BDBM50579091 CHEMBL4849311

SMILES CC(C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O

InChI Key InChIKey=SQULGOCJFQHCRQ-UHFFFAOYSA-N

Data  3 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50579091   

TargetGTPase KRas(Human)
The Ohio State University

Curated by ChEMBL
LigandPNGBDBM50579091(CHEMBL4849311)
Affinity DataKd:  1.20E+3nMAssay Description:Binding affinity to GTP-bound K-Ras G12V mutant (1 to 185 residues) (unknown origin) expressed in Escherichia coli BL21 cells incubated for 2.5 hrs b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed
TargetGTPase KRas(Human)
The Ohio State University

Curated by ChEMBL
LigandPNGBDBM50579091(CHEMBL4849311)
Affinity DataKd:  1.60E+3nMAssay Description:Binding affinity to GppNHp-bound K-Ras G12V mutant (1 to 185 residues) (unknown origin) expressed in Escherichia coli BL21 cells incubated for 2.5 hr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed
TargetGTPase KRas(Human)
The Ohio State University

Curated by ChEMBL
LigandPNGBDBM50579091(CHEMBL4849311)
Affinity DataKd:  9.30E+3nMAssay Description:Binding affinity to GDP-bound K-Ras G12V mutant (1 to 185 residues) (unknown origin) expressed in Escherichia coli BL21 cells incubated for 2.5 hrs b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed