BDBM50151218 CHEMBL2368392::difluoro(2-{[(2Z)-1-methyl-5-(2-{[2-(2-{2-[4-(2-oxo-2-{10-oxo-2,4,9-triazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl}ethyl)piperazin-1-yl]ethoxy}ethoxy)ethyl]carbamoyl}ethyl)-2H-pyrrol-1-ium-2-ylidene]methyl}-5-(thiophen-2-yl)-1H-pyrrol-1-yl)boranuide
SMILES: F[B-]1(F)n2c(ccc2-c2cccs2)C=C2C=CC(CCC(=O)NCCOCCOCCOCCOCCOCCOCCN3CCN(CC(=O)N4c5ccccc5C(=O)Nc5cccnc45)CC3)=[N+]12
InChI Key: InChIKey=DIZUUDTUHKHLCD-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human)) | BDBM50151218![]() (CHEMBL2368392 | difluoro(2-{[(2Z)-1-methyl-5-(2-{[...) | UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 8.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UMR CNRS/ULP 7081 Curated by ChEMBL | Assay Description Inhibition of [3H]QNB binding to human muscarinic receptor M1 | J Med Chem 47: 4300-15 (2004) Article DOI: 10.1021/jm040800a BindingDB Entry DOI: 10.7270/Q2T43TVQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human)) | BDBM50151218![]() (CHEMBL2368392 | difluoro(2-{[(2Z)-1-methyl-5-(2-{[...) | UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a |
UMR CNRS/ULP 7081 Curated by ChEMBL | Assay Description Apparent dissociation constant for human muscarinic receptor M1 from FRET based binding assay | J Med Chem 47: 4300-15 (2004) Article DOI: 10.1021/jm040800a BindingDB Entry DOI: 10.7270/Q2T43TVQ | |||||||||||
More data for this Ligand-Target Pair |