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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Complement C1r subcomponent' and Ligand = 'BDBM50075978'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50075978
PNG
(2-Bromo-N-methyl-N-(4-oxo-4H-benzo[d][1,3]oxazin-2...)
Show SMILES CN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccccc1Br
Show InChI InChI=1S/C15H11BrN2O4S/c1-18(23(20,21)13-9-5-3-7-11(13)16)15-17-12-8-4-2-6-10(12)14(19)22-15/h2-9H,1H3
PDB
MMDB

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KEGG

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PC cid
PC sid
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Similars

PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibition of purified human C1r protease.


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


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


(Homo sapiens (Human))
BDBM50075978
PNG
(2-Bromo-N-methyl-N-(4-oxo-4H-benzo[d][1,3]oxazin-2...)
Show SMILES CN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccccc1Br
Show InChI InChI=1S/C15H11BrN2O4S/c1-18(23(20,21)13-9-5-3-7-11(13)16)15-17-12-8-4-2-6-10(12)14(19)22-15/h2-9H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 2.50E+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