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BDBM45677 MLS000771704::N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2-thiophenecarboxamide::N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide::SMR000376429::cid_2097024

SMILES: FC(F)(F)c1nnc(NC(=O)c2cccs2)[nH]1

InChI Key: InChIKey=WGFZZAMGCMHIFU-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 45677   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kallikrein 5


(Homo sapiens (Human))
BDBM45677
PNG
(MLS000771704 | N-[5-(trifluoromethyl)-1H-1,2,4-tri...)
Show SMILES FC(F)(F)c1nnc(NC(=O)c2cccs2)[nH]1
Show InChI InChI=1S/C8H5F3N4OS/c9-8(10,11)6-13-7(15-14-6)12-5(16)4-2-1-3-17-4/h1-3H,(H2,12,13,14,15,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.66E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GH9GC8
More data for this
Ligand-Target Pair
Factor XIIa


(Homo sapiens (Human))
BDBM45677
PNG
(MLS000771704 | N-[5-(trifluoromethyl)-1H-1,2,4-tri...)
Show SMILES FC(F)(F)c1nnc(NC(=O)c2cccs2)[nH]1
Show InChI InChI=1S/C8H5F3N4OS/c9-8(10,11)6-13-7(15-14-6)12-5(16)4-2-1-3-17-4/h1-3H,(H2,12,13,14,15,16)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.11E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21G0JQS
More data for this
Ligand-Target Pair