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BDBM82388 CCK antagonist synthetic 11

SMILES: CN1c2ccccc2C(=N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1ccccc1F

InChI Key: InChIKey=CGBANSGENFERAT-JOCHJYFZSA-N

Data: 2 KI  3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 82388   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cholecystokinin


(RAT)
BDBM82388
PNG
(CCK antagonist synthetic 11)
Show SMILES CN1c2ccccc2C(=N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1ccccc1F |c:9|
Show InChI InChI=1S/C25H20FN3O/c1-29-23-13-7-4-10-19(23)24(18-9-2-5-11-20(18)26)28-22(25(29)30)14-16-15-27-21-12-6-3-8-17(16)21/h2-13,15,22,27H,14H2,1H3/t22-/m1/s1
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Article
PubMed
270n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 83: 4918-22 (1986)


Article DOI: 10.1073/pnas.83.13.4918
BindingDB Entry DOI: 10.7270/Q2445K05
More data for this
Ligand-Target Pair
GABA A Benzodiazepine


(GUINEA PIG)
BDBM82388
PNG
(CCK antagonist synthetic 11)
Show SMILES CN1c2ccccc2C(=N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1ccccc1F |c:9|
Show InChI InChI=1S/C25H20FN3O/c1-29-23-13-7-4-10-19(23)24(18-9-2-5-11-20(18)26)28-22(25(29)30)14-16-15-27-21-12-6-3-8-17(16)21/h2-13,15,22,27H,14H2,1H3/t22-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 83: 4918-22 (1986)


Article DOI: 10.1073/pnas.83.13.4918
BindingDB Entry DOI: 10.7270/Q2445K05
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM82388
PNG
(CCK antagonist synthetic 11)
Show SMILES CN1c2ccccc2C(=N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1ccccc1F |c:9|
Show InChI InChI=1S/C25H20FN3O/c1-29-23-13-7-4-10-19(23)24(18-9-2-5-11-20(18)26)28-22(25(29)30)14-16-15-27-21-12-6-3-8-17(16)21/h2-13,15,22,27H,14H2,1H3/t22-/m1/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [125I]gastrin to guinea pig gastric glands


J Med Chem 30: 1229-39 (1987)


BindingDB Entry DOI: 10.7270/Q2SF2WS2
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM82388
PNG
(CCK antagonist synthetic 11)
Show SMILES CN1c2ccccc2C(=N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1ccccc1F |c:9|
Show InChI InChI=1S/C25H20FN3O/c1-29-23-13-7-4-10-19(23)24(18-9-2-5-11-20(18)26)28-22(25(29)30)14-16-15-27-21-12-6-3-8-17(16)21/h2-13,15,22,27H,14H2,1H3/t22-/m1/s1
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n/an/a 270n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]-CCK-33 binding to rat pancreas cholecystokinin receptor


J Med Chem 30: 1229-39 (1987)


BindingDB Entry DOI: 10.7270/Q2SF2WS2
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM82388
PNG
(CCK antagonist synthetic 11)
Show SMILES CN1c2ccccc2C(=N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1ccccc1F |c:9|
Show InChI InChI=1S/C25H20FN3O/c1-29-23-13-7-4-10-19(23)24(18-9-2-5-11-20(18)26)28-22(25(29)30)14-16-15-27-21-12-6-3-8-17(16)21/h2-13,15,22,27H,14H2,1H3/t22-/m1/s1
PDB
MMDB

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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]CCK-33 binding to guinea pig brain(cortex) cholecystokinin receptor


J Med Chem 30: 1229-39 (1987)


BindingDB Entry DOI: 10.7270/Q2SF2WS2
More data for this
Ligand-Target Pair