BDBM45612 MLS000627093::N-[(2-hydroxy-5-isopropyl-phenyl)thiocarbamoyl]nicotinamide::N-[(2-hydroxy-5-propan-2-ylanilino)-sulfanylidenemethyl]-3-pyridinecarboxamide::N-[(2-hydroxy-5-propan-2-ylphenyl)carbamothioyl]pyridine-3-carboxamide::N-[(2-oxidanyl-5-propan-2-yl-phenyl)carbamothioyl]pyridine-3-carboxamide::N-{[(2-hydroxy-5-isopropylphenyl)amino]carbonothioyl}nicotinamide::SMR000299372::cid_889369

SMILES CC(C)c1ccc(O)c(NC(=S)NC(=O)c2cccnc2)c1

InChI Key InChIKey=GOMXOOBWXAXNNW-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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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 = 45612   

TargetApelin receptor(Human)
Sanford-Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45612BDBM45612(N-{[(2-hydroxy-5-isopropylphenyl)amino]carbonothio...)
Affinity DataIC50: 1.07E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/12/2011
Entry Details
PCBioAssay
TargetType-1 angiotensin II receptor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45612BDBM45612(N-{[(2-hydroxy-5-isopropylphenyl)amino]carbonothio...)
Affinity DataIC50: 2.32E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/31/2011
Entry Details
PCBioAssay
TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45612BDBM45612(N-{[(2-hydroxy-5-isopropylphenyl)amino]carbonothio...)
Affinity DataIC50: 5.00E+4nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/27/2011
Entry Details
PCBioAssay