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BDBM479431 US10894807, ID P238

SMILES: OC(=O)CC[C@H](NC(=O)N[C@@H](Cc1ccc(NC(=O)c2cc(cc(c2)-n2cc(CCCF)nn2)C(=O)Nc2ccc(C[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)cc2)cc1)C(O)=O)C(O)=O

InChI Key: InChIKey=OTZXVWOICIESQA-YRCZKMHPSA-N

Data: 1 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 479431   
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 II


(Homo sapiens (Human))
BDBM479431
PNG
(US10894807, ID P238)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](Cc1ccc(NC(=O)c2cc(cc(c2)-n2cc(CCCF)nn2)C(=O)Nc2ccc(C[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)cc2)cc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C43H46FN9O16/c44-15-1-2-28-21-53(52-51-28)29-19-24(36(58)45-26-7-3-22(4-8-26)16-32(40(64)65)49-42(68)47-30(38(60)61)11-13-34(54)55)18-25(20-29)37(59)46-27-9-5-23(6-10-27)17-33(41(66)67)50-43(69)48-31(39(62)63)12-14-35(56)57/h3-10,18-21,30-33H,1-2,11-17H2,(H,45,58)(H,46,59)(H,54,55)(H,56,57)(H,60,61)(H,62,63)(H,64,65)(H,66,67)(H2,47,49,68)(H2,48,50,69)/t30-,31-,32-,33-/m0/s1
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MMDB

KEGG

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PC cid
PC sid
UniChem
US Patent
<0.300n/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