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

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50099567   

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...) Show SMILES CCS(=O)(=O)N(C)[C@H]1[C@H](O)C(C)(C)Oc2ccc(cc12)C#N Show InChI InChI=1S/C15H20N2O4S/c1-5-22(19,20)17(4)13-11-8-10(9-16)6-7-12(11)21-15(2,3)14(13)18/h6-8,13-14,18H,5H2,1-4H3/t13-,14+/m1/s1	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...) Show SMILES CCS(=O)(=O)N(C)[C@H]1[C@H](O)C(C)(C)Oc2ccc(cc12)C#N Show InChI InChI=1S/C15H20N2O4S/c1-5-22(19,20)17(4)13-11-8-10(9-16)6-7-12(11)21-15(2,3)14(13)18/h6-8,13-14,18H,5H2,1-4H3/t13-,14+/m1/s1	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...) Show SMILES CCS(=O)(=O)N(C)[C@H]1[C@H](O)C(C)(C)Oc2ccc(cc12)C#N Show InChI InChI=1S/C15H20N2O4S/c1-5-22(19,20)17(4)13-11-8-10(9-16)6-7-12(11)21-15(2,3)14(13)18/h6-8,13-14,18H,5H2,1-4H3/t13-,14+/m1/s1	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...) Show SMILES CCS(=O)(=O)N(C)[C@H]1[C@H](O)C(C)(C)Oc2ccc(cc12)C#N Show InChI InChI=1S/C15H20N2O4S/c1-5-22(19,20)17(4)13-11-8-10(9-16)6-7-12(11)21-15(2,3)14(13)18/h6-8,13-14,18H,5H2,1-4H3/t13-,14+/m1/s1	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...) Show SMILES CCS(=O)(=O)N(C)[C@H]1[C@H](O)C(C)(C)Oc2ccc(cc12)C#N Show InChI InChI=1S/C15H20N2O4S/c1-5-22(19,20)17(4)13-11-8-10(9-16)6-7-12(11)21-15(2,3)14(13)18/h6-8,13-14,18H,5H2,1-4H3/t13-,14+/m1/s1	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