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

InChI Key: InChIKey=ASNJBGLZOBVXSH-HSZRJFAPSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50227026   
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)		BDBM50227026
PNG
(CHEMBL314579)
Show SMILES Fc1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)C(NC#N)=Nc2ccccc12 |c:26,t:8|
Show InChI InChI=1S/C25H18FN5/c26-20-10-4-1-8-18(20)24-19-9-3-6-12-22(19)31-25(29-15-27)23(30-24)13-16-14-28-21-11-5-2-7-17(16)21/h1-12,14,23,28H,13H2,(H,29,31)/t23-/m1/s1
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UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2.00E+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))		BDBM50227026
PNG
(CHEMBL314579)
Show SMILES Fc1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)C(NC#N)=Nc2ccccc12 |c:26,t:8|
Show InChI InChI=1S/C25H18FN5/c26-20-10-4-1-8-18(20)24-19-9-3-6-12-22(19)31-25(29-15-27)23(30-24)13-16-14-28-21-11-5-2-7-17(16)21/h1-12,14,23,28H,13H2,(H,29,31)/t23-/m1/s1
PDB
MMDB

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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