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SMILES: OC(=O)C[C@@H](Cc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)=NC(=O)OC1C2CC3CC(C2)CC1C3

InChI Key: InChIKey=KEWRUPQUWICUNE-ZPBPIPJNSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50281983   
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
Gastrin/cholecystokinin type B receptor


(MOUSE)
BDBM50281983
PNG
((R)-3-[(Z)-2-(Adamantan-2-yloxycarbonylamino)-3-(1...)
Show SMILES OC(=O)C[C@@H](Cc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)=NC(=O)OC1C2CC3CC(C2)CC1C3 |w:26.29,wU:4.12,TLB:36:31:39:35.37.34,36:35:30.31.32:39,THB:34:35:30:33.32.39,34:33:30:35.37.36,29:30:39:35.37.34,(11.52,-.26,;12.15,-1.68,;13.66,-1.87,;11.19,-2.89,;11.77,-4.31,;13.29,-4.54,;14.68,-3.89,;14.82,-2.36,;16.22,-1.73,;17.5,-2.61,;17.35,-4.15,;15.94,-4.8,;10.81,-5.52,;9.29,-5.29,;8.73,-3.87,;8.35,-6.5,;6.82,-6.29,;5.87,-7.47,;6.29,-8.96,;5.01,-9.82,;3.79,-8.87,;2.26,-9.12,;1.29,-7.91,;1.85,-6.5,;3.36,-6.24,;4.33,-7.43,;8.91,-7.94,;10.35,-8.47,;10.6,-9.98,;11.75,-7.82,;13,-8.71,;12.98,-10.43,;14.47,-11.01,;15.74,-10.33,;15.09,-11.64,;13.52,-11.1,;12.33,-11.64,;13.54,-9.17,;14.45,-7.98,;15.75,-8.78,)|
Show InChI InChI=1S/C32H35N3O5/c36-29(37)17-25(15-19-6-2-1-3-7-19)34-31(38)28(16-24-18-33-27-9-5-4-8-26(24)27)35-32(39)40-30-22-11-20-10-21(13-22)14-23(30)12-20/h1-9,18,20-23,25,30,33H,10-17H2,(H,34,38)(H,36,37)/t20?,21?,22?,23?,25-,30?/m1/s1
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Article
n/an/a 99n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound measured for half-maximal inhibition of specific binding of [125I]-Bolton Hunter CCK-26-33 to CCK-B receptor in the mouse cerebral cortex.


Bioorg Med Chem Lett 3: 989-992 (1993)


Article DOI: 10.1016/S0960-894X(00)80273-5
BindingDB Entry DOI: 10.7270/Q2XD11M0
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50281983
PNG
((R)-3-[(Z)-2-(Adamantan-2-yloxycarbonylamino)-3-(1...)
Show SMILES OC(=O)C[C@@H](Cc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)=NC(=O)OC1C2CC3CC(C2)CC1C3 |w:26.29,wU:4.12,TLB:36:31:39:35.37.34,36:35:30.31.32:39,THB:34:35:30:33.32.39,34:33:30:35.37.36,29:30:39:35.37.34,(11.52,-.26,;12.15,-1.68,;13.66,-1.87,;11.19,-2.89,;11.77,-4.31,;13.29,-4.54,;14.68,-3.89,;14.82,-2.36,;16.22,-1.73,;17.5,-2.61,;17.35,-4.15,;15.94,-4.8,;10.81,-5.52,;9.29,-5.29,;8.73,-3.87,;8.35,-6.5,;6.82,-6.29,;5.87,-7.47,;6.29,-8.96,;5.01,-9.82,;3.79,-8.87,;2.26,-9.12,;1.29,-7.91,;1.85,-6.5,;3.36,-6.24,;4.33,-7.43,;8.91,-7.94,;10.35,-8.47,;10.6,-9.98,;11.75,-7.82,;13,-8.71,;12.98,-10.43,;14.47,-11.01,;15.74,-10.33,;15.09,-11.64,;13.52,-11.1,;12.33,-11.64,;13.54,-9.17,;14.45,-7.98,;15.75,-8.78,)|
Show InChI InChI=1S/C32H35N3O5/c36-29(37)17-25(15-19-6-2-1-3-7-19)34-31(38)28(16-24-18-33-27-9-5-4-8-26(24)27)35-32(39)40-30-22-11-20-10-21(13-22)14-23(30)12-20/h1-9,18,20-23,25,30,33H,10-17H2,(H,34,38)(H,36,37)/t20?,21?,22?,23?,25-,30?/m1/s1
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Article
n/an/a 3.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound measured for half-maximal inhibition of specific binding of [125I]-Bolton Hunter CCK-26-33 to CCK-A receptor in the rat pancreas.


Bioorg Med Chem Lett 3: 989-992 (1993)


Article DOI: 10.1016/S0960-894X(00)80273-5
BindingDB Entry DOI: 10.7270/Q2XD11M0
More data for this
Ligand-Target Pair