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1 similar compounds to monomer 50016527

Compile data set for download or QSAR
Wt: 548.6
BDBM50016528

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50016528   
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
Thrombin


(Bos taurus (Bovine))
BDBM50016528
PNG
(CHEMBL3277925)
Show SMILES Cl.NC(=N)c1ccc(OCc2c(Cl)c(Cl)c(Cl)c(COc3ccc(cc3)C(N)=N)c2Cl)cc1
Show InChI InChI=1S/C22H18Cl4N4O2.ClH/c23-17-15(9-31-13-5-1-11(2-6-13)21(27)28)18(24)20(26)19(25)16(17)10-32-14-7-3-12(4-8-14)22(29)30;/h1-8H,9-10H2,(H3,27,28)(H3,29,30);1H
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.50E+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)
BDBM50016528
PNG
(CHEMBL3277925)
Show SMILES Cl.NC(=N)c1ccc(OCc2c(Cl)c(Cl)c(Cl)c(COc3ccc(cc3)C(N)=N)c2Cl)cc1
Show InChI InChI=1S/C22H18Cl4N4O2.ClH/c23-17-15(9-31-13-5-1-11(2-6-13)21(27)28)18(24)20(26)19(25)16(17)10-32-14-7-3-12(4-8-14)22(29)30;/h1-8H,9-10H2,(H3,27,28)(H3,29,30);1H
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.20E+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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50016528
PNG
(CHEMBL3277925)
Show SMILES Cl.NC(=N)c1ccc(OCc2c(Cl)c(Cl)c(Cl)c(COc3ccc(cc3)C(N)=N)c2Cl)cc1
Show InChI InChI=1S/C22H18Cl4N4O2.ClH/c23-17-15(9-31-13-5-1-11(2-6-13)21(27)28)18(24)20(26)19(25)16(17)10-32-14-7-3-12(4-8-14)22(29)30;/h1-8H,9-10H2,(H3,27,28)(H3,29,30);1H
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human thrombin-mediated blood clotting formation in presence of human fibrinogen


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