BDBM51599 3-[3-[(5-ethyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]propyl]-1H-benzimidazol-2-one::3-[3-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propyl]-1H-benzimidazol-2-one::3-[3-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]propyl]-1H-benzimidazol-2-one::MLS000112822::SMR000108731::cid_5310786

SMILES CCn1c2ccccc2c2nnc(SCCCn3c4ccccc4[nH]c3=O)nc12

InChI Key InChIKey=ZVNFFJMAVRCTRS-UHFFFAOYSA-N

Data  1 KI  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 51599   

TargetdTDP-4-dehydrorhamnose 3,5-epimerase(Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM51599(SMR000108731 | cid_5310786 | MLS000112822 | 3-[3-[...)
Affinity DataIC50: 398nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Michael McNeil, Colorado State Universi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/31/2011
Entry Details
PCBioAssay
TargetdTDP-4-dehydrorhamnose 3,5-epimerase/reductase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
University of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM51599(SMR000108731 | cid_5310786 | MLS000112822 | 3-[3-[...)
Affinity DataIC50: 398nMAssay Description:Inhibition of Mycobacterium tuberculosis RmlC/RmlD expressed in Escherichia coli by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2020
Entry Details Article
PubMed
TargetdTDP-4-dehydrorhamnose 3,5-epimerase(Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM51599(SMR000108731 | cid_5310786 | MLS000112822 | 3-[3-[...)
Affinity DataIC50: 200nMAssay Description:Inhibition of Mycobacterium tuberculosis RmlC expressed in Escherichia coli by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2020
Entry Details Article
PubMed
TargetdTDP-4-dehydrorhamnose 3,5-epimerase(Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM51599(SMR000108731 | cid_5310786 | MLS000112822 | 3-[3-[...)
Affinity DataKi:  100nMAssay Description:Inhibition of Mycobacterium tuberculosis RmlC expressed in Escherichia coli by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2020
Entry Details Article
PubMed