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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Cholecystokinin' and Ligand = 'BDBM50061220'   
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


(GUINEA PIG)
BDBM50061220
PNG
(1-((S)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C24H22N4O2/c1-16-9-8-12-18(15-16)25-24(30)27-22-23(29)28(2)20-14-7-6-13-19(20)21(26-22)17-10-4-3-5-11-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database




Eur J Pharmacol 162: 273-80 (1989)


Article DOI: 10.1016/0014-2999(89)90290-2
BindingDB Entry DOI: 10.7270/Q2QF8RB7
More data for this
Ligand-Target Pair
Cholecystokinin


(GUINEA PIG)
BDBM50061220
PNG
(1-((S)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C24H22N4O2/c1-16-9-8-12-18(15-16)25-24(30)27-22-23(29)28(2)20-14-7-6-13-19(20)21(26-22)17-10-4-3-5-11-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m1/s1
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2n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database




Eur J Pharmacol 162: 273-80 (1989)


Article DOI: 10.1016/0014-2999(89)90290-2
BindingDB Entry DOI: 10.7270/Q2QF8RB7
More data for this
Ligand-Target Pair
Cholecystokinin


(GUINEA PIG)
BDBM50061220
PNG
(1-((S)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C24H22N4O2/c1-16-9-8-12-18(15-16)25-24(30)27-22-23(29)28(2)20-14-7-6-13-19(20)21(26-22)17-10-4-3-5-11-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database




Eur J Pharmacol 162: 273-80 (1989)


Article DOI: 10.1016/0014-2999(89)90290-2
BindingDB Entry DOI: 10.7270/Q2QF8RB7
More data for this
Ligand-Target Pair
Cholecystokinin


(GUINEA PIG)
BDBM50061220
PNG
(1-((S)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C24H22N4O2/c1-16-9-8-12-18(15-16)25-24(30)27-22-23(29)28(2)20-14-7-6-13-19(20)21(26-22)17-10-4-3-5-11-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m1/s1
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4.80n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 273: 1015-22 (1995)


BindingDB Entry DOI: 10.7270/Q2QV3K1C
More data for this
Ligand-Target Pair
Cholecystokinin


(GUINEA PIG)
BDBM50061220
PNG
(1-((S)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C24H22N4O2/c1-16-9-8-12-18(15-16)25-24(30)27-22-23(29)28(2)20-14-7-6-13-19(20)21(26-22)17-10-4-3-5-11-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m1/s1
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7.20n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 273: 1015-22 (1995)


BindingDB Entry DOI: 10.7270/Q2QV3K1C
More data for this
Ligand-Target Pair
Cholecystokinin


(GUINEA PIG)
BDBM50061220
PNG
(1-((S)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C24H22N4O2/c1-16-9-8-12-18(15-16)25-24(30)27-22-23(29)28(2)20-14-7-6-13-19(20)21(26-22)17-10-4-3-5-11-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m1/s1
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8.5n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 46: 943-8 (1994)


BindingDB Entry DOI: 10.7270/Q2QR4VMN
More data for this
Ligand-Target Pair
Cholecystokinin


(GUINEA PIG)
BDBM50061220
PNG
(1-((S)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C24H22N4O2/c1-16-9-8-12-18(15-16)25-24(30)27-22-23(29)28(2)20-14-7-6-13-19(20)21(26-22)17-10-4-3-5-11-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m1/s1
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280n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database




Eur J Pharmacol 162: 273-80 (1989)


Article DOI: 10.1016/0014-2999(89)90290-2
BindingDB Entry DOI: 10.7270/Q2QF8RB7
More data for this
Ligand-Target Pair