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BDBM50367632 CHEMBL1907839

SMILES: CN1c2ccccc2C(=N[C@H](NC(=O)c2ccccc2I)C1=O)c1ccccc1

InChI Key: InChIKey=AXVHDVOFVUKUNK-OAQYLSRUSA-N

Data: 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 3 hits for monomerid = 50367632   
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))
BDBM50367632
PNG
(CHEMBL1907839)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)c2ccccc2I)C1=O)c1ccccc1
Show InChI InChI=1S/C23H18IN3O2/c1-27-19-14-8-6-12-17(19)20(15-9-3-2-4-10-15)25-21(23(27)29)26-22(28)16-11-5-7-13-18(16)24/h2-14,21H,1H3,(H,26,28)/t21-/m1/s1
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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.80E+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))
BDBM50367632
PNG
(CHEMBL1907839)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)c2ccccc2I)C1=O)c1ccccc1
Show InChI InChI=1S/C23H18IN3O2/c1-27-19-14-8-6-12-17(19)20(15-9-3-2-4-10-15)25-21(23(27)29)26-22(28)16-11-5-7-13-18(16)24/h2-14,21H,1H3,(H,26,28)/t21-/m1/s1
PDB
MMDB

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B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.10E+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)
BDBM50367632
PNG
(CHEMBL1907839)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)c2ccccc2I)C1=O)c1ccccc1
Show InChI InChI=1S/C23H18IN3O2/c1-27-19-14-8-6-12-17(19)20(15-9-3-2-4-10-15)25-21(23(27)29)26-22(28)16-11-5-7-13-18(16)24/h2-14,21H,1H3,(H,26,28)/t21-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+3n/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 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