BDBM50254739 CHEMBL4079223

SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CNC(=O)C(N)CCCCn1cc(CCCCNC(=O)CCCCCn2nc(N)c3cc(nnc23)-c2c(nn3ccccc23)-c2ccccc2)nn1)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(O)=O

InChI Key InChIKey=PXGIUVZZRMNTCW-UHFFFAOYSA-N

Data  2 IC50  2 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50254739   

TargetMitogen-activated protein kinase 1(Human)
Sanford Burnham Prebys Medical Discovery Institute

Curated by ChEMBL
LigandPNGBDBM50254739(CHEMBL4079223)
Affinity DataKd:  16nMAssay Description:Binding affinity to full length wild type human ERK2 (M1 to P379 residues) expressed in bacterial expression system by KINOMEscan assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/11/2019
Entry Details Article
PubMed
TargetGlycogen synthase kinase-3 beta(Human)
Sanford Burnham Prebys Medical Discovery Institute

Curated by ChEMBL
LigandPNGBDBM50254739(CHEMBL4079223)
Affinity DataKd: >2.50E+3nMAssay Description:Binding affinity to full length wild type human GSK3beta (M1 to T433 residues) expressed in mammalian expression system by KINOMEscan assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/11/2019
Entry Details Article
PubMed
TargetMitogen-activated protein kinase 1(Human)
Sanford Burnham Prebys Medical Discovery Institute

Curated by ChEMBL
LigandPNGBDBM50254739(CHEMBL4079223)
Affinity DataIC50: 25nMAssay Description:Inhibition of phosphorylated ERK2 (unknown origin) using myelin basic protein as substrate after 2 hrs in presence of ATP by ADP-glo assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/11/2019
Entry Details Article
PubMed
TargetMitogen-activated protein kinase 1(Human)
Sanford Burnham Prebys Medical Discovery Institute

Curated by ChEMBL
LigandPNGBDBM50254739(CHEMBL4079223)
Affinity DataIC50: 25nMAssay Description:Inhibition of human recombinant ERK2 expressed in Escherichia coli DH5alpha incubated for 1 hrMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed