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BDBM164185 US9687479, 402 N-benzyl-1-[(furan-3-yl)carbonyl]-3-(pyridin-4-yl)-1H-1,2,4-triazol-5-amine::US9687479, 407 N-benzyl-3-(pyridin-4-yl)-1-[(thiophen-3-yl)carbonyl]-1H-1,2,4-triazol-5-amine

SMILES: O=C(c1ccoc1)n1nc(nc1NCc1ccccc1)-c1ccncc1

InChI Key: InChIKey=DDZQUXJBMPJFPD-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 164185   
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
Plasma kallikrein


(Homo sapiens (Human))
BDBM164185
PNG
(US9687479, 402 N-benzyl-1-[(furan-3-yl)carbonyl]-3...)
Show SMILES O=C(c1ccoc1)n1nc(nc1NCc1ccccc1)-c1ccncc1
Show InChI InChI=1S/C19H15N5O2/c25-18(16-8-11-26-13-16)24-19(21-12-14-4-2-1-3-5-14)22-17(23-24)15-6-9-20-10-7-15/h1-11,13H,12H2,(H,21,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+4n/an/an/an/a7.425



VERSEON CORPORATION

US Patent


Assay Description
Human KLKB1 protein was obtained from Enzyme Research Labs. The chromogenic substrate S-2302 was obtained from DiaPharma. KLKB1 was assayed in buffer...


US Patent US9687479 (2017)


BindingDB Entry DOI: 10.7270/Q2N29V4R
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM164185
PNG
(US9687479, 402 N-benzyl-1-[(furan-3-yl)carbonyl]-3...)
Show SMILES O=C(c1ccoc1)n1nc(nc1NCc1ccccc1)-c1ccncc1
Show InChI InChI=1S/C19H15N5O2/c25-18(16-8-11-26-13-16)24-19(21-12-14-4-2-1-3-5-14)22-17(23-24)15-6-9-20-10-7-15/h1-11,13H,12H2,(H,21,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/a7.425



VERSEON CORPORATION

US Patent


Assay Description
Human KLKB1 protein was obtained from Enzyme Research Labs. The chromogenic substrate S-2302 was obtained from DiaPharma. KLKB1 was assayed in buffer...


US Patent US9687479 (2017)


BindingDB Entry DOI: 10.7270/Q2N29V4R
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM164185
PNG
(US9687479, 402 N-benzyl-1-[(furan-3-yl)carbonyl]-3...)
Show SMILES O=C(c1ccoc1)n1nc(nc1NCc1ccccc1)-c1ccncc1
Show InChI InChI=1S/C19H15N5O2/c25-18(16-8-11-26-13-16)24-19(21-12-14-4-2-1-3-5-14)22-17(23-24)15-6-9-20-10-7-15/h1-11,13H,12H2,(H,21,22,23)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+5n/an/an/an/a7.537



VERSEON CORPORATION

US Patent


Assay Description
Recombinant human tissue kallikrein (KLK1) was obtained from R&D Systems. Pro-Phe-Arg-AMC (I-1295) substrate was obtained from Bachem. KLK1 enzyme is...


US Patent US9687479 (2017)


BindingDB Entry DOI: 10.7270/Q2N29V4R
More data for this
Ligand-Target Pair