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BDBM50075980 4-Chloro-N-ethyl-N-(4-oxo-4H-benzo[d][1,3]oxazin-2-yl)-benzenesulfonamide::CHEMBL165932

SMILES: CCN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccc(Cl)cc1

InChI Key: InChIKey=VOCVGPVNQLFNDS-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50075980   
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))
BDBM50075980
PNG
(4-Chloro-N-ethyl-N-(4-oxo-4H-benzo[d][1,3]oxazin-2...)
Show SMILES CCN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13ClN2O4S/c1-2-19(24(21,22)12-9-7-11(17)8-10-12)16-18-14-6-4-3-5-13(14)15(20)23-16/h3-10H,2H2,1H3
PDB
MMDB

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PC cid
PC sid
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Similars

PubMed
n/an/a 6.20E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory activity against purified human C1r protease incubated in buffer for 60 minutes


Bioorg Med Chem Lett 9: 815-20 (1999)


BindingDB Entry DOI: 10.7270/Q29G5M0K
More data for this
Ligand-Target Pair
Complement C1r


(Homo sapiens (Human))
BDBM50075980
PNG
(4-Chloro-N-ethyl-N-(4-oxo-4H-benzo[d][1,3]oxazin-2...)
Show SMILES CCN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13ClN2O4S/c1-2-19(24(21,22)12-9-7-11(17)8-10-12)16-18-14-6-4-3-5-13(14)15(20)23-16/h3-10H,2H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory activity against purified human C1r protease incubated in buffer for 60 minutes


Bioorg Med Chem Lett 9: 815-20 (1999)


BindingDB Entry DOI: 10.7270/Q29G5M0K
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50075980
PNG
(4-Chloro-N-ethyl-N-(4-oxo-4H-benzo[d][1,3]oxazin-2...)
Show SMILES CCN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13ClN2O4S/c1-2-19(24(21,22)12-9-7-11(17)8-10-12)16-18-14-6-4-3-5-13(14)15(20)23-16/h3-10H,2H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 930n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro for inhibition of purified bovine trypsin.


Bioorg Med Chem Lett 9: 815-20 (1999)


BindingDB Entry DOI: 10.7270/Q29G5M0K
More data for this
Ligand-Target Pair