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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 = 'BDBM50063714'   
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))
BDBM50063714
PNG
(6-Chloro-2-(2-iodo-phenylamino)-benzo[d][1,3]oxazi...)
Show SMILES Clc1ccc2nc(Nc3ccccc3I)oc(=O)c2c1
Show InChI InChI=1S/C14H8ClIN2O2/c15-8-5-6-11-9(7-8)13(19)20-14(17-11)18-12-4-2-1-3-10(12)16/h1-7H,(H,17,18)
PDB
MMDB

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Article
PubMed
n/an/a 4.00E+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
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50063714
PNG
(6-Chloro-2-(2-iodo-phenylamino)-benzo[d][1,3]oxazi...)
Show SMILES Clc1ccc2nc(Nc3ccccc3I)oc(=O)c2c1
Show InChI InChI=1S/C14H8ClIN2O2/c15-8-5-6-11-9(7-8)13(19)20-14(17-11)18-12-4-2-1-3-10(12)16/h1-7H,(H,17,18)
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>6.25E+4n/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