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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50016524   
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
Thrombin


(Bos taurus (Bovine))
BDBM50016524
PNG
(CHEMBL3277919)
Show SMILES Cl.NC(=N)c1cccc(OCc2ccc(COc3cccc(c3)C(N)=N)cc2)c1
Show InChI InChI=1S/C22H22N4O2.ClH/c23-21(24)17-3-1-5-19(11-17)27-13-15-7-9-16(10-8-15)14-28-20-6-2-4-18(12-20)22(25)26;/h1-12H,13-14H2,(H3,23,24)(H3,25,26);1H
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of amidase activity of bovine thrombin using BANA as substrate after 15 to 40 mins


J Med Chem 19: 634-9 (1976)


Article DOI: 10.1021/jm00227a011
BindingDB Entry DOI: 10.7270/Q2KD20FM
More data for this
Ligand-Target Pair
Glandular kallikrein


(Sus scrofa)
BDBM50016524
PNG
(CHEMBL3277919)
Show SMILES Cl.NC(=N)c1cccc(OCc2ccc(COc3cccc(c3)C(N)=N)cc2)c1
Show InChI InChI=1S/C22H22N4O2.ClH/c23-21(24)17-3-1-5-19(11-17)27-13-15-7-9-16(10-8-15)14-28-20-6-2-4-18(12-20)22(25)26;/h1-12H,13-14H2,(H3,23,24)(H3,25,26);1H
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic kallikrein using BANA as substrate after 15 to 180 mins


J Med Chem 19: 634-9 (1976)


Article DOI: 10.1021/jm00227a011
BindingDB Entry DOI: 10.7270/Q2KD20FM
More data for this
Ligand-Target Pair