null
SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2
InChI Key: InChIKey=XYNXUMFICNCKEN-YYMPTMNFSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Rattus norvegicus (Rat)) | BDBM50459657 (CHEMBL4203617) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University Curated by ChEMBL | Assay Description Antagonist activity at rat alpha3beta4 nACHR expressed in Xenopus laevis oocytes assessed as inhibition of acetyl choline-induced membrane currents p... | J Med Chem 61: 9256-9265 (2018) Article DOI: 10.1021/acs.jmedchem.8b00967 BindingDB Entry DOI: 10.7270/Q2B27XWW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-4 (Rattus norvegicus (Rat)) | BDBM50459657 (CHEMBL4203617) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University Curated by ChEMBL | Assay Description Antagonist activity at rat alpha6/alpha3beta4 nAChR nACHR expressed in Xenopus laevis oocytes assessed as inhibition of acetyl choline-induced membra... | J Med Chem 61: 9256-9265 (2018) Article DOI: 10.1021/acs.jmedchem.8b00967 BindingDB Entry DOI: 10.7270/Q2B27XWW | |||||||||||
More data for this Ligand-Target Pair |