BDBM50017897 CHEMBL3289023

SMILES N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(Oc2ccc(cc2)C(N)=N)cc(Oc2ccc(cc2)C(N)=N)c1

InChI Key InChIKey=PCTUHSSCHRLPLB-MXVIHJGJSA-N

Data  3 KI  4 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50017897   

TargetSuppressor of tumorigenicity 14 protein(Homo sapiens (Human))
Aurigene Discovery Technologies

Curated by ChEMBL
LigandPNGBDBM50017897(CHEMBL3289023)
Affinity DataKi:  10nMAssay Description:Inhibition of recombinant matriptase (unknown origin) using Boc-Gln-Ala-Arg-7-amido-4-methyl coumarin hydrobromideMore data for this Ligand-Target Pair
TargetCoagulation factor X(Bos taurus)
Aurigene Discovery Technologies

Curated by ChEMBL
LigandPNGBDBM50017897(CHEMBL3289023)
Affinity DataKi:  516nMAssay Description:Inhibition of bovine plasma factor 10a using CH3OCO-D-CHA-Gly-Arg-pNA.AcoH substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
Aurigene Discovery Technologies

Curated by ChEMBL
LigandPNGBDBM50017897(CHEMBL3289023)
Affinity DataKi:  2.11E+3nMAssay Description:Inhibition of human thrombin using Boc-Gln-Ala-Arg-7-amido-4-methyl coumarin hydrobromideMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Aurigene Discovery Technologies

Curated by ChEMBL
LigandPNGBDBM50017897(CHEMBL3289023)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Aurigene Discovery Technologies

Curated by ChEMBL
LigandPNGBDBM50017897(CHEMBL3289023)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Aurigene Discovery Technologies

Curated by ChEMBL
LigandPNGBDBM50017897(CHEMBL3289023)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Aurigene Discovery Technologies

Curated by ChEMBL
LigandPNGBDBM50017897(CHEMBL3289023)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed