null
SMILES: [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CSSC[C@@H]3NC(=O)[C@H](CO)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4c[nH]cn4)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](C)NC3=O)C(=O)N1)NC(=O)[C@H](C)NC2=O
InChI Key:
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-2 (Rattus norvegicus (Rat)) | BDBM50547501 (CHEMBL4788244) | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of rat alpha3beta2 expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced channel current response at -70 mV ... | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00957 BindingDB Entry DOI: 10.7270/Q27S7SCT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholine receptor subunit gamma (Rattus norvegicus) | BDBM50547501 (CHEMBL4788244) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of rat (alpha1)2betagammadelta expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced channel current respons... | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00957 BindingDB Entry DOI: 10.7270/Q27S7SCT | |||||||||||
More data for this Ligand-Target Pair |