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BDBM50289001 2-(2-Iodo-phenyl)-6,7-dimethoxy-benzo[d][1,3]oxazin-4-one::CHEMBL349763::US9695194, 18

SMILES: COc1cc2nc(oc(=O)c2cc1OC)-c1ccccc1I

InChI Key: InChIKey=HKRJBRGRGFMQJI-UHFFFAOYSA-N

Data: 7 KI  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 9 hits for monomerid = 50289001   
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 7


(Homo sapiens)
BDBM50289001
PNG
(2-(2-Iodo-phenyl)-6,7-dimethoxy-benzo[d][1,3]oxazi...)
Show SMILES COc1cc2nc(oc(=O)c2cc1OC)-c1ccccc1I
Show InChI InChI=1S/C16H12INO4/c1-20-13-7-10-12(8-14(13)21-2)18-15(22-16(10)19)9-5-3-4-6-11(9)17/h3-8H,1-2H3
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100 -9.93n/an/an/an/an/a7.237



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Recombinant human KLK7, Substrate S-2586 (Chromogenics, cat. no. 820894) KLK7 activity was determined at 37° C. in 10 mM Na phosphate ...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM50289001
PNG
(2-(2-Iodo-phenyl)-6,7-dimethoxy-benzo[d][1,3]oxazi...)
Show SMILES COc1cc2nc(oc(=O)c2cc1OC)-c1ccccc1I
Show InChI InChI=1S/C16H12INO4/c1-20-13-7-10-12(8-14(13)21-2)18-15(22-16(10)19)9-5-3-4-6-11(9)17/h3-8H,1-2H3
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MMDB

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1.90E+3 -8.11n/an/an/an/an/a7.237



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Cathepsin G, 100 mU (VWR, Calbiochem, cat. no. 219373), Substrate Cathepsin G substrate (VWR, Calbiochem, cat. no. 219407). Cathepsin acti...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Kallikrein 14


(Homo sapiens)
BDBM50289001
PNG
(2-(2-Iodo-phenyl)-6,7-dimethoxy-benzo[d][1,3]oxazi...)
Show SMILES COc1cc2nc(oc(=O)c2cc1OC)-c1ccccc1I
Show InChI InChI=1S/C16H12INO4/c1-20-13-7-10-12(8-14(13)21-2)18-15(22-16(10)19)9-5-3-4-6-11(9)17/h3-8H,1-2H3
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2.10E+3 -8.05n/an/an/an/an/a8.037



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Recombinant human KLK14, Substrate S-2302 (Chromogenics, cat. no. 820340). KLK14 activity was determined at 37° C. in 0.1 mM Tris, pH ...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens)
BDBM50289001
PNG
(2-(2-Iodo-phenyl)-6,7-dimethoxy-benzo[d][1,3]oxazi...)
Show SMILES COc1cc2nc(oc(=O)c2cc1OC)-c1ccccc1I
Show InChI InChI=1S/C16H12INO4/c1-20-13-7-10-12(8-14(13)21-2)18-15(22-16(10)19)9-5-3-4-6-11(9)17/h3-8H,1-2H3
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4.50E+3 -7.58n/an/an/an/an/a8.037



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Recombinant human KLK5, Substrate S-2288 (Chromogenics, cat. no. 820852) KLK5 activity was determined at 37° C. in 0.1 M Tris, pH 8.0,...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM50289001
PNG
(2-(2-Iodo-phenyl)-6,7-dimethoxy-benzo[d][1,3]oxazi...)
Show SMILES COc1cc2nc(oc(=O)c2cc1OC)-c1ccccc1I
Show InChI InChI=1S/C16H12INO4/c1-20-13-7-10-12(8-14(13)21-2)18-15(22-16(10)19)9-5-3-4-6-11(9)17/h3-8H,1-2H3
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>1.00E+4>-7.09n/an/an/an/an/a7.237



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Chymotrypsin, bovine, 25 ug (Roche, sequence grade), Substrate S-2586 (Chromogenics, cat. no. 82 08 94). Chymotrypsin activity was determi...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50289001
PNG
(2-(2-Iodo-phenyl)-6,7-dimethoxy-benzo[d][1,3]oxazi...)
Show SMILES COc1cc2nc(oc(=O)c2cc1OC)-c1ccccc1I
Show InChI InChI=1S/C16H12INO4/c1-20-13-7-10-12(8-14(13)21-2)18-15(22-16(10)19)9-5-3-4-6-11(9)17/h3-8H,1-2H3
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>1.00E+4>-7.09n/an/an/an/an/a8.337



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Thrombin (Chromogenics, cat. no. 820712), Substrate S-2288 (Chromogenics, cat. no. 82 08 52). Thrombin activity was determined at 37° ...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50289001
PNG
(2-(2-Iodo-phenyl)-6,7-dimethoxy-benzo[d][1,3]oxazi...)
Show SMILES COc1cc2nc(oc(=O)c2cc1OC)-c1ccccc1I
Show InChI InChI=1S/C16H12INO4/c1-20-13-7-10-12(8-14(13)21-2)18-15(22-16(10)19)9-5-3-4-6-11(9)17/h3-8H,1-2H3
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>1.00E+4>-7.09n/an/an/an/an/a7.237



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Trypsin, 100 ug (Roche, sequence grade, Mw 23500), Substrate S-2288 (Chromogenics, cat. no. 820852). Trypsin activity was determined at 3...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50289001
PNG
(2-(2-Iodo-phenyl)-6,7-dimethoxy-benzo[d][1,3]oxazi...)
Show SMILES COc1cc2nc(oc(=O)c2cc1OC)-c1ccccc1I
Show InChI InChI=1S/C16H12INO4/c1-20-13-7-10-12(8-14(13)21-2)18-15(22-16(10)19)9-5-3-4-6-11(9)17/h3-8H,1-2H3
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Article
n/an/a>6.25E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against C1r serine protease


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Complement C1r


(Homo sapiens (Human))
BDBM50289001
PNG
(2-(2-Iodo-phenyl)-6,7-dimethoxy-benzo[d][1,3]oxazi...)
Show SMILES COc1cc2nc(oc(=O)c2cc1OC)-c1ccccc1I
Show InChI InChI=1S/C16H12INO4/c1-20-13-7-10-12(8-14(13)21-2)18-15(22-16(10)19)9-5-3-4-6-11(9)17/h3-8H,1-2H3
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Article
n/an/a>6.25E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of C1r serine protease


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair