BDBM50445330 CHEMBL3104243
SMILES: CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2)C(C)C
InChI Key: InChIKey=MXSUSAVIZSMZTP-OKLNXYDLSA-N
Data: 3 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 Alpha-3/Beta-4 (Rattus norvegicus (Rat)) | BDBM50445330 (CHEMBL3104243) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University Curated by ChEMBL | Assay Description Inhibition of rat alpha3beta4 nAChR expressed in Xenopus oocytes assessed as inhibition of ACh-induced current by voltage clamp electrophysiology met... | J Med Chem 56: 9655-63 (2014) Article DOI: 10.1021/jm401254c BindingDB Entry DOI: 10.7270/Q22Z171M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nicotinic acetylcholine receptor alpha6/alpha3/beta2/beta3 (Rattus norvegicus-Rattus norvegicus (Rat)) | BDBM50445330 (CHEMBL3104243) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University Curated by ChEMBL | Assay Description Inhibition of rat alpha6/alpha3beta2beta3 nAChR expressed in Xenopus oocytes assessed as inhibition of ACh-induced current by voltage clamp electroph... | J Med Chem 56: 9655-63 (2014) Article DOI: 10.1021/jm401254c BindingDB Entry DOI: 10.7270/Q22Z171M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nicotinic acetylcholine receptor alpha6/alpha3/beta4 (Rattus norvegicus-Rattus norvegicus (Rat)) | BDBM50445330 (CHEMBL3104243) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University Curated by ChEMBL | Assay Description Inhibition of rat alpha6/alpha3beta4 nAChR expressed in Xenopus oocytes assessed as inhibition of ACh-induced current by voltage clamp electrophysiol... | J Med Chem 56: 9655-63 (2014) Article DOI: 10.1021/jm401254c BindingDB Entry DOI: 10.7270/Q22Z171M | |||||||||||
More data for this Ligand-Target Pair |