BDBM39191 2-[4-Furan-2-ylmethyl-5-(4-hydroxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-1-thiophen-2-yl-ethanone::4-[4-(2-furanylmethyl)-3-[(2-oxo-2-thiophen-2-ylethyl)thio]-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,5-dienone::4-[4-(2-furfuryl)-3-[[2-keto-2-(2-thienyl)ethyl]thio]-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one::4-[4-(furan-2-ylmethyl)-3-(2-oxidanylidene-2-thiophen-2-yl-ethyl)sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one::4-[4-(furan-2-ylmethyl)-3-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one::CHEMBL562192::MLS000032406::SMR000002552::cid_5447163

SMILES Oc1ccc(cc1)-c1nnc(SCC(=O)c2cccs2)n1Cc1ccco1

InChI Key InChIKey=FKRJCHJCHZWRJG-UHFFFAOYSA-N

Data  2 KI  1 IC50

  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 3 hits for monomerid = 39191   

TargetRho-associated protein kinase 2(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM39191(cid_5447163 | 4-[4-(furan-2-ylmethyl)-3-(2-oxidany...)
Affinity DataIC50: 1.99E+4nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2011
Entry Details
PCBioAssay
TargetCarboxypeptidase B(Human)
Universitat Aut£Noma De Barcelona

Curated by ChEMBL
LigandPNGBDBM39191(cid_5447163 | 4-[4-(furan-2-ylmethyl)-3-(2-oxidany...)
Affinity DataKi:  9.10E+3nMAssay Description:Inhibition of human recombinant carboxypeptidase B expressed in Pichia pastoris systemMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2010
Entry Details Article
PubMed
TargetCarboxypeptidase A1(Bovine)
Universitat Aut£Noma De Barcelona

Curated by ChEMBL
LigandPNGBDBM39191(cid_5447163 | 4-[4-(furan-2-ylmethyl)-3-(2-oxidany...)
Affinity DataKi:  7.45E+4nMAssay Description:Inhibition of bovine carboxypeptidase A1More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2010
Entry Details Article
PubMed