Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with Target = 'Acid-sensing ion channel 1'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Amiloride-sensitive cation channel 2, neuronal (Homo sapiens (Human))	BDBM50096642 (CHEMBL3577296) Show SMILES CCN(CC)CCN(Cc1ccc(Cl)cc1)c1ccc2cc(C(N)=N)c(=O)oc2c1 Show InChI InChI=1S/C23H27ClN4O2/c1-3-27(4-2)11-12-28(15-16-5-8-18(24)9-6-16)19-10-7-17-13-20(22(25)26)23(29)30-21(17)14-19/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H3,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	6.7	n/a
Bogomoletz Institute of Physiology of NAS Ukraine Curated by ChEMBL					Assay Description Inhibition of human ASIC1a endogenously expressed in HEK293 cells clamped at -100 mV gated ionic current at pH 6.7 by standard whole cell patch clamp...				J Med Chem 58: 4449-61 (2015) Article DOI: 10.1021/jm5017329 BindingDB Entry DOI: 10.7270/Q2FT8NTK
					More data for this Ligand-Target Pair
Amiloride-sensitive cation channel 2, neuronal (Homo sapiens (Human))	BDBM50348098 (CHEMBL1800430) Show SMILES NCc1sc2cc(ccc2c1Cl)C#Cc1ccc2CCNCc2c1 Show InChI InChI=1S/C20H17ClN2S/c21-20-17-6-4-14(10-18(17)24-19(20)11-22)2-1-13-3-5-15-7-8-23-12-16(15)9-13/h3-6,9-10,23H,7-8,11-12,22H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	224	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of ASIC1a				Bioorg Med Chem Lett 21: 4255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.064 BindingDB Entry DOI: 10.7270/Q2DZ08P8
					More data for this Ligand-Target Pair
Amiloride-sensitive cation channel 2, neuronal (Homo sapiens (Human))	BDBM50096642 (CHEMBL3577296) Show SMILES CCN(CC)CCN(Cc1ccc(Cl)cc1)c1ccc2cc(C(N)=N)c(=O)oc2c1 Show InChI InChI=1S/C23H27ClN4O2/c1-3-27(4-2)11-12-28(15-16-5-8-18(24)9-6-16)19-10-7-17-13-20(22(25)26)23(29)30-21(17)14-19/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H3,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.34E+3	n/a	n/a	n/a	n/a	5.0	n/a
Bogomoletz Institute of Physiology of NAS Ukraine Curated by ChEMBL					Assay Description Inhibition of human ASIC1a endogenously expressed in HEK293 cells clamped at -100 mV gated ionic current at pH 5.0 by standard whole cell patch clamp...				J Med Chem 58: 4449-61 (2015) Article DOI: 10.1021/jm5017329 BindingDB Entry DOI: 10.7270/Q2FT8NTK
					More data for this Ligand-Target Pair
Acid-sensing ion channel 1 (Rattus norvegicus)	BDBM50009859 ((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...) Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O Show InChI InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.35E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of rat ASIC1a receptor expressed in xenopus lavies oocytes at pH 6.9 by two electrode voltage clamp				J Med Chem 60: 8192-8200 (2017)
					More data for this Ligand-Target Pair
Acid-sensing ion channel 1 (Rattus norvegicus)	BDBM50009859 ((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...) Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O Show InChI InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.35E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of rat ASIC1a receptor expressed in xenopus lavies oocytes at pH 6.9 by two electrode voltage clamp				J Med Chem 60: 8192-8200 (2017)
					More data for this Ligand-Target Pair
Acid-sensing ion channel 1 (Rattus norvegicus)	BDBM50074922 ((+-)-2-fluoro-alpha-methyl-4-biphenylacetic acid |...) Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccccc1 Show InChI InChI=1/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)	PDB UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of rat ASIC1a receptor expressed in xenopus lavies oocytes assessed as inhibition of pH 6.7-gated currents by two electrode voltage clamp				J Med Chem 60: 8192-8200 (2017)
					More data for this Ligand-Target Pair
Acid-sensing ion channel 1 (Rattus norvegicus)	BDBM50250133 (BUTIBUFEN | Butibufen) Show SMILES CCC(C(O)=O)c1ccc(CC(C)C)cc1 Show InChI InChI=1/C14H20O2/c1-4-13(14(15)16)12-7-5-11(6-8-12)9-10(2)3/h5-8,10,13H,4,9H2,1-3H3,(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem Patents	PubMed	n/a	n/a	1.82E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of rat ASIC1a receptor expressed in xenopus lavies oocytes assessed as inhibition of pH 6.7-gated currents by two electrode voltage clamp				J Med Chem 60: 8192-8200 (2017)
					More data for this Ligand-Target Pair
Acid-sensing ion channel 1 (Rattus norvegicus)	BDBM50169044 ((-)-ibuprofen | (2R)-2-(4-isobutylphenyl)propanoic...) Show SMILES CC(C)Cc1ccc(cc1)[C@@H](C)C(O)=O Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2.88E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of rat ASIC1a receptor expressed in xenopus lavies oocytes assessed as inhibition of pH 6.7-gated currents by two electrode voltage clamp				J Med Chem 60: 8192-8200 (2017)
					More data for this Ligand-Target Pair
Acid-sensing ion channel 1 (Rattus norvegicus)	BDBM50009859 ((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...) Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O Show InChI InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2.95E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of rat ASIC1a receptor expressed in xenopus lavies oocytes at pH 6.7 by two electrode voltage clamp				J Med Chem 60: 8192-8200 (2017)
					More data for this Ligand-Target Pair
Acid-sensing ion channel 1 (Rattus norvegicus)	BDBM50009859 ((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...) Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O Show InChI InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2.95E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of rat ASIC1a receptor expressed in xenopus lavies oocytes at pH 6.7 by two electrode voltage clamp				J Med Chem 60: 8192-8200 (2017)
					More data for this Ligand-Target Pair
Acid-sensing ion channel 1 (Rattus norvegicus)	BDBM50009859 ((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...) Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O Show InChI InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2.95E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of rat ASIC1a receptor expressed in xenopus lavies oocytes assessed as inhibition of pH 6.7-gated currents by two electrode voltage clamp				J Med Chem 60: 8192-8200 (2017)
					More data for this Ligand-Target Pair
Acid-sensing ion channel 1 (Rattus norvegicus)	BDBM50169047 ((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...) Show SMILES CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O Show InChI InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/s2	PDB UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	3.47E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of rat ASIC1a receptor expressed in xenopus lavies oocytes assessed as inhibition of pH 6.7-gated currents by two electrode voltage clamp				J Med Chem 60: 8192-8200 (2017)
					More data for this Ligand-Target Pair
Acid-sensing ion channel 1 (Rattus norvegicus)	BDBM50250130 (CHEMBL4083814) Show SMILES CC(C)Cc1ccc(cc1)C(O)=O Show InChI InChI=1S/C11H14O2/c1-8(2)7-9-3-5-10(6-4-9)11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13)	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.17E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of rat ASIC1a receptor expressed in xenopus lavies oocytes assessed as inhibition of pH 6.7-gated currents by two electrode voltage clamp				J Med Chem 60: 8192-8200 (2017)
					More data for this Ligand-Target Pair
Acid-sensing ion channel 1 (Rattus norvegicus)	BDBM50009859 ((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...) Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O Show InChI InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	5.13E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of rat ASIC1a receptor expressed in xenopus lavies oocytes at pH 6.4 by two electrode voltage clamp				J Med Chem 60: 8192-8200 (2017)
					More data for this Ligand-Target Pair
Acid-sensing ion channel 1 (Rattus norvegicus)	BDBM50009859 ((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...) Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O Show InChI InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	5.13E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of rat ASIC1a receptor expressed in xenopus lavies oocytes at pH 6.4 by two electrode voltage clamp				J Med Chem 60: 8192-8200 (2017)
					More data for this Ligand-Target Pair
Acid-sensing ion channel 1 (Rattus norvegicus)	BDBM50250132 (CHEMBL4080879) Show SMILES CC(C)Cc1ccc(cc1)C(F)C(O)=O Show InChI InChI=1/C12H15FO2/c1-8(2)7-9-3-5-10(6-4-9)11(13)12(14)15/h3-6,8,11H,7H2,1-2H3,(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.55E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of rat ASIC1a receptor expressed in xenopus lavies oocytes assessed as inhibition of pH 6.7-gated currents by two electrode voltage clamp				J Med Chem 60: 8192-8200 (2017)
					More data for this Ligand-Target Pair
Acid-sensing ion channel 1 (Rattus norvegicus)	BDBM50295285 ((4-Isobutyl-phenyl)-acetic acid | 2-(4-isobutylphe...) Show SMILES CC(C)Cc1ccc(CC(O)=O)cc1 Show InChI InChI=1S/C12H16O2/c1-9(2)7-10-3-5-11(6-4-10)8-12(13)14/h3-6,9H,7-8H2,1-2H3,(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.02E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of rat ASIC1a receptor expressed in xenopus lavies oocytes assessed as inhibition of pH 6.7-gated currents by two electrode voltage clamp				J Med Chem 60: 8192-8200 (2017)
					More data for this Ligand-Target Pair
Acid-sensing ion channel 1 (Rattus norvegicus)	BDBM50250131 (CHEMBL190275) Show SMILES CC(C(O)=O)c1ccc(C)cc1 Show InChI InChI=1/C10H12O2/c1-7-3-5-9(6-4-7)8(2)10(11)12/h3-6,8H,1-2H3,(H,11,12)	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of rat ASIC1a receptor expressed in xenopus lavies oocytes assessed as inhibition of pH 6.7-gated currents by two electrode voltage clamp				J Med Chem 60: 8192-8200 (2017)
					More data for this Ligand-Target Pair
Amiloride-sensitive cation channel 2, neuronal (Homo sapiens (Human))	BDBM50096642 (CHEMBL3577296) Show SMILES CCN(CC)CCN(Cc1ccc(Cl)cc1)c1ccc2cc(C(N)=N)c(=O)oc2c1 Show InChI InChI=1S/C23H27ClN4O2/c1-3-27(4-2)11-12-28(15-16-5-8-18(24)9-6-16)19-10-7-17-13-20(22(25)26)23(29)30-21(17)14-19/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H3,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.5	n/a	n/a	n/a	n/a
Bogomoletz Institute of Physiology of NAS Ukraine Curated by ChEMBL					Assay Description Orthosteric non-competitive inhibition of human ASIC1a endogenously expressed in HEK293 cells clamped at -100 mV gated ionic current assessed as EC50...				J Med Chem 58: 4449-61 (2015) Article DOI: 10.1021/jm5017329 BindingDB Entry DOI: 10.7270/Q2FT8NTK
					More data for this Ligand-Target Pair
Amiloride-sensitive cation channel 2, neuronal (Homo sapiens (Human))	BDBM50096642 (CHEMBL3577296) Show SMILES CCN(CC)CCN(Cc1ccc(Cl)cc1)c1ccc2cc(C(N)=N)c(=O)oc2c1 Show InChI InChI=1S/C23H27ClN4O2/c1-3-27(4-2)11-12-28(15-16-5-8-18(24)9-6-16)19-10-7-17-13-20(22(25)26)23(29)30-21(17)14-19/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H3,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.40	n/a	n/a	n/a	n/a
Bogomoletz Institute of Physiology of NAS Ukraine Curated by ChEMBL					Assay Description Orthosteric non-competitive inhibition of human ASIC1a endogenously expressed in HEK293 cells clamped at -100 mV gated ionic current assessed as EC50...				J Med Chem 58: 4449-61 (2015) Article DOI: 10.1021/jm5017329 BindingDB Entry DOI: 10.7270/Q2FT8NTK
					More data for this Ligand-Target Pair
Amiloride-sensitive cation channel 2, neuronal (Homo sapiens (Human))	BDBM50096642 (CHEMBL3577296) Show SMILES CCN(CC)CCN(Cc1ccc(Cl)cc1)c1ccc2cc(C(N)=N)c(=O)oc2c1 Show InChI InChI=1S/C23H27ClN4O2/c1-3-27(4-2)11-12-28(15-16-5-8-18(24)9-6-16)19-10-7-17-13-20(22(25)26)23(29)30-21(17)14-19/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H3,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.20	n/a	n/a	n/a	n/a
Bogomoletz Institute of Physiology of NAS Ukraine Curated by ChEMBL					Assay Description Orthosteric non-competitive inhibition of human ASIC1a endogenously expressed in HEK293 cells clamped at -100 mV gated ionic current assessed as EC50...				J Med Chem 58: 4449-61 (2015) Article DOI: 10.1021/jm5017329 BindingDB Entry DOI: 10.7270/Q2FT8NTK
					More data for this Ligand-Target Pair