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BDBM50016538 CHEMBL3277933

SMILES: Cl.NC(=N)c1ccc(OCc2cc(COc3ccc(cc3)C(N)=N)c3ccccc3c2)cc1

InChI Key: InChIKey=ZGMXBKPMZNPXJG-UHFFFAOYSA-N

Data: 2 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50016538   
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
Glandular kallikrein


(Sus scrofa)
BDBM50016538
PNG
(CHEMBL3277933)
Show SMILES NC(=N)c1ccc(OCc2cc(COc3ccc(cc3)C(N)=N)c3ccccc3c2)cc1
Show InChI InChI=1S/C26H24N4O2.ClH/c27-25(28)18-5-9-22(10-6-18)31-15-17-13-20-3-1-2-4-24(20)21(14-17)16-32-23-11-7-19(8-12-23)26(29)30;/h1-14H,15-16H2,(H3,27,28)(H3,29,30);1H
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
1.04E+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


(Bos taurus (Bovine))
BDBM50016538
PNG
(CHEMBL3277933)
Show SMILES NC(=N)c1ccc(OCc2cc(COc3ccc(cc3)C(N)=N)c3ccccc3c2)cc1
Show InChI InChI=1S/C26H24N4O2.ClH/c27-25(28)18-5-9-22(10-6-18)31-15-17-13-20-3-1-2-4-24(20)21(14-17)16-32-23-11-7-19(8-12-23)26(29)30;/h1-14H,15-16H2,(H3,27,28)(H3,29,30);1H
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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 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
Prothrombin


(Homo sapiens (Human))
BDBM50016538
PNG
(CHEMBL3277933)
Show SMILES NC(=N)c1ccc(OCc2cc(COc3ccc(cc3)C(N)=N)c3ccccc3c2)cc1
Show InChI InChI=1S/C26H24N4O2.ClH/c27-25(28)18-5-9-22(10-6-18)31-15-17-13-20-3-1-2-4-24(20)21(14-17)16-32-23-11-7-19(8-12-23)26(29)30;/h1-14H,15-16H2,(H3,27,28)(H3,29,30);1H
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+4n/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