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BDBM50019218 2-Chloro-N-[5-(2-fluoro-phenyl)-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]-benzamide::2-Chloro-N-[5-(2-fluoro-phenyl)-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]-benzamide: 0.1C4H8O2::CHEMBL73892

SMILES: Fc1ccccc1C1=NC(NC(=O)c2ccccc2Cl)C(=O)Nc2ccccc12

InChI Key: InChIKey=NHJFUOCXYVJTDE-UHFFFAOYNA-N

Data: 4 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 4 hits for monomerid = 50019218   
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 receptor


(Homo sapiens (Human))
BDBM50019218
PNG
(2-Chloro-N-[5-(2-fluoro-phenyl)-2-oxo-2,3-dihydro-...)
Show SMILES Fc1ccccc1C1=NC(NC(=O)c2ccccc2Cl)C(=O)Nc2ccccc12
Show InChI InChI=1/C22H15ClFN3O2/c23-16-10-4-1-7-13(16)21(28)27-20-22(29)25-18-12-6-3-9-15(18)19(26-20)14-8-2-5-11-17(14)24/h1-12,20H,(H,25,29)(H,27,28)
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PC sid
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Article
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


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


J Med Chem 31: 2235-46 (1989)


Article DOI: 10.1021/jm00120a002
BindingDB Entry DOI: 10.7270/Q2PG1S9K
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50019218
PNG
(2-Chloro-N-[5-(2-fluoro-phenyl)-2-oxo-2,3-dihydro-...)
Show SMILES Fc1ccccc1C1=NC(NC(=O)c2ccccc2Cl)C(=O)Nc2ccccc12
Show InChI InChI=1/C22H15ClFN3O2/c23-16-10-4-1-7-13(16)21(28)27-20-22(29)25-18-12-6-3-9-15(18)19(26-20)14-8-2-5-11-17(14)24/h1-12,20H,(H,25,29)(H,27,28)
PDB
MMDB

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Article
PubMed
n/an/a>4.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]-CCK-8(+) binding to cholecystokinin receptor from guinea pig brain tissue


J Med Chem 31: 2235-46 (1989)


Article DOI: 10.1021/jm00120a002
BindingDB Entry DOI: 10.7270/Q2PG1S9K
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50019218
PNG
(2-Chloro-N-[5-(2-fluoro-phenyl)-2-oxo-2,3-dihydro-...)
Show SMILES Fc1ccccc1C1=NC(NC(=O)c2ccccc2Cl)C(=O)Nc2ccccc12
Show InChI InChI=1/C22H15ClFN3O2/c23-16-10-4-1-7-13(16)21(28)27-20-22(29)25-18-12-6-3-9-15(18)19(26-20)14-8-2-5-11-17(14)24/h1-12,20H,(H,25,29)(H,27,28)
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Article
PubMed
n/an/a 5.62E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


Article DOI: 10.1021/jm00047a021
BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50019218
PNG
(2-Chloro-N-[5-(2-fluoro-phenyl)-2-oxo-2,3-dihydro-...)
Show SMILES Fc1ccccc1C1=NC(NC(=O)c2ccccc2Cl)C(=O)Nc2ccccc12
Show InChI InChI=1/C22H15ClFN3O2/c23-16-10-4-1-7-13(16)21(28)27-20-22(29)25-18-12-6-3-9-15(18)19(26-20)14-8-2-5-11-17(14)24/h1-12,20H,(H,25,29)(H,27,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]CCK-33 binding to cholecystokinin A receptor from rat pancreatic tissue


J Med Chem 31: 2235-46 (1989)


Article DOI: 10.1021/jm00120a002
BindingDB Entry DOI: 10.7270/Q2PG1S9K
More data for this
Ligand-Target Pair