BindingDB logo
myBDB logout

null

SMILES: Fc1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)C(Nc2ccccc2)=Nc2ccccc12

InChI Key: InChIKey=OFANVAYBWIKXQI-MUUNZHRXSA-N

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 2 hits for monomerid = 50227022   
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))
BDBM50227022
PNG
(CHEMBL314081)
Show SMILES Fc1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)C(Nc2ccccc2)=Nc2ccccc12 |c:31,t:8|
Show InChI InChI=1S/C30H23FN4/c31-25-15-7-4-13-23(25)29-24-14-6-9-17-27(24)35-30(33-21-10-2-1-3-11-21)28(34-29)18-20-19-32-26-16-8-5-12-22(20)26/h1-17,19,28,32H,18H2,(H,33,35)/t28-/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
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50227022
PNG
(CHEMBL314081)
Show SMILES Fc1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)C(Nc2ccccc2)=Nc2ccccc12 |c:31,t:8|
Show InChI InChI=1S/C30H23FN4/c31-25-15-7-4-13-23(25)29-24-14-6-9-17-27(24)35-30(33-21-10-2-1-3-11-21)28(34-29)18-20-19-32-26-16-8-5-12-22(20)26/h1-17,19,28,32H,18H2,(H,33,35)/t28-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.40E+4n/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