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Compile Data Set for Download or QSAR

Found 200 hits with Last Name = 'hadjipavlou-litina' and Initial = 'd'   
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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50448214
PNG
(CHEMBL3120707)
Show SMILES COc1cc(cc(OC)c1OC)C1c2ccc(O)cc2Oc2nc3CCCCc3c(N)c12
Show InChI InChI=1S/C25H26N2O5/c1-29-19-10-13(11-20(30-2)24(19)31-3)21-16-9-8-14(28)12-18(16)32-25-22(21)23(26)15-6-4-5-7-17(15)27-25/h8-12,21,28H,4-7H2,1-3H3,(H2,26,27)
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47n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid (UCM)

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of electric eel AchE using acetylcholine as substrate preincubated for 15 mins followed by substrate addition measured for ...


Eur J Med Chem 74: 491-501 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.021
BindingDB Entry DOI: 10.7270/Q2G73G60
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50349614
PNG
(CHEMBL1808954)
Show SMILES CCOC(=O)C(=O)N(Cc1cc(F)cc(F)c1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1
Show InChI InChI=1S/C29H30F2N4O5/c1-4-38-28(37)27(36)35(15-18-11-20(30)13-21(31)12-18)22-7-10-25-24(14-22)34(3)16-29(2,40-25)17-39-23-8-5-19(6-9-23)26(32)33/h5-14H,4,15-17H2,1-3H3,(H3,32,33)
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290n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate after 15 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 4705-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.089
BindingDB Entry DOI: 10.7270/Q2445MTB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50349611
PNG
(CHEMBL1808951 | CHEMBL2216905)
Show SMILES CCOC(=O)C(=O)N(Cc1cccc(F)c1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1
Show InChI InChI=1S/C29H31FN4O5/c1-4-37-28(36)27(35)34(16-19-6-5-7-21(30)14-19)22-10-13-25-24(15-22)33(3)17-29(2,39-25)18-38-23-11-8-20(9-12-23)26(31)32/h5-15H,4,16-18H2,1-3H3,(H3,31,32)
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300n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate after 15 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 4705-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.089
BindingDB Entry DOI: 10.7270/Q2445MTB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50349616
PNG
(CHEMBL1808956)
Show SMILES CCOC(=O)CN(Cc1ccc(F)cc1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1
Show InChI InChI=1S/C29H33FN4O4/c1-4-36-27(35)17-34(16-20-5-9-22(30)10-6-20)23-11-14-25-26(15-23)38-29(2,18-33(25)3)19-37-24-12-7-21(8-13-24)28(31)32/h5-15H,4,16-19H2,1-3H3,(H3,31,32)
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310n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate after 15 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 4705-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.089
BindingDB Entry DOI: 10.7270/Q2445MTB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50349612
PNG
(CHEMBL1808952)
Show SMILES CCOC(=O)C(=O)N(Cc1ccc(F)cc1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1
Show InChI InChI=1S/C29H31FN4O5/c1-4-37-28(36)27(35)34(16-19-5-9-21(30)10-6-19)22-11-14-25-24(15-22)33(3)17-29(2,39-25)18-38-23-12-7-20(8-13-23)26(31)32/h5-15H,4,16-18H2,1-3H3,(H3,31,32)
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330n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate after 15 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 4705-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.089
BindingDB Entry DOI: 10.7270/Q2445MTB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50349615
PNG
(CHEMBL1808955)
Show SMILES CCOC(=O)CN(Cc1cccc(F)c1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1
Show InChI InChI=1S/C29H33FN4O4/c1-4-36-27(35)17-34(16-20-6-5-7-22(30)14-20)23-10-13-25-26(15-23)38-29(2,18-33(25)3)19-37-24-11-8-21(9-12-24)28(31)32/h5-15H,4,16-19H2,1-3H3,(H3,31,32)
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350n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate after 15 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 4705-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.089
BindingDB Entry DOI: 10.7270/Q2445MTB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50349613
PNG
(CHEMBL1808953)
Show SMILES CCOC(=O)C(=O)N(Cc1ccc(F)c(F)c1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1
Show InChI InChI=1S/C29H30F2N4O5/c1-4-38-28(37)27(36)35(15-18-5-11-22(30)23(31)13-18)20-8-12-25-24(14-20)34(3)16-29(2,40-25)17-39-21-9-6-19(7-10-21)26(32)33/h5-14H,4,15-17H2,1-3H3,(H3,32,33)
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370n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate after 15 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 4705-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.089
BindingDB Entry DOI: 10.7270/Q2445MTB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50349617
PNG
(CHEMBL1808957)
Show SMILES CCOC(=O)CN(Cc1ccc(F)c(F)c1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1
Show InChI InChI=1S/C29H32F2N4O4/c1-4-37-27(36)16-35(15-19-5-11-23(30)24(31)13-19)21-8-12-25-26(14-21)39-29(2,17-34(25)3)18-38-22-9-6-20(7-10-22)28(32)33/h5-14H,4,15-18H2,1-3H3,(H3,32,33)
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430n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate after 15 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 4705-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.089
BindingDB Entry DOI: 10.7270/Q2445MTB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50349618
PNG
(CHEMBL1808958)
Show SMILES CCOC(=O)CN(Cc1cc(F)cc(F)c1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1
Show InChI InChI=1S/C29H32F2N4O4/c1-4-37-27(36)16-35(15-19-11-21(30)13-22(31)12-19)23-7-10-25-26(14-23)39-29(2,17-34(25)3)18-38-24-8-5-20(6-9-24)28(32)33/h5-14H,4,15-18H2,1-3H3,(H3,32,33)
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480n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate after 15 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 4705-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.089
BindingDB Entry DOI: 10.7270/Q2445MTB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50349609
PNG
(CHEMBL1808949)
Show SMILES CCOC(=O)CN(Cc1ccc(F)c(F)c1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1
Show InChI InChI=1S/C29H32F2N4O4/c1-4-37-27(36)16-35(15-19-5-11-23(30)24(31)13-19)21-8-12-26-25(14-21)34(3)17-29(2,39-26)18-38-22-9-6-20(7-10-22)28(32)33/h5-14H,4,15-18H2,1-3H3,(H3,32,33)
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660n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate after 15 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 4705-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.089
BindingDB Entry DOI: 10.7270/Q2445MTB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50349608
PNG
(CHEMBL1808948)
Show SMILES CCOC(=O)CN(Cc1ccc(F)cc1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1
Show InChI InChI=1S/C29H33FN4O4/c1-4-36-27(35)17-34(16-20-5-9-22(30)10-6-20)23-11-14-26-25(15-23)33(3)18-29(2,38-26)19-37-24-12-7-21(8-13-24)28(31)32/h5-15H,4,16-19H2,1-3H3,(H3,31,32)
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690n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate after 15 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 4705-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.089
BindingDB Entry DOI: 10.7270/Q2445MTB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50349607
PNG
(CHEMBL1808947)
Show SMILES CCOC(=O)CN(Cc1cccc(F)c1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1
Show InChI InChI=1S/C29H33FN4O4/c1-4-36-27(35)17-34(16-20-6-5-7-22(30)14-20)23-10-13-26-25(15-23)33(3)18-29(2,38-26)19-37-24-11-8-21(9-12-24)28(31)32/h5-15H,4,16-19H2,1-3H3,(H3,31,32)
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900n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate after 15 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 4705-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.089
BindingDB Entry DOI: 10.7270/Q2445MTB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50349610
PNG
(CHEMBL1808950)
Show SMILES CCOC(=O)CN(Cc1cc(F)cc(F)c1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1
Show InChI InChI=1S/C29H32F2N4O4/c1-4-37-27(36)16-35(15-19-11-21(30)13-22(31)12-19)23-7-10-26-25(14-23)34(3)17-29(2,39-26)18-38-24-8-5-20(6-9-24)28(32)33/h5-14H,4,15-18H2,1-3H3,(H3,32,33)
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950n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate after 15 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 4705-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.089
BindingDB Entry DOI: 10.7270/Q2445MTB
More data for this
Ligand-Target Pair
Monoglyceride lipase (MGL)


(Rattus norvegicus (Rat))
BDBM50274152
PNG
((2S,9Z)-octadec-9-ene-1,2-diamine dihydrochloride ...)
Show SMILES CCCCCCCC\C=C/CCCCCC[C@H](N)CN |r|
Show InChI InChI=1S/C18H38N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17-19/h9-10,18H,2-8,11-17,19-20H2,1H3/b10-9-/t18-/m0/s1
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2.18E+4n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat MGL


Bioorg Med Chem Lett 18: 5424-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.039
BindingDB Entry DOI: 10.7270/Q2VM4C30
More data for this
Ligand-Target Pair
Monoglyceride lipase (MGL)


(Rattus norvegicus (Rat))
BDBM50274153
PNG
((2R,9Z)-octadec-9-ene-1,2-diamine dihydrochloride ...)
Show SMILES CCCCCCCC\C=C/CCCCCC[C@@H](N)CN |r|
Show InChI InChI=1S/C18H38N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17-19/h9-10,18H,2-8,11-17,19-20H2,1H3/b10-9-/t18-/m1/s1
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3.90E+4n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat MGL


Bioorg Med Chem Lett 18: 5424-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.039
BindingDB Entry DOI: 10.7270/Q2VM4C30
More data for this
Ligand-Target Pair
Monoglyceride lipase (MGL)


(Rattus norvegicus (Rat))
BDBM50274151
PNG
(CHEMBL473249 | hexadecane-1,2-diamine dihydrochlor...)
Show SMILES CCCCCCCCCCCCCCC(N)CN
Show InChI InChI=1S/C16H36N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17/h16H,2-15,17-18H2,1H3
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5.87E+4n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat MGL


Bioorg Med Chem Lett 18: 5424-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.039
BindingDB Entry DOI: 10.7270/Q2VM4C30
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50448218
PNG
(CHEMBL3120710)
Show SMILES Nc1c2CCCCc2nc2Oc3cc(O)ccc3C(c3ccc(Br)cc3)c12
Show InChI InChI=1S/C22H19BrN2O2/c23-13-7-5-12(6-8-13)19-16-10-9-14(26)11-18(16)27-22-20(19)21(24)15-3-1-2-4-17(15)25-22/h5-11,19,26H,1-4H2,(H2,24,25)
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n/an/a 7n/an/an/an/an/an/a



Universidad Complutense de Madrid (UCM)

Curated by ChEMBL


Assay Description
Inhibition of electric eel AchE using acetylcholine as substrate preincubated for 15 mins followed by substrate addition measured for 5 mins by Ellma...


Eur J Med Chem 74: 491-501 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.021
BindingDB Entry DOI: 10.7270/Q2G73G60
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM13065
PNG
(5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluor...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C17H12ClF3N2O/c1-24-14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3
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n/an/a 7.80n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of COX1


Eur J Med Chem 46: 191-200 (2010)


Article DOI: 10.1016/j.ejmech.2010.10.035
BindingDB Entry DOI: 10.7270/Q2XD11ZG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50359885
PNG
(CHEMBL409741)
Show SMILES Clc1ccccc1\C=C1/S\C(NC1=O)=N\c1nc2ccccc2s1
Show InChI InChI=1S/C17H10ClN3OS2/c18-11-6-2-1-5-10(11)9-14-15(22)20-17(24-14)21-16-19-12-7-3-4-8-13(12)23-16/h1-9H,(H,19,20,21,22)/b14-9-
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n/an/a 18n/an/an/an/an/an/a



Alexander Technological Education Institute of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as PGF2alpha production by enzyme immunoassay


Eur J Med Chem 47: 111-24 (2012)


Article DOI: 10.1016/j.ejmech.2011.10.029
BindingDB Entry DOI: 10.7270/Q2K937ZK
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 40n/an/an/an/an/an/a



Universidad Complutense de Madrid (UCM)

Curated by ChEMBL


Assay Description
Inhibition of electric eel AchE using acetylcholine as substrate preincubated for 15 mins followed by substrate addition measured for 5 mins by Ellma...


Eur J Med Chem 74: 491-501 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.021
BindingDB Entry DOI: 10.7270/Q2G73G60
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50448214
PNG
(CHEMBL3120707)
Show SMILES COc1cc(cc(OC)c1OC)C1c2ccc(O)cc2Oc2nc3CCCCc3c(N)c12
Show InChI InChI=1S/C25H26N2O5/c1-29-19-10-13(11-20(30-2)24(19)31-3)21-16-9-8-14(28)12-18(16)32-25-22(21)23(26)15-6-4-5-7-17(15)27-25/h8-12,21,28H,4-7H2,1-3H3,(H2,26,27)
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n/an/a 41n/an/an/an/an/an/a



Universidad Complutense de Madrid (UCM)

Curated by ChEMBL


Assay Description
Inhibition of electric eel AchE using acetylcholine as substrate preincubated for 15 mins followed by substrate addition measured for 5 mins by Ellma...


Eur J Med Chem 74: 491-501 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.021
BindingDB Entry DOI: 10.7270/Q2G73G60
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50298593
PNG
((R)-2-(2-(7-fluoro-1H-indole-2-carboxamido)benzami...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2cccc(F)c2[nH]1 |r|
Show InChI InChI=1S/C25H20FN3O4/c26-18-11-6-9-16-14-20(27-22(16)18)24(31)28-19-12-5-4-10-17(19)23(30)29-21(25(32)33)13-15-7-2-1-3-8-15/h1-12,14,21,27H,13H2,(H,28,31)(H,29,30)(H,32,33)/t21-/m1/s1
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n/an/a 55n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50448216
PNG
(CHEMBL3120708)
Show SMILES Cc1ccc(cc1)C1c2ccc(O)cc2Oc2nc3CCCCc3c(N)c12
Show InChI InChI=1S/C23H22N2O2/c1-13-6-8-14(9-7-13)20-17-11-10-15(26)12-19(17)27-23-21(20)22(24)16-4-2-3-5-18(16)25-23/h6-12,20,26H,2-5H2,1H3,(H2,24,25)
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n/an/a 65n/an/an/an/an/an/a



Universidad Complutense de Madrid (UCM)

Curated by ChEMBL


Assay Description
Inhibition of electric eel AchE using acetylcholine as substrate preincubated for 15 mins followed by substrate addition measured for 5 mins by Ellma...


Eur J Med Chem 74: 491-501 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.021
BindingDB Entry DOI: 10.7270/Q2G73G60
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 100n/an/an/an/an/an/a



Alexander Technological Education Institute of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as PGF2alpha production by enzyme immunoassay


Eur J Med Chem 47: 111-24 (2012)


Article DOI: 10.1016/j.ejmech.2011.10.029
BindingDB Entry DOI: 10.7270/Q2K937ZK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50448219
PNG
(CHEMBL3120712)
Show SMILES Nc1c2CCCCc2nc2Oc3cc(O)ccc3C(c3ccc(F)cc3)c12
Show InChI InChI=1S/C22H19FN2O2/c23-13-7-5-12(6-8-13)19-16-10-9-14(26)11-18(16)27-22-20(19)21(24)15-3-1-2-4-17(15)25-22/h5-11,19,26H,1-4H2,(H2,24,25)
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n/an/a 103n/an/an/an/an/an/a



Universidad Complutense de Madrid (UCM)

Curated by ChEMBL


Assay Description
Inhibition of electric eel AchE using acetylcholine as substrate preincubated for 15 mins followed by substrate addition measured for 5 mins by Ellma...


Eur J Med Chem 74: 491-501 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.021
BindingDB Entry DOI: 10.7270/Q2G73G60
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50298576
PNG
((R)-2-(2-(1H-indole-2-carboxamido)benzamido)-3-phe...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 |r|
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)/t22-/m1/s1
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n/an/a 106n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50298589
PNG
((R)-2-(2-(5-fluoro-1H-indole-2-carboxamido)benzami...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2cc(F)ccc2[nH]1 |r|
Show InChI InChI=1S/C25H20FN3O4/c26-17-10-11-19-16(13-17)14-21(27-19)24(31)28-20-9-5-4-8-18(20)23(30)29-22(25(32)33)12-15-6-2-1-3-7-15/h1-11,13-14,22,27H,12H2,(H,28,31)(H,29,30)(H,32,33)/t22-/m1/s1
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n/an/a 151n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50298592
PNG
((+/-)-2-(2-(7-fluoro-1H-indole-2-carboxamido)benza...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2cccc(F)c2[nH]1
Show InChI InChI=1S/C25H20FN3O4/c26-18-11-6-9-16-14-20(27-22(16)18)24(31)28-19-12-5-4-10-17(19)23(30)29-21(25(32)33)13-15-7-2-1-3-8-15/h1-12,14,21,27H,13H2,(H,28,31)(H,29,30)(H,32,33)
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n/an/a 159n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(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



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50448215
PNG
(CHEMBL3120706)
Show SMILES CN(C)c1ccc(cc1)C1c2ccc(O)cc2Oc2nc3CCCCc3c(N)c12
Show InChI InChI=1S/C24H25N3O2/c1-27(2)15-9-7-14(8-10-15)21-18-12-11-16(28)13-20(18)29-24-22(21)23(25)17-5-3-4-6-19(17)26-24/h7-13,21,28H,3-6H2,1-2H3,(H2,25,26)
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n/an/a 290n/an/an/an/an/an/a



Universidad Complutense de Madrid (UCM)

Curated by ChEMBL


Assay Description
Inhibition of electric eel AchE using acetylcholine as substrate preincubated for 15 mins followed by substrate addition measured for 5 mins by Ellma...


Eur J Med Chem 74: 491-501 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.021
BindingDB Entry DOI: 10.7270/Q2G73G60
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50298591
PNG
((+/-)-2-(2-(6-fluoro-1H-indole-2-carboxamido)benza...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccc(F)cc2[nH]1
Show InChI InChI=1S/C25H20FN3O4/c26-17-11-10-16-13-21(27-20(16)14-17)24(31)28-19-9-5-4-8-18(19)23(30)29-22(25(32)33)12-15-6-2-1-3-7-15/h1-11,13-14,22,27H,12H2,(H,28,31)(H,29,30)(H,32,33)
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n/an/a 294n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50359883
PNG
(CHEMBL407152)
Show SMILES [O-][N+](=O)c1cccc(\C=C2/S\C(NC2=O)=N\c2nc3ccccc3s2)c1
Show InChI InChI=1S/C17H10N4O3S2/c22-15-14(9-10-4-3-5-11(8-10)21(23)24)26-17(19-15)20-16-18-12-6-1-2-7-13(12)25-16/h1-9H,(H,18,19,20,22)/b14-9-
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n/an/a 310n/an/an/an/an/an/a



Alexander Technological Education Institute of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as PGF2alpha production by enzyme immunoassay


Eur J Med Chem 47: 111-24 (2012)


Article DOI: 10.1016/j.ejmech.2011.10.029
BindingDB Entry DOI: 10.7270/Q2K937ZK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50359887
PNG
(CHEMBL259902)
Show SMILES Clc1ccc(\C=C2/S\C(NC2=O)=N\c2nc3ccccc3s2)cc1
Show InChI InChI=1S/C17H10ClN3OS2/c18-11-7-5-10(6-8-11)9-14-15(22)20-17(24-14)21-16-19-12-3-1-2-4-13(12)23-16/h1-9H,(H,19,20,21,22)/b14-9-
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n/an/a 310n/an/an/an/an/an/a



Alexander Technological Education Institute of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as PGF2alpha production by enzyme immunoassay


Eur J Med Chem 47: 111-24 (2012)


Article DOI: 10.1016/j.ejmech.2011.10.029
BindingDB Entry DOI: 10.7270/Q2K937ZK
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50298588
PNG
((+/-)-2-(2-(5-fluoro-1H-indole-2-carboxamido)benza...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2cc(F)ccc2[nH]1
Show InChI InChI=1S/C25H20FN3O4/c26-17-10-11-19-16(13-17)14-21(27-19)24(31)28-20-9-5-4-8-18(20)23(30)29-22(25(32)33)12-15-6-2-1-3-7-15/h1-11,13-14,22,27H,12H2,(H,28,31)(H,29,30)(H,32,33)
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n/an/a 314n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50298579
PNG
((+/-)-2-(2-(1-methyl-1H-indole-2-carboxamido)benza...)
Show SMILES Cn1c(cc2ccccc12)C(=O)Nc1ccccc1C(=O)NC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C26H23N3O4/c1-29-22-14-8-5-11-18(22)16-23(29)25(31)27-20-13-7-6-12-19(20)24(30)28-21(26(32)33)15-17-9-3-2-4-10-17/h2-14,16,21H,15H2,1H3,(H,27,31)(H,28,30)(H,32,33)
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Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50359884
PNG
(CHEMBL409276)
Show SMILES [O-][N+](=O)c1ccc(\C=C2/S\C(NC2=O)=N\c2nc3ccccc3s2)cc1
Show InChI InChI=1S/C17H10N4O3S2/c22-15-14(9-10-5-7-11(8-6-10)21(23)24)26-17(19-15)20-16-18-12-3-1-2-4-13(12)25-16/h1-9H,(H,18,19,20,22)/b14-9-
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n/an/a 510n/an/an/an/an/an/a



Alexander Technological Education Institute of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as PGF2alpha production by enzyme immunoassay


Eur J Med Chem 47: 111-24 (2012)


Article DOI: 10.1016/j.ejmech.2011.10.029
BindingDB Entry DOI: 10.7270/Q2K937ZK
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50448217
PNG
(CHEMBL3120709)
Show SMILES COc1ccc(cc1)C1c2ccc(O)cc2Oc2nc3CCCCc3c(N)c12
Show InChI InChI=1S/C23H22N2O3/c1-27-15-9-6-13(7-10-15)20-17-11-8-14(26)12-19(17)28-23-21(20)22(24)16-4-2-3-5-18(16)25-23/h6-12,20,26H,2-5H2,1H3,(H2,24,25)
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n/an/a 530n/an/an/an/an/an/a



Universidad Complutense de Madrid (UCM)

Curated by ChEMBL


Assay Description
Inhibition of electric eel AchE using acetylcholine as substrate preincubated for 15 mins followed by substrate addition measured for 5 mins by Ellma...


Eur J Med Chem 74: 491-501 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.021
BindingDB Entry DOI: 10.7270/Q2G73G60
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50298583
PNG
((+/-)-3-phenyl-2-(2-(7-(trifluoromethyl)-1H-indole...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2cccc(c2[nH]1)C(F)(F)F
Show InChI InChI=1S/C26H20F3N3O4/c27-26(28,29)18-11-6-9-16-14-20(30-22(16)18)24(34)31-19-12-5-4-10-17(19)23(33)32-21(25(35)36)13-15-7-2-1-3-8-15/h1-12,14,21,30H,13H2,(H,31,34)(H,32,33)(H,35,36)
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n/an/a 538n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50448220
PNG
(CHEMBL3120711)
Show SMILES Nc1c2CCCCc2nc2Oc3cc(O)ccc3C(c3ccccc3)c12
Show InChI InChI=1S/C22H20N2O2/c23-21-15-8-4-5-9-17(15)24-22-20(21)19(13-6-2-1-3-7-13)16-11-10-14(25)12-18(16)26-22/h1-3,6-7,10-12,19,25H,4-5,8-9H2,(H2,23,24)
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Universidad Complutense de Madrid (UCM)

Curated by ChEMBL


Assay Description
Inhibition of electric eel AchE using acetylcholine as substrate preincubated for 15 mins followed by substrate addition measured for 5 mins by Ellma...


Eur J Med Chem 74: 491-501 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.021
BindingDB Entry DOI: 10.7270/Q2G73G60
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50298582
PNG
((+/-)-2-(2-(7-methyl-1H-indole-2-carboxamido)benza...)
Show SMILES Cc1cccc2cc([nH]c12)C(=O)Nc1ccccc1C(=O)NC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C26H23N3O4/c1-16-8-7-11-18-15-21(27-23(16)18)25(31)28-20-13-6-5-12-19(20)24(30)29-22(26(32)33)14-17-9-3-2-4-10-17/h2-13,15,22,27H,14H2,1H3,(H,28,31)(H,29,30)(H,32,33)
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n/an/a 671n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50298595
PNG
((+/-)-2-(2-(benzofuran-2-carboxamido)benzamido)-3-...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2o1
Show InChI InChI=1S/C25H20N2O5/c28-23(27-20(25(30)31)14-16-8-2-1-3-9-16)18-11-5-6-12-19(18)26-24(29)22-15-17-10-4-7-13-21(17)32-22/h1-13,15,20H,14H2,(H,26,29)(H,27,28)(H,30,31)
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n/an/a 891n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50298587
PNG
((+/-)-2-(2-(4-fluoro-1H-indole-2-carboxamido)benza...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2c(F)cccc2[nH]1
Show InChI InChI=1S/C25H20FN3O4/c26-18-10-6-12-20-17(18)14-21(27-20)24(31)28-19-11-5-4-9-16(19)23(30)29-22(25(32)33)13-15-7-2-1-3-8-15/h1-12,14,22,27H,13H2,(H,28,31)(H,29,30)(H,32,33)
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n/an/a 937n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50298586
PNG
((+/-)-2-(2-(1-methyl-5-nitro-1H-indole-2-carboxami...)
Show SMILES Cn1c(cc2cc(ccc12)[N+]([O-])=O)C(=O)Nc1ccccc1C(=O)NC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C26H22N4O6/c1-29-22-12-11-18(30(35)36)14-17(22)15-23(29)25(32)27-20-10-6-5-9-19(20)24(31)28-21(26(33)34)13-16-7-3-2-4-8-16/h2-12,14-15,21H,13H2,1H3,(H,27,32)(H,28,31)(H,33,34)
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n/an/a 1.11E+3n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50298596
PNG
((+/-)-2-(2-(benzo[b]thiophene-2-carboxamido)benzam...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2s1
Show InChI InChI=1S/C25H20N2O4S/c28-23(27-20(25(30)31)14-16-8-2-1-3-9-16)18-11-5-6-12-19(18)26-24(29)22-15-17-10-4-7-13-21(17)32-22/h1-13,15,20H,14H2,(H,26,29)(H,27,28)(H,30,31)
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n/an/a 1.12E+3n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50298572
PNG
((+/-)-3-phenyl-2-(2-(4,5,6,7-tetrahydro-1H-indole-...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2CCCCc2[nH]1
Show InChI InChI=1S/C25H25N3O4/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/h1-3,5,7-9,11,13,15,22,26H,4,6,10,12,14H2,(H,27,30)(H,28,29)(H,31,32)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50298584
PNG
((+/-)-2-(2-(5-chloro-1H-indole-2-carboxamido)benza...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C25H20ClN3O4/c26-17-10-11-19-16(13-17)14-21(27-19)24(31)28-20-9-5-4-8-18(20)23(30)29-22(25(32)33)12-15-6-2-1-3-7-15/h1-11,13-14,22,27H,12H2,(H,28,31)(H,29,30)(H,32,33)
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n/an/a 1.84E+3n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50298577
PNG
((+/-)-2-(2-(1H-indole-3-carboxamido)benzamido)-3-p...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C25H21N3O4/c29-23(28-22(25(31)32)14-16-8-2-1-3-9-16)18-11-5-7-13-21(18)27-24(30)19-15-26-20-12-6-4-10-17(19)20/h1-13,15,22,26H,14H2,(H,27,30)(H,28,29)(H,31,32)
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n/an/a 1.87E+3n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50298581
PNG
((+/-)-2-(2-(3-methyl-1H-indole-2-carboxamido)benza...)
Show SMILES Cc1c([nH]c2ccccc12)C(=O)Nc1ccccc1C(=O)NC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C26H23N3O4/c1-16-18-11-5-7-13-20(18)27-23(16)25(31)28-21-14-8-6-12-19(21)24(30)29-22(26(32)33)15-17-9-3-2-4-10-17/h2-14,22,27H,15H2,1H3,(H,28,31)(H,29,30)(H,32,33)
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n/an/a 2.06E+3n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50298599
PNG
((+/-)-2-(2-(1H-indene-2-carboxamido)benzamido)-3-p...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)C1=Cc2ccccc2C1 |t:25|
Show InChI InChI=1S/C26H22N2O4/c29-24(20-15-18-10-4-5-11-19(18)16-20)27-22-13-7-6-12-21(22)25(30)28-23(26(31)32)14-17-8-2-1-3-9-17/h1-13,15,23H,14,16H2,(H,27,29)(H,28,30)(H,31,32)
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n/an/a 2.53E+3n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50298574
PNG
((+/-)-3-phenyl-2-(2-(thiophene-2-carboxamido)benza...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cccs1
Show InChI InChI=1S/C21H18N2O4S/c24-19(23-17(21(26)27)13-14-7-2-1-3-8-14)15-9-4-5-10-16(15)22-20(25)18-11-6-12-28-18/h1-12,17H,13H2,(H,22,25)(H,23,24)(H,26,27)
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n/an/a 2.56E+3n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
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