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Compile Data Set for Download or QSAR

Found 14 hits of ic50 data for polymerid = 50004788   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Acid-sensing ion channel 1


(Homo sapiens (Human))		BDBM50096642
PNG
(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)
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n/an/a 27n/an/an/an/a6.7n/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
Acid-sensing ion channel 1


(Homo sapiens (Human))		BDBM50348098
PNG
(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
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n/an/a 224n/an/an/an/an/an/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
Acid-sensing ion channel 1


(Homo sapiens (Human))		CHEMBL5269133
PNG
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(COc3ccc(cc3)C(C)(C)C)cc12
Show InChI InChI=1S/C28H34N2OS/c1-28(2,3)22-12-14-23(15-13-22)31-20-21-11-16-27-25(19-21)30(18-8-17-29(4)5)24-9-6-7-10-26(24)32-27/h6-7,9-16,19H,8,17-18,20H2,1-5H3
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n/an/a 407n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human muscarinic acetylcholine M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...

Citation and Details
More data for this
Ligand-Target Pair
Acid-sensing ion channel 1


(Homo sapiens (Human))		CHEMBL5270983
PNG
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(CN=O)cc12
Show InChI InChI=1S/C18H21N3OS/c1-20(2)10-5-11-21-15-6-3-4-7-17(15)23-18-9-8-14(13-19-22)12-16(18)21/h3-4,6-9,12H,5,10-11,13H2,1-2H3
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n/an/a 518n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at AT1 receptor in rat aorta

Citation and Details
More data for this
Ligand-Target Pair
Acid-sensing ion channel 1


(Homo sapiens (Human))		CHEMBL5289168
PNG
Show SMILES Clc1ccc2Sc3ccccc3N(C(=O)CCC(=O)NCc3ccccc3)c2c1
Show InChI InChI=1S/C23H19ClN2O2S/c24-17-10-11-21-19(14-17)26(18-8-4-5-9-20(18)29-21)23(28)13-12-22(27)25-15-16-6-2-1-3-7-16/h1-11,14H,12-13,15H2,(H,25,27)
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n/an/a 729n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at AT1 receptor in rat aorta

Citation and Details
More data for this
Ligand-Target Pair
Acid-sensing ion channel 1


(Homo sapiens (Human))		CHEMBL5278611
PNG
Show SMILES CN(C)CCCN1c2cc(Cl)ccc2Sc2ccc(cc12)C(C)=O
Show InChI InChI=1S/C19H21ClN2OS/c1-13(23)14-5-7-18-16(11-14)22(10-4-9-21(2)3)17-12-15(20)6-8-19(17)24-18/h5-8,11-12H,4,9-10H2,1-3H3
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n/an/a 972n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at AT1 receptor in rat aorta

Citation and Details
More data for this
Ligand-Target Pair
Acid-sensing ion channel 1


(Homo sapiens (Human))		CHEMBL5287933
PNG
Show SMILES CCN(CC)CC(=O)N1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C18H19ClN2OS/c1-3-20(4-2)12-18(22)21-14-7-5-6-8-16(14)23-17-10-9-13(19)11-15(17)21/h5-11H,3-4,12H2,1-2H3
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n/an/a 1.42E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at AT1 receptor in rat aorta

Citation and Details
More data for this
Ligand-Target Pair
Acid-sensing ion channel 1


(Homo sapiens (Human))		CHEMBL5291421
PNG
Show SMILES CCN(CC)CCC(=O)N1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2OS/c1-3-21(4-2)12-11-19(23)22-15-7-5-6-8-17(15)24-18-10-9-14(20)13-16(18)22/h5-10,13H,3-4,11-12H2,1-2H3
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n/an/a 1.99E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at AT1 receptor in rat aorta

Citation and Details
More data for this
Ligand-Target Pair
Acid-sensing ion channel 1


(Homo sapiens (Human))		CHEMBL5285672
PNG
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(CN)cc12
Show InChI InChI=1S/C18H23N3S/c1-20(2)10-5-11-21-15-6-3-4-7-17(15)22-18-9-8-14(13-19)12-16(18)21/h3-4,6-9,12H,5,10-11,13,19H2,1-2H3
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n/an/a 1.99E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human muscarinic acetylcholine M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...

Citation and Details
More data for this
Ligand-Target Pair
Acid-sensing ion channel 1


(Homo sapiens (Human))		CHEMBL5267130
PNG
Show SMILES CC(=O)N1c2ccccc2Sc2ccc(cc12)C(C)=O
Show InChI InChI=1S/C16H13NO2S/c1-10(18)12-7-8-16-14(9-12)17(11(2)19)13-5-3-4-6-15(13)20-16/h3-9H,1-2H3
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n/an/a 2.59E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at AT1 receptor in rat aorta

Citation and Details
More data for this
Ligand-Target Pair
Acid-sensing ion channel 1


(Homo sapiens (Human))		CHEMBL5276647
PNG
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(O)=O
Show InChI InChI=1S/C18H20N2O2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)23-17-9-8-13(18(21)22)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,21,22)
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n/an/a 2.95E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at AT1 receptor in rat aorta

Citation and Details
More data for this
Ligand-Target Pair
Acid-sensing ion channel 1


(Homo sapiens (Human))		CHEMBL5267106
PNG
Show SMILES CN(C)CCCN1c2ccccc2Sc2c(Cl)cccc12
Show InChI InChI=1S/C17H19ClN2S/c1-19(2)11-6-12-20-14-8-3-4-10-16(14)21-17-13(18)7-5-9-15(17)20/h3-5,7-10H,6,11-12H2,1-2H3
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n/an/a 3.14E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human muscarinic acetylcholine M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...

Citation and Details
More data for this
Ligand-Target Pair
Acid-sensing ion channel 1


(Homo sapiens (Human))		BDBM50096642
PNG
(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)
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n/an/a 7.34E+3n/an/an/an/a5.0n/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


(Homo sapiens (Human))		CHEMBL5283083
PNG
Show SMILES Clc1ccc2Sc3ccccc3N(C(=O)CCC(=O)NNc3ccccc3)c2c1
Show InChI InChI=1S/C22H18ClN3O2S/c23-15-10-11-20-18(14-15)26(17-8-4-5-9-19(17)29-20)22(28)13-12-21(27)25-24-16-6-2-1-3-7-16/h1-11,14,24H,12-13H2,(H,25,27)
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n/an/a 9.54E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at AT1 receptor in rat aorta

Citation and Details
More data for this
Ligand-Target Pair