null
SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC1=O)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N3)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC2=O)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H](O)C[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O)NC(=O)CN
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sodium channel protein type 1 subunit alpha (Homo sapiens (Human)) | BDBM50582056 (CHEMBL5091623) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | 126 | n/a | n/a | n/a | n/a |
TBA | Assay Description Modulator activity at human Nav1.1 expressed in Xenopus laevis oocytes assessed as elicitation in sodium current measured after 1 to 4 days by two-el... | Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00104 BindingDB Entry DOI: 10.7270/Q29K4G3X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium channel protein type 2 subunit alpha (Rattus norvegicus) | BDBM50582056 (CHEMBL5091623) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | 138 | n/a | n/a | n/a | n/a |
TBA | Assay Description Modulator activity at rat Nav1.2 expressed in Xenopus laevis oocytes assessed as elicitation in sodium current measured after 1 to 4 days by two-elec... | Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00104 BindingDB Entry DOI: 10.7270/Q29K4G3X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium channel protein type 3 subunit alpha (Rattus norvegicus) | BDBM50582056 (CHEMBL5091623) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | 139 | n/a | n/a | n/a | n/a |
TBA | Assay Description Modulator activity at rat Nav1.3 expressed in Xenopus laevis oocytes assessed as elicitation in sodium current measured after 1 to 4 days by two-elec... | Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00104 BindingDB Entry DOI: 10.7270/Q29K4G3X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human)) | BDBM50582056 (CHEMBL5091623) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | 102 | n/a | n/a | n/a | n/a |
TBA | Assay Description Modulator activity at human Nav1.7 expressed in Xenopus laevis oocytes assessed as elicitation in sodium current measured after 1 to 4 days by two-el... | Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00104 BindingDB Entry DOI: 10.7270/Q29K4G3X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human)) | BDBM50582056 (CHEMBL5091623) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | 108 | n/a | n/a | n/a | n/a |
TBA | Assay Description Modulator activity at human Nav1.5 expressed in Xenopus laevis oocytes assessed as elicitation in sodium current measured after 1 to 4 days by two-el... | Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00104 BindingDB Entry DOI: 10.7270/Q29K4G3X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium channel protein type 8 subunit alpha (Mus musculus) | BDBM50582056 (CHEMBL5091623) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | 93 | n/a | n/a | n/a | n/a |
TBA | Assay Description Modulator activity at mouse Nav1.6 expressed in Xenopus laevis oocytes assessed as elicitation in sodium current measured after 1 to 4 days by two-el... | Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00104 BindingDB Entry DOI: 10.7270/Q29K4G3X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium channel protein type 4 subunit alpha (Rattus norvegicus (Rat)) | BDBM50582056 (CHEMBL5091623) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | 150 | n/a | n/a | n/a | n/a |
TBA | Assay Description Modulator activity at rat Nav1.4 expressed in Xenopus laevis oocytes assessed as elicitation in sodium current measured after 1 to 4 days by two-elec... | Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00104 BindingDB Entry DOI: 10.7270/Q29K4G3X | |||||||||||
More data for this Ligand-Target Pair |