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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50073128   
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
Chymotrypsinogen B


(Bos taurus)
BDBM50073128
PNG
((S)-2-(3-tert-Butoxycarbonylamino-2,2-dimethyl-non...)
Show SMILES CCCCCCC(NC(=O)OC(C)(C)C)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC
Show InChI InChI=1S/C27H44N2O5/c1-8-10-11-15-18-22(29-25(32)34-26(3,4)5)27(6,7)24(31)28-21(23(30)33-9-2)19-20-16-13-12-14-17-20/h12-14,16-17,21-22H,8-11,15,18-19H2,1-7H3,(H,28,31)(H,29,32)/t21-,22?/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine alpha chymotrypsin.


J Med Chem 42: 312-23 (1999)


Article DOI: 10.1021/jm980562h
BindingDB Entry DOI: 10.7270/Q2930SBF
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50073128
PNG
((S)-2-(3-tert-Butoxycarbonylamino-2,2-dimethyl-non...)
Show SMILES CCCCCCC(NC(=O)OC(C)(C)C)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC
Show InChI InChI=1S/C27H44N2O5/c1-8-10-11-15-18-22(29-25(32)34-26(3,4)5)27(6,7)24(31)28-21(23(30)33-9-2)19-20-16-13-12-14-17-20/h12-14,16-17,21-22H,8-11,15,18-19H2,1-7H3,(H,28,31)(H,29,32)/t21-,22?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.30E+3n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Compound was tested by chromogenic assay for the inhibition of serine proteases like Bovine trypsin


J Med Chem 42: 312-23 (1999)


Article DOI: 10.1021/jm980562h
BindingDB Entry DOI: 10.7270/Q2930SBF
More data for this
Ligand-Target Pair