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PubMed code 16610788

Compile data set for download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
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))
BDBM50185261
PNG
(4-(3,4-dichlorobenzamido)-5-((3-methoxypropyl)(pen...)
Show SMILES CCCCCN(CCCOC)C(=O)C(CCC(O)=O)NC(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H30Cl2N2O5/c1-3-4-5-11-25(12-6-13-30-2)21(29)18(9-10-19(26)27)24-20(28)15-7-8-16(22)17(23)14-15/h7-8,14,18H,3-6,9-13H2,1-2H3,(H,24,28)(H,26,27)
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Article
PubMed
n/an/a 195n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Displacement of [111In]-DTPAGlu-Gly-[Tyr27(SO3)]-CCK8 from human CCK1 receptor in A431 cells


J Med Chem 49: 2456-62 (2006)


Article DOI: 10.1021/jm051050n
BindingDB Entry DOI: 10.7270/Q2Q81CPS
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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PubMed
n/an/a 197n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Displacement of [111In]-DTPAGlu-Gly-[Tyr27(SO3)]-CCK8 from human CCK1 receptor in A431 cells


J Med Chem 49: 2456-62 (2006)


Article DOI: 10.1021/jm051050n
BindingDB Entry DOI: 10.7270/Q2Q81CPS
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))
BDBM50185259
PNG
(2(R,S)-{2-[(1H-indole-2-carbonyl)amino]-benzoylami...)
Show SMILES CC(NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1)C(O)=O
Show InChI InChI=1S/C19H17N3O4/c1-11(19(25)26)20-17(23)13-7-3-5-9-15(13)22-18(24)16-10-12-6-2-4-8-14(12)21-16/h2-11,21H,1H3,(H,20,23)(H,22,24)(H,25,26)
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PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Displacement of [111In]-DTPAGlu-Gly-[Tyr27(SO3)]-CCK8 from human CCK1 receptor in A431 cells


J Med Chem 49: 2456-62 (2006)


Article DOI: 10.1021/jm051050n
BindingDB Entry DOI: 10.7270/Q2Q81CPS
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))
BDBM50185260
PNG
((+/-)-2-(2-cinnamamidobenzamido)-3-phenylpropanoic...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C25H22N2O4/c28-23(16-15-18-9-3-1-4-10-18)26-21-14-8-7-13-20(21)24(29)27-22(25(30)31)17-19-11-5-2-6-12-19/h1-16,22H,17H2,(H,26,28)(H,27,29)(H,30,31)/b16-15+
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PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Displacement of [111In]-DTPAGlu-Gly-[Tyr27(SO3)]-CCK8 from human CCK1 receptor in A431 cells


J Med Chem 49: 2456-62 (2006)


Article DOI: 10.1021/jm051050n
BindingDB Entry DOI: 10.7270/Q2Q81CPS
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))
BDBM50185263
PNG
(2(R,S)-{2-[(2-acetylaminocinnamoyl)amino]benzoylam...)
Show SMILES CC(=O)N\C(=C\c1ccccc1)C(=O)Nc1ccccc1C(=O)NC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C27H25N3O5/c1-18(31)28-23(16-19-10-4-2-5-11-19)26(33)29-22-15-9-8-14-21(22)25(32)30-24(27(34)35)17-20-12-6-3-7-13-20/h2-16,24H,17H2,1H3,(H,28,31)(H,29,33)(H,30,32)(H,34,35)/b23-16+
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PubMed
n/an/a 1.27E+4n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Displacement of [111In]-DTPAGlu-Gly-[Tyr27(SO3)]-CCK8 from human CCK1 receptor in A431 cells


J Med Chem 49: 2456-62 (2006)


Article DOI: 10.1021/jm051050n
BindingDB Entry DOI: 10.7270/Q2Q81CPS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%