BDBM50099567 (3S,4R)-Ethanesulfonic acid (6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-methyl-amide::CHEMBL44297::Ethanesulfonic acid (6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-methyl-amide
SMILES: CCS(=O)(=O)N(C)[C@H]1[C@H](O)C(C)(C)Oc2ccc(cc12)C#N
InChI Key: InChIKey=HVSJHHXUORMCGK-KGLIPLIRSA-N
Data: 5 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1 (Homo sapiens (Human)) | BDBM50099567 ((3S,4R)-Ethanesulfonic acid (6-cyano-3-hydroxy-2,2...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH Curated by ChEMBL | Assay Description Inhibition of human IKs-channel expressed in Xenopus oocytes,(Experiment 2) | J Med Chem 44: 3831-7 (2001) BindingDB Entry DOI: 10.7270/Q26H4GPX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1 (Homo sapiens (Human)) | BDBM50099567 ((3S,4R)-Ethanesulfonic acid (6-cyano-3-hydroxy-2,2...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4.45E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH Curated by ChEMBL | Assay Description Inhibition of human IKs-channel expressed in Xenopus oocytes,(Experiment 1) | J Med Chem 44: 3831-7 (2001) BindingDB Entry DOI: 10.7270/Q26H4GPX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Voltage-gated potassium channel subunit Kv7.1 (Cavia porcellus) | BDBM50099567 ((3S,4R)-Ethanesulfonic acid (6-cyano-3-hydroxy-2,2...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc. Curated by ChEMBL | Assay Description Inhibition of guinea pig Iks potassium channel expressed in Xenopus oocytes | J Med Chem 47: 1303-14 (2004) Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Voltage-gated potassium channel (Homo sapiens (Human)) | BDBM50099567 ((3S,4R)-Ethanesulfonic acid (6-cyano-3-hydroxy-2,2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description The inhibitory concentration for 50% was measured on potassium channel complex | J Med Chem 44: 1627-53 (2001) BindingDB Entry DOI: 10.7270/Q218376D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Voltage-gated potassium channel subunit Kv7.1 (Cavia porcellus) | BDBM50099567 ((3S,4R)-Ethanesulfonic acid (6-cyano-3-hydroxy-2,2...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc. Curated by ChEMBL | Assay Description Invitro evaluation against RXR-alpha in CV-1 cells by cotransfection assay was determined | J Med Chem 47: 1303-14 (2004) Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 | |||||||||||
More data for this Ligand-Target Pair |