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BDBM50016540 CHEMBL3277922

SMILES: Cl.NC(=N)c1ccc(OCc2ccc(COc3ccc(cc3Br)C(N)=N)cc2)c(Br)c1

InChI Key: InChIKey=SAIITVIVBYYQJK-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50016540   
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))
BDBM50016540
PNG
(CHEMBL3277922)
Show SMILES Cl.NC(=N)c1ccc(OCc2ccc(COc3ccc(cc3Br)C(N)=N)cc2)c(Br)c1
Show InChI InChI=1S/C22H20Br2N4O2.ClH/c23-17-9-15(21(25)26)5-7-19(17)29-11-13-1-2-14(4-3-13)12-30-20-8-6-16(22(27)28)10-18(20)24;/h1-10H,11-12H2,(H3,25,26)(H3,27,28);1H
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
160n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of amidase activity of bovine thrombin using BPVANA 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)
BDBM50016540
PNG
(CHEMBL3277922)
Show SMILES Cl.NC(=N)c1ccc(OCc2ccc(COc3ccc(cc3Br)C(N)=N)cc2)c(Br)c1
Show InChI InChI=1S/C22H20Br2N4O2.ClH/c23-17-9-15(21(25)26)5-7-19(17)29-11-13-1-2-14(4-3-13)12-30-20-8-6-16(22(27)28)10-18(20)24;/h1-10H,11-12H2,(H3,25,26)(H3,27,28);1H
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
710n/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