BDBM50237517 CHEMBL4078268::US10836758, Example 20
SMILES: N[C@H]1CC[C@@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1
InChI Key: InChIKey=UDLDRWWTJMCAEM-PHIMTYICSA-N
Data: 10 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human)) | BDBM50237517 (CHEMBL4078268 | US10836758, Example 20) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 9.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Curated by ChEMBL | Assay Description Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -120 mV holding potential measured a... | J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human)) | BDBM50237517 (CHEMBL4078268 | US10836758, Example 20) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Curated by ChEMBL | Assay Description Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -60 mV holding potential measured af... | J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human)) | BDBM50237517 (CHEMBL4078268 | US10836758, Example 20) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Curated by ChEMBL | Assay Description Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -70 mV holding potential measured af... | J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium channel protein type IX alpha subunit (Rattus norvegicus) | BDBM50237517 (CHEMBL4078268 | US10836758, Example 20) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Curated by ChEMBL | Assay Description Inhibition of Nav1.7 in C57BL/6 rat embryonic DRG cells assessed as blockade of spontaneous neuronal firing by Maestro microelectrode array analysis | J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human)) | BDBM50237517 (CHEMBL4078268 | US10836758, Example 20) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | US Patent | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
BRISTOL-MYERS SQUIBB COMPANY US Patent | Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2... | US Patent US10836758 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50237517 (CHEMBL4078268 | US10836758, Example 20) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Curated by ChEMBL | Assay Description Inhibition of human CYP3A4 assessed as inhibition of dealkylation | J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium channel protein type 9 subunit alpha (Mus musculus) | BDBM50237517 (CHEMBL4078268 | US10836758, Example 20) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Curated by ChEMBL | Assay Description Inhibition of Nav1.7 in C57BL/6 mouse DRG neurons assessed as reduction in native TTX-S current amplitude by manual patch clamp electrophysiology ass... | J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium channel protein type 9 subunit alpha (Mus musculus) | BDBM50237517 (CHEMBL4078268 | US10836758, Example 20) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Curated by ChEMBL | Assay Description Inhibition of recombinant mouse Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -70 mV holding potential measured af... | J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human)) | BDBM50237517 (CHEMBL4078268 | US10836758, Example 20) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Curated by ChEMBL | Assay Description Inhibition of recombinant human Nav1.5 expressed in HEK293 cells assessed as reduction in peak inward current at -50 mV holding potential measured af... | J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium channel protein type IX alpha subunit (Rattus norvegicus) | BDBM50237517 (CHEMBL4078268 | US10836758, Example 20) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Curated by ChEMBL | Assay Description Inhibition of rat Nav1.7 assessed as reduction in peak inward current at -70 mV holding potential measured after 600 secs by manual patch clamp elect... | J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69 | |||||||||||
More data for this Ligand-Target Pair |