BDBM48076 3-amino-N-(2,3-difluorobenzyl)-4-methyl-6-(4-pyridylmethoxy)thieno[2,3-b]pyridine-2-carboxamide::3-amino-N-[(2,3-difluorophenyl)methyl]-4-methyl-6-(pyridin-4-ylmethoxy)-2-thieno[2,3-b]pyridinecarboxamide::3-amino-N-[(2,3-difluorophenyl)methyl]-4-methyl-6-(pyridin-4-ylmethoxy)thieno[2,3-b]pyridine-2-carboxamide::3-azanyl-N-[[2,3-bis(fluoranyl)phenyl]methyl]-4-methyl-6-(pyridin-4-ylmethoxy)thieno[2,3-b]pyridine-2-carboxamide::ML173::VU0359508::cid_45142486
SMILES: Cc1cc(OCc2ccncc2)nc2sc(C(=O)NCc3cccc(F)c3F)c(N)c12
InChI Key: InChIKey=WISIHNWJSXFHCG-UHFFFAOYSA-N
Data: 7 EC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Muscarinic acetylcholine receptor M4 (RAT) | BDBM48076 (3-amino-N-(2,3-difluorobenzyl)-4-methyl-6-(4-pyrid...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.61E+3 | n/a | n/a | n/a | n/a |
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay | Assay Description Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2251GKR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M4 (RAT) | BDBM48076 (3-amino-N-(2,3-difluorobenzyl)-4-methyl-6-(4-pyrid...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.67E+3 | n/a | n/a | n/a | n/a |
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay | Assay Description Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2XD103V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M4 (RAT) | BDBM48076 (3-amino-N-(2,3-difluorobenzyl)-4-methyl-6-(4-pyrid...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 95.3 | n/a | n/a | n/a | n/a |
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay | Assay Description Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q237775R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M4 (RAT) | BDBM48076 (3-amino-N-(2,3-difluorobenzyl)-4-methyl-6-(4-pyrid...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Positive allosteric modulation of rat M4 AchR | J Med Chem 62: 88-127 (2019) Article DOI: 10.1021/acs.jmedchem.8b00875 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M4 (RAT) | BDBM48076 (3-amino-N-(2,3-difluorobenzyl)-4-methyl-6-(4-pyrid...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 900 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center Curated by ChEMBL | Assay Description Positive allosteric modulation of rat muscarinic M4 receptor assessed as acetylcholine response | Bioorg Med Chem Lett 23: 346-50 (2012) Article DOI: 10.1016/j.bmcl.2012.10.073 BindingDB Entry DOI: 10.7270/Q2N29Z8S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M2 and M4 (Homo sapiens (Human)) | BDBM48076 (3-amino-N-(2,3-difluorobenzyl)-4-methyl-6-(4-pyrid...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 95 | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Positive allosteric modulation of human M4 AchR | J Med Chem 62: 88-127 (2019) Article DOI: 10.1021/acs.jmedchem.8b00875 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human)) | BDBM48076 (3-amino-N-(2,3-difluorobenzyl)-4-methyl-6-(4-pyrid...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 500 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center Curated by ChEMBL | Assay Description Positive allosteric modulation of human muscarinic M4 receptor expressed in CHO-K1 cells assessed as leftward shift in acetylcholine response treated... | Bioorg Med Chem Lett 23: 346-50 (2012) Article DOI: 10.1016/j.bmcl.2012.10.073 BindingDB Entry DOI: 10.7270/Q2N29Z8S | |||||||||||
More data for this Ligand-Target Pair |