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BDBM50252701 CHEMBL493258::ETAV

SMILES: CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)O)C(O)=O

InChI Key: InChIKey=VWOKOWYAFVGHDQ-SXZQQOGPSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50252701   
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
Disks large homolog 4


(Homo sapiens)
BDBM50252701
PNG
(CHEMBL493258 | ETAV)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)O)C(O)=O
Show InChI InChI=1S/C17H30N4O8/c1-7(2)12(17(28)29)20-14(25)8(3)19-16(27)13(9(4)22)21-15(26)10(18)5-6-11(23)24/h7-10,12-13,22H,5-6,18H2,1-4H3,(H,19,27)(H,20,25)(H,21,26)(H,23,24)(H,28,29)/t8-,9?,10-,12-,13-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.20E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Binding affinity to human PSD95 domain PDZ2 expressed in Escherichia coli BL21-DE3 by fluorescence polarization assay


J Med Chem 51: 6450-9 (2008)

More data for this
Ligand-Target Pair
Disks large homolog 4


(Homo sapiens)
BDBM50252701
PNG
(CHEMBL493258 | ETAV)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)O)C(O)=O
Show InChI InChI=1S/C17H30N4O8/c1-7(2)12(17(28)29)20-14(25)8(3)19-16(27)13(9(4)22)21-15(26)10(18)5-6-11(23)24/h7-10,12-13,22H,5-6,18H2,1-4H3,(H,19,27)(H,20,25)(H,21,26)(H,23,24)(H,28,29)/t8-,9?,10-,12-,13-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.90E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Binding affinity to human PSD95 domain PDZ1 expressed in Escherichia coli BL21-DE3 by fluorescence polarization assay


J Med Chem 51: 6450-9 (2008)

More data for this
Ligand-Target Pair
Disks large homolog 4


(Homo sapiens)
BDBM50252701
PNG
(CHEMBL493258 | ETAV)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)O)C(O)=O
Show InChI InChI=1S/C17H30N4O8/c1-7(2)12(17(28)29)20-14(25)8(3)19-16(27)13(9(4)22)21-15(26)10(18)5-6-11(23)24/h7-10,12-13,22H,5-6,18H2,1-4H3,(H,19,27)(H,20,25)(H,21,26)(H,23,24)(H,28,29)/t8-,9?,10-,12-,13-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.60E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Binding affinity to human PSD95 domain PDZ3 expressed in Escherichia coli BL21-DE3 by fluorescence polarization assay


J Med Chem 51: 6450-9 (2008)

More data for this
Ligand-Target Pair