BDBM50582622 CHEMBL5091890

SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCCC(=O)NC(COCc1cn(CCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2scnc2C)C(C)(C)C)nn1)C(=O)NCCCCCC(=O)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F

InChI Key InChIKey=VCVPMJJSSIKMNU-UHFFFAOYSA-N

Data  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 2 hits for monomerid = 50582622   

TargetEpidermal growth factor receptor(Human)
Huazhong University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50582622(CHEMBL5091890)
Affinity DataKd:  5.47E+3nMAssay Description:Binding affinity to recombinant human His/GST tagged EFGR (668 to 1220 residues) expressed in baculovirus infected cells assessed as dissociation con...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Huazhong University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50582622(CHEMBL5091890)
Affinity DataKd:  1.21E+4nMAssay Description:Binding affinity to human GST-tagged PARP-1 ART domain (788 to 1014 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation const...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMed