Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 347.3 BDBM48054

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Muscarinic acetylcholine receptor M4 (RAT)	BDBM48054 (3-amino-N-(2,5-difluorobenzyl)-4,6-dimethyl-thieno...) Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1cc(F)ccc1F Show InChI InChI=1S/C17H15F2N3OS/c1-8-5-9(2)22-17-13(8)14(20)15(24-17)16(23)21-7-10-6-11(18)3-4-12(10)19/h3-6H,7,20H2,1-2H3,(H,21,23)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	0.00100	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 (Homo sapiens (Human))	BDBM48054 (3-amino-N-(2,5-difluorobenzyl)-4,6-dimethyl-thieno...) Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1cc(F)ccc1F Show InChI InChI=1S/C17H15F2N3OS/c1-8-5-9(2)22-17-13(8)14(20)15(24-17)16(23)21-7-10-6-11(18)3-4-12(10)19/h3-6H,7,20H2,1-2H3,(H,21,23)	PDB 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	132	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Positive allosteric modulation of human muscarinic M4 receptor expressed in CHO Flp-In cells assessed as stimulation of acetylcholine-induced ERK1/2 ...				J Med Chem 56: 8196-200 (2013) Article DOI: 10.1021/jm401032k BindingDB Entry DOI: 10.7270/Q2HT2S8D
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM48054 (3-amino-N-(2,5-difluorobenzyl)-4,6-dimethyl-thieno...) Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1cc(F)ccc1F Show InChI InChI=1S/C17H15F2N3OS/c1-8-5-9(2)22-17-13(8)14(20)15(24-17)16(23)21-7-10-6-11(18)3-4-12(10)19/h3-6H,7,20H2,1-2H3,(H,21,23)	PDB 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	130	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Positive allosteric modulation of human muscarinic M4 receptor expressed in CHO Flp-In cells assessed as stimulation of acetylcholine-induced ERK1/2 ...				J Med Chem 56: 8196-200 (2013) Article DOI: 10.1021/jm401032k BindingDB Entry DOI: 10.7270/Q2HT2S8D
					More data for this Ligand-Target Pair