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Compile Data Set for Download or QSAR

Found 115 hits with Last Name = 'ciogli' and Initial = 'a'   
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
Cholecystokinin receptor type A


(Homo sapiens (Human))
BDBM50360276
PNG
(CHEMBL1933104)
Show SMILES OC(=O)[C@@H](CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C26H23N3O4/c30-24(29-22(26(32)33)15-14-17-8-2-1-3-9-17)19-11-5-7-13-21(19)28-25(31)23-16-18-10-4-6-12-20(18)27-23/h1-13,16,22,27H,14-15H2,(H,28,31)(H,29,30)(H,32,33)/t22-/m1/s1
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0.320n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]-BH-JMV-179 from wild type human CCK1 receptor expressed in COS7 cells after 60 mins by gamma counting


J Med Chem 54: 5769-85 (2011)


Article DOI: 10.1021/jm200438b
BindingDB Entry DOI: 10.7270/Q2BP036J
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))
BDBM50360276
PNG
(CHEMBL1933104)
Show SMILES OC(=O)[C@@H](CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C26H23N3O4/c30-24(29-22(26(32)33)15-14-17-8-2-1-3-9-17)19-11-5-7-13-21(19)28-25(31)23-16-18-10-4-6-12-20(18)27-23/h1-13,16,22,27H,14-15H2,(H,28,31)(H,29,30)(H,32,33)/t22-/m1/s1
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2.30n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-(Thr,-Nle)-CCK-9 from human CCK1 receptor expressed in COS-7 cells after 60 mins by gamma counting


J Med Chem 54: 5769-85 (2011)


Article DOI: 10.1021/jm200438b
BindingDB Entry DOI: 10.7270/Q2BP036J
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))
BDBM50360273
PNG
(CHEMBL1933100)
Show SMILES OC(=O)C(CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C26H23N3O4/c30-24(29-22(26(32)33)15-14-17-8-2-1-3-9-17)19-11-5-7-13-21(19)28-25(31)23-16-18-10-4-6-12-20(18)27-23/h1-13,16,22,27H,14-15H2,(H,28,31)(H,29,30)(H,32,33)
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3.90n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-(Thr,-Nle)-CCK-9 from human CCK1 receptor expressed in COS-7 cells after 60 mins by gamma counting


J Med Chem 54: 5769-85 (2011)


Article DOI: 10.1021/jm200438b
BindingDB Entry DOI: 10.7270/Q2BP036J
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))
BDBM50360276
PNG
(CHEMBL1933104)
Show SMILES OC(=O)[C@@H](CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C26H23N3O4/c30-24(29-22(26(32)33)15-14-17-8-2-1-3-9-17)19-11-5-7-13-21(19)28-25(31)23-16-18-10-4-6-12-20(18)27-23/h1-13,16,22,27H,14-15H2,(H,28,31)(H,29,30)(H,32,33)/t22-/m1/s1
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5.80n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]-SR-27897 from wild type human CCK1 receptor expressed in COS7 cells after 60 mins by gamma counting


J Med Chem 54: 5769-85 (2011)


Article DOI: 10.1021/jm200438b
BindingDB Entry DOI: 10.7270/Q2BP036J
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))
BDBM50005463
PNG
((R)-1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-...)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)/t23-/m1/s1
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10.4n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-(Thr,-Nle)-CCK-9 from human CCK1 receptor expressed in COS-7 cells after 60 mins by gamma counting


J Med Chem 54: 5769-85 (2011)


Article DOI: 10.1021/jm200438b
BindingDB Entry DOI: 10.7270/Q2BP036J
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))
BDBM50185262
PNG
((+/-)-2-(2-(1H-indole-2-carboxamido)benzamido)-3-p...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C25H21N3O4/c29-23(28-22(25(31)32)14-16-8-2-1-3-9-16)18-11-5-7-13-20(18)27-24(30)21-15-17-10-4-6-12-19(17)26-21/h1-13,15,22,26H,14H2,(H,27,30)(H,28,29)(H,31,32)
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59.8n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-(Thr,-Nle)-CCK-9 from human CCK1 receptor expressed in COS-7 cells after 60 mins by gamma counting


J Med Chem 54: 5769-85 (2011)


Article DOI: 10.1021/jm200438b
BindingDB Entry DOI: 10.7270/Q2BP036J
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50005463
PNG
((R)-1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-...)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)/t23-/m1/s1
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169n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-(Thr,-Nle)-CCK-9 from human CCK2 receptor expressed in COS-7 cells after 60 mins by gamma counting


J Med Chem 54: 5769-85 (2011)


Article DOI: 10.1021/jm200438b
BindingDB Entry DOI: 10.7270/Q2BP036J
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))
BDBM50360275
PNG
(CHEMBL1933103)
Show SMILES OC(=O)[C@H](CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C26H23N3O4/c30-24(29-22(26(32)33)15-14-17-8-2-1-3-9-17)19-11-5-7-13-21(19)28-25(31)23-16-18-10-4-6-12-20(18)27-23/h1-13,16,22,27H,14-15H2,(H,28,31)(H,29,30)(H,32,33)/t22-/m0/s1
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973n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-(Thr,-Nle)-CCK-9 from human CCK1 receptor expressed in COS-7 cells after 60 mins by gamma counting


J Med Chem 54: 5769-85 (2011)


Article DOI: 10.1021/jm200438b
BindingDB Entry DOI: 10.7270/Q2BP036J
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50360275
PNG
(CHEMBL1933103)
Show SMILES OC(=O)[C@H](CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C26H23N3O4/c30-24(29-22(26(32)33)15-14-17-8-2-1-3-9-17)19-11-5-7-13-21(19)28-25(31)23-16-18-10-4-6-12-20(18)27-23/h1-13,16,22,27H,14-15H2,(H,28,31)(H,29,30)(H,32,33)/t22-/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-(Thr,-Nle)-CCK-9 from human CCK2 receptor expressed in COS-7 cells after 60 mins by gamma counting


J Med Chem 54: 5769-85 (2011)


Article DOI: 10.1021/jm200438b
BindingDB Entry DOI: 10.7270/Q2BP036J
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50360276
PNG
(CHEMBL1933104)
Show SMILES OC(=O)[C@@H](CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C26H23N3O4/c30-24(29-22(26(32)33)15-14-17-8-2-1-3-9-17)19-11-5-7-13-21(19)28-25(31)23-16-18-10-4-6-12-20(18)27-23/h1-13,16,22,27H,14-15H2,(H,28,31)(H,29,30)(H,32,33)/t22-/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-(Thr,-Nle)-CCK-9 from human CCK2 receptor expressed in COS-7 cells after 60 mins by gamma counting


J Med Chem 54: 5769-85 (2011)


Article DOI: 10.1021/jm200438b
BindingDB Entry DOI: 10.7270/Q2BP036J
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(RAT)
BDBM50475854
PNG
(CHEMBL386435)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N(C1CC1)C1CCNCC1
Show InChI InChI=1S/C14H19ClN2O2S/c15-11-1-5-14(6-2-11)20(18,19)17(12-3-4-12)13-7-9-16-10-8-13/h1-2,5-6,12-13,16H,3-4,7-10H2
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3.02E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Inhibition of [3H]diltiazem binding to Sprague-Dawley rat cardiomyocytes


J Med Chem 49: 5206-16 (2006)


Article DOI: 10.1021/jm0604373
BindingDB Entry DOI: 10.7270/Q2KP84W4
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50360273
PNG
(CHEMBL1933100)
Show SMILES OC(=O)C(CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C26H23N3O4/c30-24(29-22(26(32)33)15-14-17-8-2-1-3-9-17)19-11-5-7-13-21(19)28-25(31)23-16-18-10-4-6-12-20(18)27-23/h1-13,16,22,27H,14-15H2,(H,28,31)(H,29,30)(H,32,33)
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1.53E+4n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-(Thr,-Nle)-CCK-9 from human CCK2 receptor expressed in COS-7 cells after 60 mins by gamma counting


J Med Chem 54: 5769-85 (2011)


Article DOI: 10.1021/jm200438b
BindingDB Entry DOI: 10.7270/Q2BP036J
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50185262
PNG
((+/-)-2-(2-(1H-indole-2-carboxamido)benzamido)-3-p...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C25H21N3O4/c29-23(28-22(25(31)32)14-16-8-2-1-3-9-16)18-11-5-7-13-20(18)27-24(30)21-15-17-10-4-6-12-19(17)26-21/h1-13,15,22,26H,14H2,(H,27,30)(H,28,29)(H,31,32)
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2.20E+4n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-(Thr,-Nle)-CCK-9 from human CCK2 receptor expressed in COS-7 cells after 60 mins by gamma counting


J Med Chem 54: 5769-85 (2011)


Article DOI: 10.1021/jm200438b
BindingDB Entry DOI: 10.7270/Q2BP036J
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50360276
PNG
(CHEMBL1933104)
Show SMILES OC(=O)[C@@H](CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C26H23N3O4/c30-24(29-22(26(32)33)15-14-17-8-2-1-3-9-17)19-11-5-7-13-21(19)28-25(31)23-16-18-10-4-6-12-20(18)27-23/h1-13,16,22,27H,14-15H2,(H,28,31)(H,29,30)(H,32,33)/t22-/m1/s1
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n/an/a 9.5n/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]-BH-CCK8 from CCK1 receptor in Sprague-Dawley rat pancreatic acini after 120 hrs by gamma-counting


J Med Chem 54: 5769-85 (2011)


Article DOI: 10.1021/jm200438b
BindingDB Entry DOI: 10.7270/Q2BP036J
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50360273
PNG
(CHEMBL1933100)
Show SMILES OC(=O)C(CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C26H23N3O4/c30-24(29-22(26(32)33)15-14-17-8-2-1-3-9-17)19-11-5-7-13-21(19)28-25(31)23-16-18-10-4-6-12-20(18)27-23/h1-13,16,22,27H,14-15H2,(H,28,31)(H,29,30)(H,32,33)
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n/an/a 15.7n/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]-BH-CCK8 from CCK1 receptor in Sprague-Dawley rat pancreatic acini after 120 hrs by gamma-counting


J Med Chem 54: 5769-85 (2011)


Article DOI: 10.1021/jm200438b
BindingDB Entry DOI: 10.7270/Q2BP036J
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50360274
PNG
(CHEMBL1933101)
Show SMILES OC(=O)C(CCCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C27H25N3O4/c31-25(30-23(27(33)34)16-8-11-18-9-2-1-3-10-18)20-13-5-7-15-22(20)29-26(32)24-17-19-12-4-6-14-21(19)28-24/h1-7,9-10,12-15,17,23,28H,8,11,16H2,(H,29,32)(H,30,31)(H,33,34)
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n/an/a 107n/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]-BH-CCK8 from CCK1 receptor in Sprague-Dawley rat pancreatic acini after 120 hrs by gamma-counting


J Med Chem 54: 5769-85 (2011)


Article DOI: 10.1021/jm200438b
BindingDB Entry DOI: 10.7270/Q2BP036J
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50185262
PNG
((+/-)-2-(2-(1H-indole-2-carboxamido)benzamido)-3-p...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C25H21N3O4/c29-23(28-22(25(31)32)14-16-8-2-1-3-9-16)18-11-5-7-13-20(18)27-24(30)21-15-17-10-4-6-12-19(17)26-21/h1-13,15,22,26H,14H2,(H,27,30)(H,28,29)(H,31,32)
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n/an/a 197n/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]-BH-CCK8 from CCK1 receptor in Sprague-Dawley rat pancreatic acini after 120 hrs by gamma-counting


J Med Chem 54: 5769-85 (2011)


Article DOI: 10.1021/jm200438b
BindingDB Entry DOI: 10.7270/Q2BP036J
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50360275
PNG
(CHEMBL1933103)
Show SMILES OC(=O)[C@H](CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C26H23N3O4/c30-24(29-22(26(32)33)15-14-17-8-2-1-3-9-17)19-11-5-7-13-21(19)28-25(31)23-16-18-10-4-6-12-20(18)27-23/h1-13,16,22,27H,14-15H2,(H,28,31)(H,29,30)(H,32,33)/t22-/m0/s1
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n/an/a 313n/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]-BH-CCK8 from CCK1 receptor in Sprague-Dawley rat pancreatic acini after 120 hrs by gamma-counting


J Med Chem 54: 5769-85 (2011)


Article DOI: 10.1021/jm200438b
BindingDB Entry DOI: 10.7270/Q2BP036J
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50360272
PNG
(CHEMBL1933099)
Show SMILES OC(=O)C(NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1)c1ccccc1
Show InChI InChI=1S/C24H19N3O4/c28-22(27-21(24(30)31)15-8-2-1-3-9-15)17-11-5-7-13-19(17)26-23(29)20-14-16-10-4-6-12-18(16)25-20/h1-14,21,25H,(H,26,29)(H,27,28)(H,30,31)
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n/an/a 317n/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]-BH-CCK8 from CCK1 receptor in Sprague-Dawley rat pancreatic acini after 120 hrs by gamma-counting


J Med Chem 54: 5769-85 (2011)


Article DOI: 10.1021/jm200438b
BindingDB Entry DOI: 10.7270/Q2BP036J
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50360277
PNG
(CHEMBL1933108)
Show SMILES ONC(=O)C(CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C26H24N4O4/c31-24(29-22(26(33)30-34)15-14-17-8-2-1-3-9-17)19-11-5-7-13-21(19)28-25(32)23-16-18-10-4-6-12-20(18)27-23/h1-13,16,22,27,34H,14-15H2,(H,28,32)(H,29,31)(H,30,33)
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n/an/a 419n/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]-BH-CCK8 from CCK1 receptor in Sprague-Dawley rat pancreatic acini after 120 hrs by gamma-counting


J Med Chem 54: 5769-85 (2011)


Article DOI: 10.1021/jm200438b
BindingDB Entry DOI: 10.7270/Q2BP036J
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50360278
PNG
(CHEMBL1933109)
Show SMILES OC(=O)C(CCc1ccccc1)C(=O)Nc1ccccc1NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C26H23N3O4/c30-24(19(26(32)33)15-14-17-8-2-1-3-9-17)28-21-12-6-7-13-22(21)29-25(31)23-16-18-10-4-5-11-20(18)27-23/h1-13,16,19,27H,14-15H2,(H,28,30)(H,29,31)(H,32,33)
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n/an/a 717n/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]-BH-CCK8 from CCK1 receptor in Sprague-Dawley rat pancreatic acini after 120 hrs by gamma-counting


J Med Chem 54: 5769-85 (2011)


Article DOI: 10.1021/jm200438b
BindingDB Entry DOI: 10.7270/Q2BP036J
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha inhibitor


(Homo sapiens (Human))
BDBM50580321
PNG
(CHEMBL5091848)
Show SMILES CCCCCCCCCSc1ncc(C(O)=O)c(=O)[nH]1
PDB

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n/an/a 4.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FIH using HLEVVKLLLEAGADVNAQDK-CONH2 as substrate preincubated for 15 mins followed by substrate addition and measured after 15 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00605
BindingDB Entry DOI: 10.7270/Q2GQ72N6
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha inhibitor


(Homo sapiens (Human))
BDBM50580322
PNG
(CHEMBL5072902)
Show SMILES OC(=O)c1cnc(SCC2CCCCC2)[nH]c1=O
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n/an/a 7.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FIH using HLEVVKLLLEAGADVNAQDK-CONH2 as substrate preincubated for 15 mins followed by substrate addition and measured after 15 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00605
BindingDB Entry DOI: 10.7270/Q2GQ72N6
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM50580319
PNG
(CHEMBL5083418)
Show SMILES CCCCSc1ncc(C(O)=O)c(=O)[nH]1
PDB

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n/an/a 9.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal His6-tagged KDM4A (M1 to L359 residues) expressed in Escherichia coli using H3K9(Me3) as substrate preincubated for 15...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00605
BindingDB Entry DOI: 10.7270/Q2GQ72N6
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha inhibitor


(Homo sapiens (Human))
BDBM50580320
PNG
(CHEMBL5071002)
Show SMILES CCCCCSc1ncc(C(O)=O)c(=O)[nH]1
PDB

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n/an/a 1.05E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FIH using HLEVVKLLLEAGADVNAQDK-CONH2 as substrate preincubated for 15 mins followed by substrate addition and measured after 15 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00605
BindingDB Entry DOI: 10.7270/Q2GQ72N6
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM50580328
PNG
(CHEMBL5071515)
Show SMILES CCOC(=O)\C=C/Sc1ncc(C(O)=O)c(=O)[nH]1
PDB

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n/an/a 1.12E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal His6-tagged KDM4A (M1 to L359 residues) expressed in Escherichia coli using H3K9(Me3) as substrate preincubated for 15...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00605
BindingDB Entry DOI: 10.7270/Q2GQ72N6
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM50580321
PNG
(CHEMBL5091848)
Show SMILES CCCCCCCCCSc1ncc(C(O)=O)c(=O)[nH]1
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n/an/a 1.34E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal His6-tagged KDM4A (M1 to L359 residues) expressed in Escherichia coli using H3K9(Me3) as substrate preincubated for 15...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00605
BindingDB Entry DOI: 10.7270/Q2GQ72N6
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM50580327
PNG
(CHEMBL5089880)
Show SMILES OC(=O)c1cnc(SCCCCc2ccccc2)[nH]c1=O
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n/an/a 1.43E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal His6-tagged KDM4A (M1 to L359 residues) expressed in Escherichia coli using H3K9(Me3) as substrate preincubated for 15...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00605
BindingDB Entry DOI: 10.7270/Q2GQ72N6
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha inhibitor


(Homo sapiens (Human))
BDBM50580318
PNG
(CHEMBL5089117)
Show SMILES CSc1ncc(C(O)=O)c(=O)[nH]1
PDB

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n/an/a 1.53E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FIH using HLEVVKLLLEAGADVNAQDK-CONH2 as substrate preincubated for 15 mins followed by substrate addition and measured after 15 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00605
BindingDB Entry DOI: 10.7270/Q2GQ72N6
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM50580319
PNG
(CHEMBL5083418)
Show SMILES CCCCSc1ncc(C(O)=O)c(=O)[nH]1
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n/an/a 1.55E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal His6-tagged KDM4D (M1 to G373 residues) expressed in Escherichia coli using H3K9(Me3) as substrate preincubated for 15...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00605
BindingDB Entry DOI: 10.7270/Q2GQ72N6
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha inhibitor


(Homo sapiens (Human))
BDBM50580319
PNG
(CHEMBL5083418)
Show SMILES CCCCSc1ncc(C(O)=O)c(=O)[nH]1
PDB

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n/an/a 1.59E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FIH using HLEVVKLLLEAGADVNAQDK-CONH2 as substrate preincubated for 15 mins followed by substrate addition and measured after 15 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00605
BindingDB Entry DOI: 10.7270/Q2GQ72N6
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM50580320
PNG
(CHEMBL5071002)
Show SMILES CCCCCSc1ncc(C(O)=O)c(=O)[nH]1
PDB

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n/an/a 1.65E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal His6-tagged KDM4A (M1 to L359 residues) expressed in Escherichia coli using H3K9(Me3) as substrate preincubated for 15...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00605
BindingDB Entry DOI: 10.7270/Q2GQ72N6
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM50580318
PNG
(CHEMBL5089117)
Show SMILES CSc1ncc(C(O)=O)c(=O)[nH]1
PDB

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n/an/a 1.76E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal His6-tagged KDM4A (M1 to L359 residues) expressed in Escherichia coli using H3K9(Me3) as substrate preincubated for 15...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00605
BindingDB Entry DOI: 10.7270/Q2GQ72N6
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM50580325
PNG
(CHEMBL5084638)
Show SMILES OC(=O)c1cnc(SCCc2ccccc2)[nH]c1=O
PDB

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n/an/a 1.90E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal His6-tagged KDM4A (M1 to L359 residues) expressed in Escherichia coli using H3K9(Me3) as substrate preincubated for 15...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00605
BindingDB Entry DOI: 10.7270/Q2GQ72N6
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha inhibitor


(Homo sapiens (Human))
BDBM50580327
PNG
(CHEMBL5089880)
Show SMILES OC(=O)c1cnc(SCCCCc2ccccc2)[nH]c1=O
PDB

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n/an/a 1.92E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FIH using HLEVVKLLLEAGADVNAQDK-CONH2 as substrate preincubated for 15 mins followed by substrate addition and measured after 15 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00605
BindingDB Entry DOI: 10.7270/Q2GQ72N6
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha inhibitor


(Homo sapiens (Human))
BDBM50580324
PNG
(CHEMBL5081435)
Show SMILES OC(=O)c1cnc(SCC(=O)c2ccccc2)[nH]c1=O
PDB

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n/an/a 1.94E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FIH using HLEVVKLLLEAGADVNAQDK-CONH2 as substrate preincubated for 15 mins followed by substrate addition and measured after 15 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00605
BindingDB Entry DOI: 10.7270/Q2GQ72N6
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM50580321
PNG
(CHEMBL5091848)
Show SMILES CCCCCCCCCSc1ncc(C(O)=O)c(=O)[nH]1
PDB

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n/an/a 1.98E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal His6-tagged KDM4D (M1 to G373 residues) expressed in Escherichia coli using H3K9(Me3) as substrate preincubated for 15...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00605
BindingDB Entry DOI: 10.7270/Q2GQ72N6
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha inhibitor


(Homo sapiens (Human))
BDBM50580323
PNG
(CHEMBL5076580)
Show SMILES OC(=O)c1cnc(SCc2ccccc2)[nH]c1=O
PDB

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n/an/a 2.02E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FIH using HLEVVKLLLEAGADVNAQDK-CONH2 as substrate preincubated for 15 mins followed by substrate addition and measured after 15 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00605
BindingDB Entry DOI: 10.7270/Q2GQ72N6
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM50580322
PNG
(CHEMBL5072902)
Show SMILES OC(=O)c1cnc(SCC2CCCCC2)[nH]c1=O
PDB

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n/an/a 2.08E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal His6-tagged KDM4A (M1 to L359 residues) expressed in Escherichia coli using H3K9(Me3) as substrate preincubated for 15...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00605
BindingDB Entry DOI: 10.7270/Q2GQ72N6
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM50580319
PNG
(CHEMBL5083418)
Show SMILES CCCCSc1ncc(C(O)=O)c(=O)[nH]1
PDB

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n/an/a 2.15E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal His6-tagged KDM5B (L882 to S1761 residues) expressed in insect cells using H3K4(Me3) as substrate preincubated for 15 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00605
BindingDB Entry DOI: 10.7270/Q2GQ72N6
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM50580328
PNG
(CHEMBL5071515)
Show SMILES CCOC(=O)\C=C/Sc1ncc(C(O)=O)c(=O)[nH]1
PDB

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n/an/a 2.20E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal His6-tagged KDM4D (M1 to G373 residues) expressed in Escherichia coli using H3K9(Me3) as substrate preincubated for 15...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00605
BindingDB Entry DOI: 10.7270/Q2GQ72N6
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50481871
PNG
(CHEMBL1076181)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1c1cccs1 |r|
Show InChI InChI=1S/C14H14ClNO2S2/c15-11-5-7-12(8-6-11)20(17,18)16-9-1-3-13(16)14-4-2-10-19-14/h2,4-8,10,13H,1,3,9H2/t13-/m0/s1
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n/an/a 2.22E+4n/an/an/an/an/an/a



Universita degli Studi di Perugia

Curated by ChEMBL


Assay Description
Blockade of L-type calcium channel in Wistar rat cardiomyocytes assessed as inhibition of peak L-type barium current by whole cell patch clamp method


J Med Chem 52: 6637-48 (2009)


Article DOI: 10.1021/jm9008696
BindingDB Entry DOI: 10.7270/Q2K35XG8
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM50580321
PNG
(CHEMBL5091848)
Show SMILES CCCCCCCCCSc1ncc(C(O)=O)c(=O)[nH]1
PDB

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n/an/a 2.26E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal His6-tagged KDM5B (L882 to S1761 residues) expressed in insect cells using H3K4(Me3) as substrate preincubated for 15 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00605
BindingDB Entry DOI: 10.7270/Q2GQ72N6
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50481872
PNG
(CHEMBL1076546)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1CCCC1c1cccs1
Show InChI InChI=1S/C14H14ClNO2S2/c15-11-5-7-12(8-6-11)20(17,18)16-9-1-3-13(16)14-4-2-10-19-14/h2,4-8,10,13H,1,3,9H2
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n/an/a 2.35E+4n/an/an/an/an/an/a



Universita degli Studi di Perugia

Curated by ChEMBL


Assay Description
Blockade of L-type calcium channel in Wistar rat cardiomyocytes assessed as inhibition of peak L-type barium current by whole cell patch clamp method


J Med Chem 52: 6637-48 (2009)


Article DOI: 10.1021/jm9008696
BindingDB Entry DOI: 10.7270/Q2K35XG8
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha inhibitor


(Homo sapiens (Human))
BDBM50580325
PNG
(CHEMBL5084638)
Show SMILES OC(=O)c1cnc(SCCc2ccccc2)[nH]c1=O
PDB

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n/an/a 2.38E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FIH using HLEVVKLLLEAGADVNAQDK-CONH2 as substrate preincubated for 15 mins followed by substrate addition and measured after 15 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00605
BindingDB Entry DOI: 10.7270/Q2GQ72N6
More data for this
Ligand-Target Pair
Lysine-specific demethylase 2A


(Homo sapiens (Human))
BDBM50580319
PNG
(CHEMBL5083418)
Show SMILES CCCCSc1ncc(C(O)=O)c(=O)[nH]1
PDB

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n/an/a 2.42E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal His6-tagged KDM2A (M1 to P517 residues) expressed in insect cells using H3K36(Me2) as substrate preincubated for 15 mi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00605
BindingDB Entry DOI: 10.7270/Q2GQ72N6
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM50580323
PNG
(CHEMBL5076580)
Show SMILES OC(=O)c1cnc(SCc2ccccc2)[nH]c1=O
PDB

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n/an/a 2.46E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal His6-tagged KDM4A (M1 to L359 residues) expressed in Escherichia coli using H3K9(Me3) as substrate preincubated for 15...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00605
BindingDB Entry DOI: 10.7270/Q2GQ72N6
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM50580327
PNG
(CHEMBL5089880)
Show SMILES OC(=O)c1cnc(SCCCCc2ccccc2)[nH]c1=O
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.60E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal His6-tagged KDM4D (M1 to G373 residues) expressed in Escherichia coli using H3K9(Me3) as substrate preincubated for 15...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00605
BindingDB Entry DOI: 10.7270/Q2GQ72N6
More data for this
Ligand-Target Pair
Lysine-specific demethylase 3B


(Homo sapiens (Human))
BDBM50580328
PNG
(CHEMBL5071515)
Show SMILES CCOC(=O)\C=C/Sc1ncc(C(O)=O)c(=O)[nH]1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.67E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal His6-tagged KDM3B (L882 to S1761 residues) expressed in insect cells using H3K9(Me2) as substrate preincubated for 15 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00605
BindingDB Entry DOI: 10.7270/Q2GQ72N6
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM50580324
PNG
(CHEMBL5081435)
Show SMILES OC(=O)c1cnc(SCC(=O)c2ccccc2)[nH]c1=O
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 2.67E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal His6-tagged KDM4D (M1 to G373 residues) expressed in Escherichia coli using H3K9(Me3) as substrate preincubated for 15...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00605
BindingDB Entry DOI: 10.7270/Q2GQ72N6
More data for this
Ligand-Target Pair
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