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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50089453   
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
Glutamate carboxypeptidase 2


(Homo sapiens (Human))		BDBM50089453
PNG
(CHEMBL3578200)
Show SMILES [H][C@]12CS[C@@H](CCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)N3CCN(CC3)c3ccc(cc3)N3CCN(CC3)c3ccc(cn3)C(=O)N(CCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)Cc3ccc(Br)cc3)[C@@]1([H])NC(=O)N2 |r|
Show InChI InChI=1S/C76H116BrN11O23S/c77-60-11-8-58(9-12-60)56-88(22-4-3-5-63(73(94)95)80-75(98)81-64(74(96)97)17-19-70(91)92)72(93)59-10-18-67(79-55-59)86-27-23-84(24-28-86)61-13-15-62(16-14-61)85-25-29-87(30-26-85)69(90)20-31-100-33-35-102-37-39-104-41-43-106-45-47-108-49-51-110-53-54-111-52-50-109-48-46-107-44-42-105-40-38-103-36-34-101-32-21-78-68(89)7-2-1-6-66-71-65(57-112-66)82-76(99)83-71/h8-16,18,55,63-66,71H,1-7,17,19-54,56-57H2,(H,78,89)(H,91,92)(H,94,95)(H,96,97)(H2,80,81,98)(H2,82,83,99)/t63-,64-,65-,66-,71-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.110n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of antiTEV-tagged GCP2 extracellular portion (aa 44-750) (unknown origin) using folyl-di-L-glutamate as substrate by HPLC-based enzymatic ...

J Med Chem 58: 4357-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00278
BindingDB Entry DOI: 10.7270/Q2DR2X70
More data for this
Ligand-Target Pair