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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Disks large homolog 4' and Ligand = 'BDBM50339555'   
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
Disks large homolog 4


(Homo sapiens (Human))
BDBM50339555
PNG
((2S,5S,8S,11S)-11-(2-carboxyethyl)-14-cycloheptyl-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NCCC1CCCCCC1)[C@@H](C)O)C(O)=O |r|
Show InChI InChI=1S/C26H46N4O8/c1-15(2)21(26(37)38)29-23(34)16(3)28-25(36)22(17(4)31)30-24(35)19(11-12-20(32)33)27-14-13-18-9-7-5-6-8-10-18/h15-19,21-22,27,31H,5-14H2,1-4H3,(H,28,36)(H,29,34)(H,30,35)(H,32,33)(H,37,38)/t16-,17+,19-,21-,22-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
1.20E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of PSD-95 PDZ2 domain by competitive fluorescence polarization assay


J Med Chem 54: 1333-46 (2011)


Article DOI: 10.1021/jm1013924
BindingDB Entry DOI: 10.7270/Q2H13300
More data for this
Ligand-Target Pair
Disks large homolog 4


(Homo sapiens (Human))
BDBM50339555
PNG
((2S,5S,8S,11S)-11-(2-carboxyethyl)-14-cycloheptyl-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NCCC1CCCCCC1)[C@@H](C)O)C(O)=O |r|
Show InChI InChI=1S/C26H46N4O8/c1-15(2)21(26(37)38)29-23(34)16(3)28-25(36)22(17(4)31)30-24(35)19(11-12-20(32)33)27-14-13-18-9-7-5-6-8-10-18/h15-19,21-22,27,31H,5-14H2,1-4H3,(H,28,36)(H,29,34)(H,30,35)(H,32,33)(H,37,38)/t16-,17+,19-,21-,22-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
9.40E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of PSD-95 PDZ3 domain by competitive fluorescence polarization assay


J Med Chem 54: 1333-46 (2011)


Article DOI: 10.1021/jm1013924
BindingDB Entry DOI: 10.7270/Q2H13300
More data for this
Ligand-Target Pair