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SMILES: CCCNC1=Nc2ccccc2C(=N[C@@H]1Cc1c[nH]c2ccccc12)c1ccccc1F

InChI Key: InChIKey=PRRAXJYOXKPQGY-RUZDIDTESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50227024   
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 type A/Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50227024
PNG
(CHEMBL316238)
Show SMILES CCCNC1=Nc2ccccc2C(=N[C@@H]1Cc1c[nH]c2ccccc12)c1ccccc1F |c:13,t:4|
Show InChI InChI=1S/C27H25FN4/c1-2-15-29-27-25(16-18-17-30-23-13-7-4-9-19(18)23)31-26(20-10-3-6-12-22(20)28)21-11-5-8-14-24(21)32-27/h3-14,17,25,30H,2,15-16H2,1H3,(H,29,32)/t25-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards cholecystokinin receptor by the displacement of [125I]CCK-33 in rat pancreatic tissue


J Med Chem 31: 264-8 (1988)


BindingDB Entry DOI: 10.7270/Q24B33HD
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50227024
PNG
(CHEMBL316238)
Show SMILES CCCNC1=Nc2ccccc2C(=N[C@@H]1Cc1c[nH]c2ccccc12)c1ccccc1F |c:13,t:4|
Show InChI InChI=1S/C27H25FN4/c1-2-15-29-27-25(16-18-17-30-23-13-7-4-9-19(18)23)31-26(20-10-3-6-12-22(20)28)21-11-5-8-14-24(21)32-27/h3-14,17,25,30H,2,15-16H2,1H3,(H,29,32)/t25-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards cholecystokinin receptor by displacement of [125I]CCK-33 from guinea pig brain tissue


J Med Chem 31: 264-8 (1988)


BindingDB Entry DOI: 10.7270/Q24B33HD
More data for this
Ligand-Target Pair