BDBM50295331 CHEMBL4168222

SMILES Cc1ccccc1Oc1ccc(Cn2cc(nn2)-c2ccccc2)cc1O

InChI Key InChIKey=RXXUNJCEEGMOQJ-UHFFFAOYSA-N

Data  2 KI

PDB links: 2 PDB IDs match this monomer.

  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 2 hits for monomerid = 50295331   

TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Cnrs

Curated by ChEMBL
LigandPNGBDBM50295331(CHEMBL4168222)
Affinity DataKi:  229nMAssay Description:Concentration required to inhibit the VCAM-Very late antigen4 (VLA4) interaction in Ramos cell-based assayMore data for this Ligand-Target Pair
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Cnrs

Curated by ChEMBL
LigandPNGBDBM50295331(CHEMBL4168222)
Affinity DataKi:  1.50E+3nMAssay Description:Inhibition of Mycobacterium tuberculosis InhA I215A mutant expressed in Escherichia coli BL21(DE3) pLysS cells using C8-CoA as substrate by UV-vis sp...More data for this Ligand-Target Pair