012) Article DOI: 10.1124/dmd.112.048264 BindingDB Entry DOI: 10.7270/Q2K0761G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM50103595 (Brumetadina | CHEBI:3699 | CIMETIDINE | Cimetidine...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair |