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Compile Data Set for Download or QSAR

Found 131 hits with Last Name = 'jones' and Initial = 'ac'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50371580
PNG
(CHEMBL1162175)
Show SMILES CCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@H]2O[C@@H](O[C@@H]12)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C22H25N6O8P/c1-2-23-22(29)27-19-16-20(25-11-24-19)28(12-26-16)21-18-17(14(34-21)10-33-37(30,31)32)35-15(36-18)9-8-13-6-4-3-5-7-13/h3-9,11-12,14-15,17-18,21H,2,10H2,1H3,(H2,30,31,32)(H2,23,24,25,27,29)/b9-8+/t14-,15+,17-,18-,21-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay

J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50371581
PNG
(CHEMBL1162179)
Show SMILES CCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@H]2OC(O[C@@H]12)c1ccccc1 |r|
Show InChI InChI=1S/C20H23N6O8P/c1-2-21-20(27)25-16-13-17(23-9-22-16)26(10-24-13)18-15-14(12(32-18)8-31-35(28,29)30)33-19(34-15)11-6-4-3-5-7-11/h3-7,9-10,12,14-15,18-19H,2,8H2,1H3,(H2,28,29,30)(H2,21,22,23,25,27)/t12-,14-,15-,18-,19?/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay

J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50371580
PNG
(CHEMBL1162175)
Show SMILES CCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@H]2O[C@@H](O[C@@H]12)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C22H25N6O8P/c1-2-23-22(29)27-19-16-20(25-11-24-19)28(12-26-16)21-18-17(14(34-21)10-33-37(30,31)32)35-15(36-18)9-8-13-6-4-3-5-7-13/h3-9,11-12,14-15,17-18,21H,2,10H2,1H3,(H2,30,31,32)(H2,23,24,25,27,29)/b9-8+/t14-,15+,17-,18-,21-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay

J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50069571
PNG
(3-Benzo[1,3]dioxol-5-yl-1-benzo[1,2,5]thiadiazol-5...)
Show SMILES COc1cc2c(c(C(O)=O)n(Cc3ccc4nsnc4c3)c2cc1OC)-c1ccc2OCOc2c1
Show InChI InChI=1S/C25H19N3O6S/c1-31-20-9-15-18(10-21(20)32-2)28(11-13-3-5-16-17(7-13)27-35-26-16)24(25(29)30)23(15)14-4-6-19-22(8-14)34-12-33-19/h3-10H,11-12H2,1-2H3,(H,29,30)
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n/an/a 33n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Potency of the compound at Endothelin A receptor was determined

J Med Chem 46: 3257-74 (2003)


Article DOI: 10.1021/jm0300429
BindingDB Entry DOI: 10.7270/Q2W37VQ4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50371582
PNG
(CHEMBL1162182)
Show SMILES OP(O)(=O)OC[C@H]1O[C@H]([C@@H]2OC(Cc3ccccc3)O[C@H]12)n1cnc2c(NC(=O)NC3CCCC3)ncnc12 |r|
Show InChI InChI=1S/C24H29N6O8P/c31-24(28-15-8-4-5-9-15)29-21-18-22(26-12-25-21)30(13-27-18)23-20-19(16(36-23)11-35-39(32,33)34)37-17(38-20)10-14-6-2-1-3-7-14/h1-3,6-7,12-13,15-17,19-20,23H,4-5,8-11H2,(H2,32,33,34)(H2,25,26,28,29,31)/t16-,17?,19-,20-,23-/m1/s1
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n/an/a 36.2n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay

J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50371583
PNG
(CHEMBL1162184)
Show SMILES CCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@H]2OC(Cc3ccccc3)O[C@@H]12 |r|
Show InChI InChI=1S/C21H25N6O8P/c1-2-22-21(28)26-18-15-19(24-10-23-18)27(11-25-15)20-17-16(13(33-20)9-32-36(29,30)31)34-14(35-17)8-12-6-4-3-5-7-12/h3-7,10-11,13-14,16-17,20H,2,8-9H2,1H3,(H2,29,30,31)(H2,22,23,24,26,28)/t13-,14?,16-,17-,20-/m1/s1
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n/an/a 41n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay

J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50371589
PNG
(CHEMBL1162196)
Show SMILES Nc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@@H]3O[C@@H]([C@H]4O[C@@H](Cc5ccccc5)O[C@@H]34)n3ccc(=O)[nH]c3=O)[C@H]3O[C@@H](Cc4ccccc4)O[C@@H]23)c(=O)n1 |r|
Show InChI InChI=1S/C34H39N5O22P4/c35-23-11-13-38(33(41)36-23)31-29-27(55-25(57-29)15-19-7-3-1-4-8-19)21(53-31)17-51-62(43,44)59-64(47,48)61-65(49,50)60-63(45,46)52-18-22-28-30(32(54-22)39-14-12-24(40)37-34(39)42)58-26(56-28)16-20-9-5-2-6-10-20/h1-14,21-22,25-32H,15-18H2,(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H2,35,36,41)(H,37,40,42)/t21-,22+,25-,26+,27-,28+,29-,30+,31-,32+/m1/s1
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n/an/a 48n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay

J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50371594
PNG
(CHEMBL1162161)
Show SMILES OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@@H]2O[C@H](Cc3ccccc3)O[C@H]12)n1cnc2c(NC(=O)Nc3ccccc3)ncnc12 |r|
Show InChI InChI=1S/C25H26N6O11P2/c32-25(29-16-9-5-2-6-10-16)30-22-19-23(27-13-26-22)31(14-28-19)24-21-20(40-18(41-21)11-15-7-3-1-4-8-15)17(39-24)12-38-44(36,37)42-43(33,34)35/h1-10,13-14,17-18,20-21,24H,11-12H2,(H,36,37)(H2,33,34,35)(H2,26,27,29,30,32)/t17-,18-,20-,21-,24-/m1/s1
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n/an/a 52n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay

J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50371584
PNG
(CHEMBL1162185)
Show SMILES CCCCCCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@H]2OC(Cc3ccccc3)O[C@@H]12 |r|
Show InChI InChI=1S/C25H33N6O8P/c1-2-3-4-8-11-26-25(32)30-22-19-23(28-14-27-22)31(15-29-19)24-21-20(17(37-24)13-36-40(33,34)35)38-18(39-21)12-16-9-6-5-7-10-16/h5-7,9-10,14-15,17-18,20-21,24H,2-4,8,11-13H2,1H3,(H2,33,34,35)(H2,26,27,28,30,32)/t17-,18?,20-,21-,24-/m1/s1
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n/an/a 53n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay

J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50069573
PNG
(3-Benzo[1,3]dioxol-5-yl-1-benzo[1,2,5]thiadiazol-5...)
Show SMILES CCCOc1ccc2n(Cc3ccc4nsnc4c3)c(C(O)=O)c(-c3ccc4OCOc4c3)c2c1
Show InChI InChI=1S/C26H21N3O5S/c1-2-9-32-17-5-7-21-18(12-17)24(16-4-8-22-23(11-16)34-14-33-22)25(26(30)31)29(21)13-15-3-6-19-20(10-15)28-35-27-19/h3-8,10-12H,2,9,13-14H2,1H3,(H,30,31)
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n/an/a 97n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Potency of the compound at Endothelin A receptor was determined

J Med Chem 46: 3257-74 (2003)


Article DOI: 10.1021/jm0300429
BindingDB Entry DOI: 10.7270/Q2W37VQ4
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50069565
PNG
(3-Benzo[1,3]dioxol-5-yl-1-benzo[1,3]dioxol-5-ylmet...)
Show SMILES COc1cc2c(c(C(O)=O)n(Cc3ccc4OCOc4c3)c2cc1OC)-c1ccc2OCOc2c1
Show InChI InChI=1S/C26H21NO8/c1-30-20-9-16-17(10-21(20)31-2)27(11-14-3-5-18-22(7-14)34-12-32-18)25(26(28)29)24(16)15-4-6-19-23(8-15)35-13-33-19/h3-10H,11-13H2,1-2H3,(H,28,29)
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n/an/a 150n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Potency of the compound at Endothelin A receptor was determined

J Med Chem 46: 3257-74 (2003)


Article DOI: 10.1021/jm0300429
BindingDB Entry DOI: 10.7270/Q2W37VQ4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50371585
PNG
(CHEMBL1162188)
Show SMILES OP(O)(=O)OC[C@H]1O[C@H]([C@@H]2OC(Cc3ccccc3)O[C@H]12)n1cnc2c(NC(=O)Nc3ccccc3)ncnc12 |r|
Show InChI InChI=1S/C25H25N6O8P/c32-25(29-16-9-5-2-6-10-16)30-22-19-23(27-13-26-22)31(14-28-19)24-21-20(17(37-24)12-36-40(33,34)35)38-18(39-21)11-15-7-3-1-4-8-15/h1-10,13-14,17-18,20-21,24H,11-12H2,(H2,33,34,35)(H2,26,27,29,30,32)/t17-,18?,20-,21-,24-/m1/s1
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n/an/a 160n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay

J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50562854
PNG
(CHEMBL4763993)
Show SMILES Cc1ccc(cc1)C(=O)C#Cc1ccccc1
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n/an/a 200n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His6-tagged p97 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ATPase activity measured after 60 mi...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113148
BindingDB Entry DOI: 10.7270/Q2HT2T24
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50371578
PNG
(CHEMBL1162172)
Show SMILES OP(O)(=O)OC[C@H]1O[C@H]([C@@H]2OC(O[C@H]12)\C=C\c1ccccc1)n1cnc2c(NC(=O)Nc3ccccc3)ncnc12 |r|
Show InChI InChI=1S/C26H25N6O8P/c33-26(30-17-9-5-2-6-10-17)31-23-20-24(28-14-27-23)32(15-29-20)25-22-21(18(38-25)13-37-41(34,35)36)39-19(40-22)12-11-16-7-3-1-4-8-16/h1-12,14-15,18-19,21-22,25H,13H2,(H2,34,35,36)(H2,27,28,30,31,33)/b12-11+/t18-,19?,21-,22-,25-/m1/s1
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n/an/a 210n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay

J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50371577
PNG
(CHEMBL1162173)
Show SMILES CCCCCCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@H]2OC(O[C@@H]12)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C26H31N6O8P/c1-2-3-4-8-13-27-26(33)31-23-20-24(29-15-28-23)32(16-30-20)25-22-21(18(38-25)14-37-41(34,35)36)39-19(40-22)12-11-17-9-6-5-7-10-17/h5-7,9-10,15-16,18-19,21-22,25H,2-4,8,13-14H2,1H3,(H2,34,35,36)(H2,27,28,29,31,33)/t18-,19?,21-,22-,25-/m1/s1
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n/an/a 211n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay

J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50371579
PNG
(CHEMBL1162171)
Show SMILES CCCCCCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@H]2OC(O[C@@H]12)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C26H33N6O8P/c1-2-3-4-8-13-27-26(33)31-23-20-24(29-15-28-23)32(16-30-20)25-22-21(18(38-25)14-37-41(34,35)36)39-19(40-22)12-11-17-9-6-5-7-10-17/h5-7,9-12,15-16,18-19,21-22,25H,2-4,8,13-14H2,1H3,(H2,34,35,36)(H2,27,28,29,31,33)/b12-11+/t18-,19?,21-,22-,25-/m1/s1
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n/an/a 237n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay

J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50069567
PNG
(3-Benzo[1,3]dioxol-5-yl-1-benzo[1,3]dioxol-5-ylmet...)
Show SMILES CCCOc1ccc2n(Cc3ccc4OCOc4c3)c(C(O)=O)c(-c3ccc4OCOc4c3)c2c1
Show InChI InChI=1S/C27H23NO7/c1-2-9-31-18-5-6-20-19(12-18)25(17-4-8-22-24(11-17)35-15-33-22)26(27(29)30)28(20)13-16-3-7-21-23(10-16)34-14-32-21/h3-8,10-12H,2,9,13-15H2,1H3,(H,29,30)
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n/an/a 250n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Potency of the compound at Endothelin A receptor was determined

J Med Chem 46: 3257-74 (2003)


Article DOI: 10.1021/jm0300429
BindingDB Entry DOI: 10.7270/Q2W37VQ4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50371576
PNG
(CHEMBL1162164)
Show SMILES OP(O)(=O)OC[C@H]1O[C@H]([C@@H]2OC(O[C@H]12)C#Cc1ccccc1)n1cnc2c(NC(=O)Nc3ccccc3)ncnc12 |r|
Show InChI InChI=1S/C26H23N6O8P/c33-26(30-17-9-5-2-6-10-17)31-23-20-24(28-14-27-23)32(15-29-20)25-22-21(18(38-25)13-37-41(34,35)36)39-19(40-22)12-11-16-7-3-1-4-8-16/h1-10,14-15,18-19,21-22,25H,13H2,(H2,34,35,36)(H2,27,28,30,31,33)/t18-,19?,21-,22-,25-/m1/s1
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n/an/a 288n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay

J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50371593
PNG
(CHEMBL1162159)
Show SMILES OP(=O)(OC[C@H]1O[C@H]([C@@H]2O[C@H](Cc3ccccc3)O[C@H]12)n1cnc2c(NC(=O)Nc3ccccc3)ncnc12)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H]2O[C@@H](Cc3ccccc3)O[C@@H]12)n1cnc2c(NC(=O)Nc3ccccc3)ncnc12 |r|
Show InChI InChI=1S/C50H50N12O21P4/c63-49(57-31-17-9-3-10-18-31)59-43-37-45(53-25-51-43)61(27-55-37)47-41-39(77-35(79-41)21-29-13-5-1-6-14-29)33(75-47)23-73-84(65,66)81-86(69,70)83-87(71,72)82-85(67,68)74-24-34-40-42(80-36(78-40)22-30-15-7-2-8-16-30)48(76-34)62-28-56-38-44(52-26-54-46(38)62)60-50(64)58-32-19-11-4-12-20-32/h1-20,25-28,33-36,39-42,47-48H,21-24H2,(H,65,66)(H,67,68)(H,69,70)(H,71,72)(H2,51,53,57,59,63)(H2,52,54,58,60,64)/t33-,34+,35-,36+,39-,40+,41-,42+,47-,48+
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Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay

J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50562860
PNG
(CHEMBL4762311)
Show SMILES CC(C)(C)n1nc(-c2ccccc2)c2c(NC(=O)C=C)ncnc12
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TBA

Assay Description
Inhibition of His6-tagged p97 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ATPase activity measured after 60 mi...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113148
BindingDB Entry DOI: 10.7270/Q2HT2T24
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50562857
PNG
(CHEMBL4791813)
Show SMILES [O-][N+](=O)\C=C\c1cccnc1
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Assay Description
Inhibition of His6-tagged p97 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ATPase activity measured after 60 mi...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113148
BindingDB Entry DOI: 10.7270/Q2HT2T24
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50562869
PNG
(CHEMBL4759891)
Show SMILES CC(C)(C)n1nc(-c2ccc(cc2)-c2ccccc2)c2c(ncnc12)N(C(=O)C=C)C(=O)C=C
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TBA

Assay Description
Inhibition of His6-tagged p97 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ATPase activity measured after 60 mi...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113148
BindingDB Entry DOI: 10.7270/Q2HT2T24
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50562861
PNG
(CHEMBL4792077)
Show SMILES CC(C)(C)n1nc(-c2ccccc2)c2c(ncnc12)N(C(=O)C=C)C(=O)C=C
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TBA

Assay Description
Inhibition of His6-tagged p97 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ATPase activity measured after 60 mi...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113148
BindingDB Entry DOI: 10.7270/Q2HT2T24
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50561073
PNG
(CHEMBL4751295)
Show SMILES [O-][N+](=O)\C=C\c1cccc(c1)[N+]([O-])=O
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n/an/a 1.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His6-tagged p97 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ATPase activity measured after 60 mi...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113148
BindingDB Entry DOI: 10.7270/Q2HT2T24
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50562864
PNG
(CHEMBL4756916)
Show SMILES CC(C)(C)n1nc(-c2ccc3ccccc3c2)c2c(ncnc12)N(C(=O)C=C)C(=O)C=C
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n/an/a 1.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His6-tagged p97 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ATPase activity measured after 60 mi...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113148
BindingDB Entry DOI: 10.7270/Q2HT2T24
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50155928
PNG
(3,4-Methylenedioxyb-Nitrostyrene | CHEMBL596380)
Show SMILES [O-][N+](=O)\C=C\c1ccc2OCOc2c1
Show InChI InChI=1S/C9H7NO4/c11-10(12)4-3-7-1-2-8-9(5-7)14-6-13-8/h1-5H,6H2/b4-3+
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n/an/a 1.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of p97 in human HeLa cells assessed as reduction in proteasomal turnover of p97-dependent reporter substrate UbG76V-GFP incubated for 120 ...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113148
BindingDB Entry DOI: 10.7270/Q2HT2T24
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50562860
PNG
(CHEMBL4762311)
Show SMILES CC(C)(C)n1nc(-c2ccccc2)c2c(NC(=O)C=C)ncnc12
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TBA

Assay Description
Inhibition of p97 in human HeLa cells assessed as reduction in proteasomal turnover of p97-dependent reporter substrate UbG76V-GFP incubated for 120 ...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113148
BindingDB Entry DOI: 10.7270/Q2HT2T24
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50561073
PNG
(CHEMBL4751295)
Show SMILES [O-][N+](=O)\C=C\c1cccc(c1)[N+]([O-])=O
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TBA

Assay Description
Inhibition of p97 in human HeLa cells assessed as reduction in proteasomal turnover of p97-dependent reporter substrate UbG76V-GFP incubated for 120 ...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113148
BindingDB Entry DOI: 10.7270/Q2HT2T24
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50562859
PNG
(CHEMBL4742209)
Show SMILES [O-][N+](=O)\C=C\c1ccc(F)c(Br)c1
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TBA

Assay Description
Inhibition of His6-tagged p97 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ATPase activity measured after 60 mi...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113148
BindingDB Entry DOI: 10.7270/Q2HT2T24
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50155928
PNG
(3,4-Methylenedioxyb-Nitrostyrene | CHEMBL596380)
Show SMILES [O-][N+](=O)\C=C\c1ccc2OCOc2c1
Show InChI InChI=1S/C9H7NO4/c11-10(12)4-3-7-1-2-8-9(5-7)14-6-13-8/h1-5H,6H2/b4-3+
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TBA

Assay Description
Inhibition of His6-tagged p97 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ATPase activity measured after 60 mi...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113148
BindingDB Entry DOI: 10.7270/Q2HT2T24
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50562859
PNG
(CHEMBL4742209)
Show SMILES [O-][N+](=O)\C=C\c1ccc(F)c(Br)c1
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n/an/a 1.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of p97 in human HeLa cells assessed as reduction in proteasomal turnover of p97-dependent reporter substrate UbG76V-GFP incubated for 120 ...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113148
BindingDB Entry DOI: 10.7270/Q2HT2T24
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50371603
PNG
(CHEMBL1162165)
Show SMILES OP(=O)(OC[C@H]1O[C@H]([C@@H]2OC(Cc3ccccc3)O[C@H]12)n1ccc(=O)[nH]c1=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H]2OC(Cc3ccccc3)O[C@@H]12)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C34H38N4O23P4/c39-23-11-13-37(33(41)35-23)31-29-27(55-25(57-29)15-19-7-3-1-4-8-19)21(53-31)17-51-62(43,44)59-64(47,48)61-65(49,50)60-63(45,46)52-18-22-28-30(32(54-22)38-14-12-24(40)36-34(38)42)58-26(56-28)16-20-9-5-2-6-10-20/h1-14,21-22,25-32H,15-18H2,(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H,35,39,41)(H,36,40,42)/t21-,22+,25?,26?,27-,28+,29-,30+,31-,32+
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n/an/a 1.82E+3n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay

J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50532921
PNG
(CHEMBL594404)
Show SMILES COc1ccc(\C=C\[N+]([O-])=O)cc1OC
Show InChI InChI=1S/C10H11NO4/c1-14-9-4-3-8(5-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3/b6-5+
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n/an/a 1.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of p97 in human HeLa cells assessed as reduction in proteasomal turnover of p97-dependent reporter substrate UbG76V-GFP incubated for 120 ...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113148
BindingDB Entry DOI: 10.7270/Q2HT2T24
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50562863
PNG
(CHEMBL4788535)
Show SMILES CC(C)(C)n1nc(-c2ccc3ccccc3c2)c2c(NC(=O)C=C)ncnc12
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n/an/a 2.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of p97 in human HeLa cells assessed as reduction in proteasomal turnover of p97-dependent reporter substrate UbG76V-GFP incubated for 120 ...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113148
BindingDB Entry DOI: 10.7270/Q2HT2T24
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50249208
PNG
(2-methoxy-4-(2-nitrovinyl)phenyl benzoate | CHEMBL...)
Show SMILES COc1cc(\C=C\[N+]([O-])=O)ccc1OC(=O)c1ccccc1
Show InChI InChI=1S/C16H13NO5/c1-21-15-11-12(9-10-17(19)20)7-8-14(15)22-16(18)13-5-3-2-4-6-13/h2-11H,1H3/b10-9+
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n/an/a 2.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His6-tagged p97 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ATPase activity measured after 60 mi...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113148
BindingDB Entry DOI: 10.7270/Q2HT2T24
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50562868
PNG
(CHEMBL4790925)
Show SMILES CC(C)(C)n1nc(-c2ccc(cc2)-c2ccccc2)c2c(NC(=O)C=C)ncnc12
PDB

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n/an/a 2.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of p97 in human HeLa cells assessed as reduction in proteasomal turnover of p97-dependent reporter substrate UbG76V-GFP incubated for 120 ...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113148
BindingDB Entry DOI: 10.7270/Q2HT2T24
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50562858
PNG
(CHEMBL2409306)
Show SMILES [O-][N+](=O)\C=C\c1c(F)c(F)c(F)c(F)c1F
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n/an/a 2.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His6-tagged p97 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ATPase activity measured after 60 mi...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113148
BindingDB Entry DOI: 10.7270/Q2HT2T24
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50562864
PNG
(CHEMBL4756916)
Show SMILES CC(C)(C)n1nc(-c2ccc3ccccc3c2)c2c(ncnc12)N(C(=O)C=C)C(=O)C=C
PDB

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n/an/a 2.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of p97 in human HeLa cells assessed as reduction in proteasomal turnover of p97-dependent reporter substrate UbG76V-GFP incubated for 120 ...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113148
BindingDB Entry DOI: 10.7270/Q2HT2T24
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50069574
PNG
(3-Benzo[1,3]dioxol-5-yl-1-benzo[1,2,5]oxadiazol-5-...)
Show SMILES CCCOc1ccc2n(Cc3ccc4nonc4c3)c(C(O)=O)c(-c3ccc4OCOc4c3)c2c1
Show InChI InChI=1S/C26H21N3O6/c1-2-9-32-17-5-7-21-18(12-17)24(16-4-8-22-23(11-16)34-14-33-22)25(26(30)31)29(21)13-15-3-6-19-20(10-15)28-35-27-19/h3-8,10-12H,2,9,13-14H2,1H3,(H,30,31)
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n/an/a 2.50E+3n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Potency of the compound at Endothelin A receptor was determined

J Med Chem 46: 3257-74 (2003)


Article DOI: 10.1021/jm0300429
BindingDB Entry DOI: 10.7270/Q2W37VQ4
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50562858
PNG
(CHEMBL2409306)
Show SMILES [O-][N+](=O)\C=C\c1c(F)c(F)c(F)c(F)c1F
PDB

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n/an/a 2.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of p97 in human HeLa cells assessed as reduction in proteasomal turnover of p97-dependent reporter substrate UbG76V-GFP incubated for 120 ...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113148
BindingDB Entry DOI: 10.7270/Q2HT2T24
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50562868
PNG
(CHEMBL4790925)
Show SMILES CC(C)(C)n1nc(-c2ccc(cc2)-c2ccccc2)c2c(NC(=O)C=C)ncnc12
PDB

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n/an/a 2.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His6-tagged p97 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ATPase activity measured after 60 mi...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113148
BindingDB Entry DOI: 10.7270/Q2HT2T24
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50562857
PNG
(CHEMBL4791813)
Show SMILES [O-][N+](=O)\C=C\c1cccnc1
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n/an/a 2.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of p97 in human HeLa cells assessed as reduction in proteasomal turnover of p97-dependent reporter substrate UbG76V-GFP incubated for 120 ...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113148
BindingDB Entry DOI: 10.7270/Q2HT2T24
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50562863
PNG
(CHEMBL4788535)
Show SMILES CC(C)(C)n1nc(-c2ccc3ccccc3c2)c2c(NC(=O)C=C)ncnc12
PDB

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n/an/a 3.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His6-tagged p97 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ATPase activity measured after 60 mi...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113148
BindingDB Entry DOI: 10.7270/Q2HT2T24
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50371589
PNG
(CHEMBL1162196)
Show SMILES Nc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@@H]3O[C@@H]([C@H]4O[C@@H](Cc5ccccc5)O[C@@H]34)n3ccc(=O)[nH]c3=O)[C@H]3O[C@@H](Cc4ccccc4)O[C@@H]23)c(=O)n1 |r|
Show InChI InChI=1S/C34H39N5O22P4/c35-23-11-13-38(33(41)36-23)31-29-27(55-25(57-29)15-19-7-3-1-4-8-19)21(53-31)17-51-62(43,44)59-64(47,48)61-65(49,50)60-63(45,46)52-18-22-28-30(32(54-22)39-14-12-24(40)37-34(39)42)58-26(56-28)16-20-9-5-2-6-10-20/h1-14,21-22,25-32H,15-18H2,(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H2,35,36,41)(H,37,40,42)/t21-,22+,25-,26+,27-,28+,29-,30+,31-,32+/m1/s1
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n/an/a 3.06E+3n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay

J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50532921
PNG
(CHEMBL594404)
Show SMILES COc1ccc(\C=C\[N+]([O-])=O)cc1OC
Show InChI InChI=1S/C10H11NO4/c1-14-9-4-3-8(5-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3/b6-5+
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n/an/a 3.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His6-tagged p97 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ATPase activity measured after 60 mi...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113148
BindingDB Entry DOI: 10.7270/Q2HT2T24
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50371588
PNG
(CHEMBL1162195)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(NC(=O)Nc3ccccc3)ncnc12 |r|
Show InChI InChI=1S/C17H19N6O8P/c24-12-10(6-30-32(27,28)29)31-16(13(12)25)23-8-20-11-14(18-7-19-15(11)23)22-17(26)21-9-4-2-1-3-5-9/h1-5,7-8,10,12-13,16,24-25H,6H2,(H2,27,28,29)(H2,18,19,21,22,26)/t10-,12-,13-,16-/m1/s1
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n/an/a 3.11E+3n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay

J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50371573
PNG
(CHEMBL1162158)
Show SMILES OP(=O)(OC[C@H]1O[C@H]([C@@H]2OC(O[C@H]12)\C=C\c1ccccc1)n1ccc(=O)[nH]c1=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H]2OC(O[C@@H]12)\C=C\c1ccccc1)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C36H38N4O23P4/c41-25-15-17-39(35(43)37-25)33-31-29(57-27(59-31)13-11-21-7-3-1-4-8-21)23(55-33)19-53-64(45,46)61-66(49,50)63-67(51,52)62-65(47,48)54-20-24-30-32(34(56-24)40-18-16-26(42)38-36(40)44)60-28(58-30)14-12-22-9-5-2-6-10-22/h1-18,23-24,27-34H,19-20H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,37,41,43)(H,38,42,44)/b13-11+,14-12+/t23-,24+,27?,28?,29-,30+,31-,32+,33-,34+
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n/an/a 3.30E+3n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay

J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50371573
PNG
(CHEMBL1162158)
Show SMILES OP(=O)(OC[C@H]1O[C@H]([C@@H]2OC(O[C@H]12)\C=C\c1ccccc1)n1ccc(=O)[nH]c1=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H]2OC(O[C@@H]12)\C=C\c1ccccc1)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C36H38N4O23P4/c41-25-15-17-39(35(43)37-25)33-31-29(57-27(59-31)13-11-21-7-3-1-4-8-21)23(55-33)19-53-64(45,46)61-66(49,50)63-67(51,52)62-65(47,48)54-20-24-30-32(34(56-24)40-18-16-26(42)38-36(40)44)60-28(58-30)14-12-22-9-5-2-6-10-22/h1-18,23-24,27-34H,19-20H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,37,41,43)(H,38,42,44)/b13-11+,14-12+/t23-,24+,27?,28?,29-,30+,31-,32+,33-,34+
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n/an/a 3.30E+3n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay

J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50562854
PNG
(CHEMBL4763993)
Show SMILES Cc1ccc(cc1)C(=O)C#Cc1ccccc1
PDB

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n/an/a 3.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of p97 in human HeLa cells assessed as reduction in proteasomal turnover of p97-dependent reporter substrate UbG76V-GFP incubated for 120 ...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113148
BindingDB Entry DOI: 10.7270/Q2HT2T24
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50562856
PNG
(CHEMBL4763795)
Show SMILES CCC(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1OC
PDB

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UniProtKB/SwissProt

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n/an/a 3.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His6-tagged p97 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ATPase activity measured after 60 mi...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113148
BindingDB Entry DOI: 10.7270/Q2HT2T24
More data for this
Ligand-Target Pair
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