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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cholecystokinin receptor type A' and Ligand = 'BDBM50007917'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cholecystokinin receptor type A


(Cavia porcellus)
BDBM50007917
PNG
(3-{1-[1-aminobutyl oxycarbonylamino-2-(1H-3-indoly...)
Show SMILES Cc1cccc(NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1
Show InChI InChI=1S/C43H54N8O9/c1-26-13-12-16-29(21-26)47-41(58)45-20-11-10-19-32(38(55)50-35(24-36(52)53)40(57)49-33(37(44)54)22-27-14-6-5-7-15-27)48-39(56)34(51-42(59)60-43(2,3)4)23-28-25-46-31-18-9-8-17-30(28)31/h5-9,12-18,21,25,32-35,46H,10-11,19-20,22-24H2,1-4H3,(H2,44,54)(H,48,56)(H,49,57)(H,50,55)(H,51,59)(H,52,53)(H2,45,47,58)/t32-,33-,34-,35-/m0/s1
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PC cid
PC sid
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Similars

PubMed
n/an/a 16n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK-8 from Cholecystokinin type A receptor in guinea pig pancreas


J Med Chem 33: 2950-2 (1990)


BindingDB Entry DOI: 10.7270/Q2M32WCP
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Cavia porcellus)
BDBM50007917
PNG
(3-{1-[1-aminobutyl oxycarbonylamino-2-(1H-3-indoly...)
Show SMILES Cc1cccc(NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1
Show InChI InChI=1S/C43H54N8O9/c1-26-13-12-16-29(21-26)47-41(58)45-20-11-10-19-32(38(55)50-35(24-36(52)53)40(57)49-33(37(44)54)22-27-14-6-5-7-15-27)48-39(56)34(51-42(59)60-43(2,3)4)23-28-25-46-31-18-9-8-17-30(28)31/h5-9,12-18,21,25,32-35,46H,10-11,19-20,22-24H2,1-4H3,(H2,44,54)(H,48,56)(H,49,57)(H,50,55)(H,51,59)(H,52,53)(H2,45,47,58)/t32-,33-,34-,35-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 16n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards cholecystokinin type A receptor in guinea pig pancreas by using [125I]-BH-CCK-8 as radioligand


J Med Chem 34: 2837-42 (1991)


BindingDB Entry DOI: 10.7270/Q2JD4VRF
More data for this
Ligand-Target Pair