BDBM50579435 CHEMBL4863477

SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccncc1C

InChI Key InChIKey=FVTXWRGKBOWNPA-UHFFFAOYSA-N

Data  1 KI  1 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50579435   

TargetHepatitis A virus cellular receptor 2(Homo sapiens)
Vanderbilt University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50579435(CHEMBL4863477)
Affinity DataKi:  4.90E+3nMAssay Description:Displacement of FITC-labelled 5-(((8-Chloro-9-(3-methylpyridin-4-yl)-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl)carbamoyl)-2-(6-h...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetHepatitis A virus cellular receptor 2(Homo sapiens)
Vanderbilt University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50579435(CHEMBL4863477)
Affinity DataIC50:  5.30E+4nMAssay Description:Displacement of FITC-labelled 5-(((8-Chloro-9-(3-methylpyridin-4-yl)-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl)carbamoyl)-2-(6-h...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetHepatitis A virus cellular receptor 2(Homo sapiens)
Vanderbilt University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50579435(CHEMBL4863477)
Affinity DataKd:  1.00E+4nMAssay Description:Binding affinity to human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by 1H-15N SOFAST-HMQC spectroscopic analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB