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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50046117   
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
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50046117
PNG
(3-(2-Amino-3-phenyl-propionylamino)-N-(1-{[1-tert-...)
Show SMILES CN([C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C38H45N5O7/c1-38(2,3)50-37(49)32(21-26-23-40-29-18-12-11-17-27(26)29)43(4)36(48)31(20-25-15-9-6-10-16-25)42-35(47)30(22-33(44)45)41-34(46)28(39)19-24-13-7-5-8-14-24/h5-18,23,28,30-32,40H,19-22,39H2,1-4H3,(H,41,46)(H,42,47)(H,44,45)/t28-,30-,31-,32-/m1/s1
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PC cid
PC sid
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Similars

PubMed
590n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]pCCK-8 from cholecystokinin type B receptor in guinea pig brain membrane


J Med Chem 36: 166-72 (1993)


BindingDB Entry DOI: 10.7270/Q26M37FJ
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Cavia porcellus)
BDBM50046117
PNG
(3-(2-Amino-3-phenyl-propionylamino)-N-(1-{[1-tert-...)
Show SMILES CN([C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C38H45N5O7/c1-38(2,3)50-37(49)32(21-26-23-40-29-18-12-11-17-27(26)29)43(4)36(48)31(20-25-15-9-6-10-16-25)42-35(47)30(22-33(44)45)41-34(46)28(39)19-24-13-7-5-8-14-24/h5-18,23,28,30-32,40H,19-22,39H2,1-4H3,(H,41,46)(H,42,47)(H,44,45)/t28-,30-,31-,32-/m1/s1
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
3.20E+3n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Affinity of compound on binding of [3H]pCCK-8 to the cholecystokinin type A receptor in guinea pig pancreatic membrane


J Med Chem 36: 166-72 (1993)


BindingDB Entry DOI: 10.7270/Q26M37FJ
More data for this
Ligand-Target Pair