null
SMILES: CNC(NCCSCc1[nH]cnc1C)=NC#N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50403559 (Brumetadina | CIMETIDINE) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | 7.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd. Curated by ChEMBL | Assay Description Mechanism based inhibition of human cytochrome P450 2D6 measured by dextromethorphan O-demethylation | Curr Drug Metab 6: 413-54 (2005) BindingDB Entry DOI: 10.7270/Q2VQ33X3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ATP-dependent translocase ABCB1 (Homo sapiens (Human)) | BDBM50403559 (Brumetadina | CIMETIDINE) | PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-LaRoche Ltd. Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of Calcein-AM efflux in MDR1-expressing LLC-PK1 cells | J Med Chem 46: 1716-25 (2003) Article DOI: 10.1021/jm021012t BindingDB Entry DOI: 10.7270/Q2ZS2X8R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H2 receptor (Homo sapiens (Human)) | BDBM50403559 (Brumetadina | CIMETIDINE) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri Curated by ChEMBL | Assay Description Displacement of [3H]Cimetidine from histamine H2 receptor (unknown origin) | Bioorg Med Chem Lett 24: 576-9 (2014) Article DOI: 10.1016/j.bmcl.2013.12.024 BindingDB Entry DOI: 10.7270/Q2MS3V7R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H2 receptor (Homo sapiens (Human)) | BDBM50403559 (Brumetadina | CIMETIDINE) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Organic Synthesis Curated by ChEMBL | Assay Description Binding affinity to human histamine H2 receptor by radioligand displacement assay | Bioorg Med Chem 21: 2764-71 (2013) Article DOI: 10.1016/j.bmc.2013.03.016 BindingDB Entry DOI: 10.7270/Q2N87C5Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier family 22 member 1 (RAT) | BDBM50403559 (Brumetadina | CIMETIDINE) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University Hospital Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of TEA uptake (basolateral to cell) in OCT1-expressing MDCK cells | J Pharmacol Exp Ther 287: 800-5 (1998) BindingDB Entry DOI: 10.7270/Q2D79CQ4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier family 22 member 2 (RAT) | BDBM50403559 (Brumetadina | CIMETIDINE) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | 9.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University Hospital Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of TEA uptake (basolateral to cell) in OCT2-expressing MDCK cells | J Pharmacol Exp Ther 287: 800-5 (1998) BindingDB Entry DOI: 10.7270/Q2D79CQ4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier family 22 member 2 (RAT) | BDBM50403559 (Brumetadina | CIMETIDINE) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | 1.98E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Texas M. D. Anderson Cancer Center Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of TEA uptake (apical to cell) in OCT2-expressing NIH3T3 cells | Toxicol Sci 47: 181-6 (1999) BindingDB Entry DOI: 10.7270/Q2F1910T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier family 22 member 1 (Mus musculus) | BDBM50403559 (Brumetadina | CIMETIDINE) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 590 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyushu University Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 1 uM) in Xenopus laevis oocytes | Biochem Biophys Res Commun 296: 644-50 (2002) BindingDB Entry DOI: 10.7270/Q2P84D6R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier family 22 member 2 (Mus musculus) | BDBM50403559 (Brumetadina | CIMETIDINE) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyushu University Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 1 uM) in Xenopus laevis oocytes | Biochem Biophys Res Commun 296: 644-50 (2002) BindingDB Entry DOI: 10.7270/Q2P84D6R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier family 22 member 2 (RAT) | BDBM50403559 (Brumetadina | CIMETIDINE) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.73E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University Hospital Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of TEA uptake (TEA: 100 uM) in Xenopus laevis oocytes | Biochim Biophys Acta 1417: 224-31 (1999) BindingDB Entry DOI: 10.7270/Q2WS8VJ5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier family 22 member 1 (RAT) | BDBM50403559 (Brumetadina | CIMETIDINE) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.29E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University Hospital Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of TEA uptake (TEA: 100 uM) in Xenopus laevis oocytes | Biochim Biophys Acta 1417: 224-31 (1999) BindingDB Entry DOI: 10.7270/Q2WS8VJ5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug and toxin extrusion protein 1 (Homo sapiens (Human)) | BDBM50403559 (Brumetadina | CIMETIDINE) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay | J Med Chem 56: 781-95 (2013) Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H2 receptor (Homo sapiens (Human)) | BDBM50403559 (Brumetadina | CIMETIDINE) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena Curated by ChEMBL | Assay Description Binding affinity to human histamine H2 receptor by radioligand displacement assay | Eur J Med Chem 63: 85-94 (2013) Article DOI: 10.1016/j.ejmech.2013.01.044 BindingDB Entry DOI: 10.7270/Q2JH3NKC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H2 receptor (Homo sapiens (Human)) | BDBM50403559 (Brumetadina | CIMETIDINE) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena Curated by ChEMBL | Assay Description Binding affinity to human histamine H2 receptor by radioligand displacement assay | Eur J Med Chem 63: 85-94 (2013) Article DOI: 10.1016/j.ejmech.2013.01.044 BindingDB Entry DOI: 10.7270/Q2JH3NKC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H2 receptor (Cavia porcellus (domestic guinea pig)) | BDBM50403559 (Brumetadina | CIMETIDINE) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | 501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description In vitro inhibition of Histamine H2 receptor by measuring its ability to block the histamine-stimulated adenylate cyclase of guinea pig hippocampal h... | J Med Chem 25: 207-10 (1982) BindingDB Entry DOI: 10.7270/Q2HH6M8R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H2 receptor (Cavia porcellus (domestic guinea pig)) | BDBM50403559 (Brumetadina | CIMETIDINE) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | 501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Evaluated in vitro for Histamine H2 receptor inhibition using the dimaprit stimulated chronotropic response of the guinea pig atrium | J Med Chem 26: 140-4 (1983) BindingDB Entry DOI: 10.7270/Q2R212KZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H2 receptor (Homo sapiens (Human)) | BDBM50403559 (Brumetadina | CIMETIDINE) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 71 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri Curated by ChEMBL | Assay Description Displacement of [3H]Cimetidine from histamine H2 receptor (unknown origin) | Bioorg Med Chem Lett 24: 576-9 (2014) Article DOI: 10.1016/j.bmcl.2013.12.024 BindingDB Entry DOI: 10.7270/Q2MS3V7R | |||||||||||
More data for this Ligand-Target Pair |