BDBM50555259 CHEMBL4756359

SMILES C[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C(=O)[C@H](Cc1csc2ccccc12)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)COCCOCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(C)(C)S)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C(O)=O)C(C)(C)C

InChI Key InChIKey=XHUUUZFLZAMFHF-UHFFFAOYSA-N

Data  4 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50555259   

TargetGolgi-associated PDZ and coiled-coil motif-containing protein(Human)
The Ohio State University

Curated by ChEMBL
LigandPNGBDBM50555259(CHEMBL4756359)
Affinity DataKd:  6nMAssay Description:Binding affinity to C-terminal His6 tagged CAL PDZ domain (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr by fluorescence pola...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetNa(+)/H(+) exchange regulatory cofactor NHE-RF1(Human)
The Ohio State University

Curated by ChEMBL
LigandPNGBDBM50555259(CHEMBL4756359)
Affinity DataKd:  780nMAssay Description:Binding affinity to NHERF1 PDZ1 domain (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr by fluorescence polarization based comp...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetNa(+)/H(+) exchange regulatory cofactor NHE-RF2(Human)
The Ohio State University

Curated by ChEMBL
LigandPNGBDBM50555259(CHEMBL4756359)
Affinity DataKd:  1.37E+3nMAssay Description:Binding affinity to NHERF2 PDZ1 domain (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr by fluorescence polarization based comp...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetNa(+)/H(+) exchange regulatory cofactor NHE-RF2(Human)
The Ohio State University

Curated by ChEMBL
LigandPNGBDBM50555259(CHEMBL4756359)
Affinity DataKd:  7.48E+3nMAssay Description:Binding affinity to NHERF2 PDZ2 domain (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr by fluorescence polarization based comp...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed