BDBM50170585 (3S)-3-amino-4-[(2S)-2-{[(1R)-1-{[(1R)-1-{[(1S)-1-{[(2S)-3-carbamoyl-1-[(2S)-2-{[(1S)-1-{[(1R)-1-{[(1S,2R)-1-{[(1S)-1-{[(1S)-1-{[(2S)-3-carbamoyl-1-[(2S)-2-{[(1S)-3-carbamoyl-1-{[(1S,2S)-1-{[(1R)-1-carbamoyl-2-sulfanylethyl]carbamoyl}-2-methylbutyl]carbamoyl}propyl]carbamoyl}pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-2-methylpropyl]carbamoyl}pyrrolidin-1-yl]-1-oxopropan-2-yl]car::CHEMBL406906
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(O)=O)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CS)C(N)=O
InChI Key: InChIKey=BGMUZBOFMKWKCS-AUGUZLKCSA-N
Data: 1 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Neuronal acetylcholine receptor protein beta-2 subunit/protein beta-3 subunit/subunit alpha-3/subunit alpha-6 (Homo sapiens (Human)) | BDBM50170585 ((3S)-3-amino-4-[(2S)-2-{[(1R)-1-{[(1R)-1-{[(1S)-1-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
The Danish University of Pharmaceutical Sciences Curated by ChEMBL | Assay Description Inhibitory concentration against Nicotinic acetylcholine receptor alpha-6-alpha-3-beta-2-beta-3; Range is 0.7-1 nM | J Med Chem 48: 4705-45 (2005) Article DOI: 10.1021/jm040219e BindingDB Entry DOI: 10.7270/Q29W0G79 | |||||||||||
More data for this Ligand-Target Pair |