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SMILES: CNC1=Nc2ccccc2C(=N[C@@H]1Cc1c[nH]c2ccccc12)c1ccccc1F

InChI Key: InChIKey=PLCFIIXHHMIVKR-HSZRJFAPSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50227028   
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


(Homo sapiens (Human))
BDBM50227028
PNG
(CHEMBL316190)
Show SMILES CNC1=Nc2ccccc2C(=N[C@@H]1Cc1c[nH]c2ccccc12)c1ccccc1F |c:11,t:2|
Show InChI InChI=1S/C25H21FN4/c1-27-25-23(14-16-15-28-21-12-6-3-8-17(16)21)29-24(18-9-2-5-11-20(18)26)19-10-4-7-13-22(19)30-25/h2-13,15,23,28H,14H2,1H3,(H,27,30)/t23-/m1/s1
PDB
MMDB

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KEGG

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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
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50227028
PNG
(CHEMBL316190)
Show SMILES CNC1=Nc2ccccc2C(=N[C@@H]1Cc1c[nH]c2ccccc12)c1ccccc1F |c:11,t:2|
Show InChI InChI=1S/C25H21FN4/c1-27-25-23(14-16-15-28-21-12-6-3-8-17(16)21)29-24(18-9-2-5-11-20(18)26)19-10-4-7-13-22(19)30-25/h2-13,15,23,28H,14H2,1H3,(H,27,30)/t23-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.40E+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