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SMILES: OC(=O)CCC(NC(=O)N[C@H](CC1CCN(CC1)C(=O)CCC(CCC(=O)N1CCC(C[C@H](NC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)CC1)NC(=O)c1ccc(cc1)-n1cc(CCCF)nn1)C(O)=O)C(O)=O

InChI Key: InChIKey=WHWBVWJNNPIKEY-OQIBSZIYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 479469   
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
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM479469
PNG
(US10894807, ID P292)
Show SMILES OC(=O)CCC(NC(=O)N[C@H](CC1CCN(CC1)C(=O)CCC(CCC(=O)N1CCC(C[C@H](NC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)CC1)NC(=O)c1ccc(cc1)-n1cc(CCCF)nn1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C47H65FN10O17/c48-19-1-2-31-26-58(55-54-31)32-7-3-29(4-8-32)41(65)49-30(5-11-37(59)56-20-15-27(16-21-56)24-35(44(70)71)52-46(74)50-33(42(66)67)9-13-39(61)62)6-12-38(60)57-22-17-28(18-23-57)25-36(45(72)73)53-47(75)51-34(43(68)69)10-14-40(63)64/h3-4,7-8,26-28,30,33-36H,1-2,5-6,9-25H2,(H,49,65)(H,61,62)(H,63,64)(H,66,67)(H,68,69)(H,70,71)(H,72,73)(H2,50,52,74)(H2,51,53,75)/t30?,33?,34?,35-,36+
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MMDB

KEGG

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PC cid
PC sid
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US Patent
0.700n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...


US Patent US10894807 (2021)

More data for this
Ligand-Target Pair