BindingDB logo
myBDB logout

BDBM82393 CCK antagonist synthetic 9

SMILES: Fc1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccccc12

InChI Key: InChIKey=MYGYSHBRXCCKPY-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 = 82393   
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)
BDBM82393
PNG
(CCK antagonist synthetic 9)
Show SMILES Fc1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccccc12 |t:8|
Show InChI InChI=1S/C24H18FN3O/c25-19-10-4-1-8-17(19)23-18-9-3-6-12-21(18)28-24(29)22(27-23)13-15-14-26-20-11-5-2-7-16(15)20/h1-12,14,22,26H,13H2,(H,28,29)/t22-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
500n/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)
BDBM82393
PNG
(CCK antagonist synthetic 9)
Show SMILES Fc1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccccc12 |t:8|
Show InChI InChI=1S/C24H18FN3O/c25-19-10-4-1-8-17(19)23-18-9-3-6-12-21(18)28-24(29)22(27-23)13-15-14-26-20-11-5-2-7-16(15)20/h1-12,14,22,26H,13H2,(H,28,29)/t22-/m1/s1
PDB

KEGG

UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>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))
BDBM82393
PNG
(CCK antagonist synthetic 9)
Show SMILES Fc1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccccc12 |t:8|
Show InChI InChI=1S/C24H18FN3O/c25-19-10-4-1-8-17(19)23-18-9-3-6-12-21(18)28-24(29)22(27-23)13-15-14-26-20-11-5-2-7-16(15)20/h1-12,14,22,26H,13H2,(H,28,29)/t22-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 4.00E+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)
BDBM82393
PNG
(CCK antagonist synthetic 9)
Show SMILES Fc1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccccc12 |t:8|
Show InChI InChI=1S/C24H18FN3O/c25-19-10-4-1-8-17(19)23-18-9-3-6-12-21(18)28-24(29)22(27-23)13-15-14-26-20-11-5-2-7-16(15)20/h1-12,14,22,26H,13H2,(H,28,29)/t22-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 500n/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)
BDBM82393
PNG
(CCK antagonist synthetic 9)
Show SMILES Fc1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccccc12 |t:8|
Show InChI InChI=1S/C24H18FN3O/c25-19-10-4-1-8-17(19)23-18-9-3-6-12-21(18)28-24(29)22(27-23)13-15-14-26-20-11-5-2-7-16(15)20/h1-12,14,22,26H,13H2,(H,28,29)/t22-/m1/s1
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 8.00E+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