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BDBM50063740 2-(2,6-Dichloro-phenylamino)-7-trifluoromethyl-benzo[d][1,3]oxazin-4-one::CHEMBL10527

SMILES: FC(F)(F)c1ccc2c(c1)nc(Nc1c(Cl)cccc1Cl)oc2=O

InChI Key: InChIKey=LNIQRYXSVPXCDJ-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 = 50063740   
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
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50063740
PNG
(2-(2,6-Dichloro-phenylamino)-7-trifluoromethyl-ben...)
Show SMILES FC(F)(F)c1ccc2c(c1)nc(Nc1c(Cl)cccc1Cl)oc2=O
Show InChI InChI=1S/C15H7Cl2F3N2O2/c16-9-2-1-3-10(17)12(9)22-14-21-11-6-7(15(18,19)20)4-5-8(11)13(23)24-14/h1-6H,(H,21,22)
PDB
MMDB

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Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of 50% of human C1r Serine Protease by initially using CbzGly-Arg-S-Bzl as substrate


J Med Chem 41: 1060-7 (1998)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50063740
PNG
(2-(2,6-Dichloro-phenylamino)-7-trifluoromethyl-ben...)
Show SMILES FC(F)(F)c1ccc2c(c1)nc(Nc1c(Cl)cccc1Cl)oc2=O
Show InChI InChI=1S/C15H7Cl2F3N2O2/c16-9-2-1-3-10(17)12(9)22-14-21-11-6-7(15(18,19)20)4-5-8(11)13(23)24-14/h1-6H,(H,21,22)
PDB
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KEGG

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B.MOAD
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 8.71E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Concentration of compound required to inhibit 50% trypsin derived from bovine pancreas


J Med Chem 41: 1060-7 (1998)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50063740
PNG
(2-(2,6-Dichloro-phenylamino)-7-trifluoromethyl-ben...)
Show SMILES FC(F)(F)c1ccc2c(c1)nc(Nc1c(Cl)cccc1Cl)oc2=O
Show InChI InChI=1S/C15H7Cl2F3N2O2/c16-9-2-1-3-10(17)12(9)22-14-21-11-6-7(15(18,19)20)4-5-8(11)13(23)24-14/h1-6H,(H,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.20E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
50% inhibition of human C1r serine protease after 60 mins using CbzGly-Arg-S-Bzl as substrate


J Med Chem 41: 1060-7 (1998)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
More data for this
Ligand-Target Pair