BindingDB logo
myBDB logout

BDBM50016537 CHEMBL3277932

SMILES: Cl.NC(=N)c1ccc(OCc2ccc(COc3ccc(cc3)C(N)=N)c3ccccc23)cc1

InChI Key: InChIKey=MNALZWZKBXMLOV-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50016537   
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)
BDBM50016537
PNG
(CHEMBL3277932)
Show SMILES NC(=N)c1ccc(OCc2ccc(COc3ccc(cc3)C(N)=N)c3ccccc23)cc1
Show InChI InChI=1S/C26H24N4O2.ClH/c27-25(28)17-7-11-21(12-8-17)31-15-19-5-6-20(24-4-2-1-3-23(19)24)16-32-22-13-9-18(10-14-22)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
2.50E+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))
BDBM50016537
PNG
(CHEMBL3277932)
Show SMILES NC(=N)c1ccc(OCc2ccc(COc3ccc(cc3)C(N)=N)c3ccccc23)cc1
Show InChI InChI=1S/C26H24N4O2.ClH/c27-25(28)17-7-11-21(12-8-17)31-15-19-5-6-20(24-4-2-1-3-23(19)24)16-32-22-13-9-18(10-14-22)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
6.60E+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