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BDBM33434 1-(2-methyl-3-furoyl)-1H-1,2,3-benzotriazole::1-benzotriazolyl-(2-methyl-3-furanyl)methanone::MLS000066844::SMR000072033::benzotriazol-1-yl-(2-methyl-3-furyl)methanone::benzotriazol-1-yl-(2-methylfuran-3-yl)methanone::cid_898637

SMILES: Cc1occc1C(=O)n1nnc2ccccc12

InChI Key: InChIKey=DTUKMQFBFZXVKB-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 33434   
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
Factor XIIa


(Homo sapiens (Human))
BDBM33434
PNG
(1-(2-methyl-3-furoyl)-1H-1,2,3-benzotriazole | 1-b...)
Show SMILES Cc1occc1C(=O)n1nnc2ccccc12
Show InChI InChI=1S/C12H9N3O2/c1-8-9(6-7-17-8)12(16)15-11-5-3-2-4-10(11)13-14-15/h2-7H,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 8.96E+3n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
HTS was performed on a total of 33,068 compounds of the MLSCN library, 23,017 of which were not in the mixture HTS plates used previously. These comp...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2PV6HQB
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM33434
PNG
(1-(2-methyl-3-furoyl)-1H-1,2,3-benzotriazole | 1-b...)
Show SMILES Cc1occc1C(=O)n1nnc2ccccc12
Show InChI InChI=1S/C12H9N3O2/c1-8-9(6-7-17-8)12(16)15-11-5-3-2-4-10(11)13-14-15/h2-7H,1H3
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a<6.00E+5n/an/an/an/an/an/a



University of California San Francisco

Curated by ChEMBL


Assay Description
Inhibition of cruzain


J Med Chem 51: 2502-11 (2008)


Article DOI: 10.1021/jm701500e
BindingDB Entry DOI: 10.7270/Q23R0TQG
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM33434
PNG
(1-(2-methyl-3-furoyl)-1H-1,2,3-benzotriazole | 1-b...)
Show SMILES Cc1occc1C(=O)n1nnc2ccccc12
Show InChI InChI=1S/C12H9N3O2/c1-8-9(6-7-17-8)12(16)15-11-5-3-2-4-10(11)13-14-15/h2-7H,1H3
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.06E+5n/an/an/an/an/an/a



University of California San Francisco

Curated by ChEMBL


Assay Description
Inhibition of cruzain


J Med Chem 51: 2502-11 (2008)


Article DOI: 10.1021/jm701500e
BindingDB Entry DOI: 10.7270/Q23R0TQG
More data for this
Ligand-Target Pair
Factor XIIa


(Homo sapiens (Human))
BDBM33434
PNG
(1-(2-methyl-3-furoyl)-1H-1,2,3-benzotriazole | 1-b...)
Show SMILES Cc1occc1C(=O)n1nnc2ccccc12
Show InChI InChI=1S/C12H9N3O2/c1-8-9(6-7-17-8)12(16)15-11-5-3-2-4-10(11)13-14-15/h2-7H,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 8.96E+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