BDBM50622235 CHEMBL5414162

SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CS)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O

InChI Key InChIKey=XWCNNWPTHCJOSC-UHFFFAOYSA-N

Data  4 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 = 50622235   

TargetTumor necrosis factor(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM50622235(CHEMBL5414162)
Affinity DataKd:  5.14E+3nMAssay Description:Binding affinity to recombinant TNF-alpha (unknown origin) assessed as dissociation constant incubated for 10 mins by MST assayMore data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMed
TargetTumor necrosis factor(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM50622235(CHEMBL5414162)
Affinity DataKd:  6.00E+3nMAssay Description:Binding affinity to TNF-alpha (unknown origin) assessed as dissociation constant by SPR analysisMore data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMed
TargetTumor necrosis factor receptor superfamily member 1A(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM50622235(CHEMBL5414162)
Affinity DataKd:  996nMAssay Description:Inhibition of TNF-alpha (unknown origin) binding to TNFR1 assessed as dissociation constant of TNF-alpha preincubated for 15 mins by MST assay (Rvb =...More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMed
TargetTumor necrosis factor receptor superfamily member 1B(Homo sapiens)
Tongji University

Curated by ChEMBL
LigandPNGBDBM50622235(CHEMBL5414162)
Affinity DataKd:  321nMAssay Description:Inhibition of TNF-alpha (unknown origin) binding to TNFR2 assessed as dissociation constant of TNF-alpha preincubated for 15 mins by MST assay (Rvb =...More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMed