BindingDB logo
myBDB logout

BDBM50130869 CHEMBL3632758

SMILES: NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(n1)N1CCCCC1

InChI Key: InChIKey=OQIRNRXCCUYMFO-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50130869   
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
Hepsin


(Homo sapiens (Human))
BDBM50130869
PNG
(CHEMBL3632758)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(n1)N1CCCCC1
Show InChI InChI=1S/C19H21N5/c20-19(21)13-7-8-15-14(11-13)12-17(22-15)16-5-4-6-18(23-16)24-9-2-1-3-10-24/h4-8,11-12,22H,1-3,9-10H2,(H3,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

PubMed
600n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hepsin by fluorescence based assay using 65 uM BOC-Gln-Arg-Arg -AMC as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)


BindingDB Entry DOI: 10.7270/Q24B335X
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM50130869
PNG
(CHEMBL3632758)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(n1)N1CCCCC1
Show InChI InChI=1S/C19H21N5/c20-19(21)13-7-8-15-14(11-13)12-17(22-15)16-5-4-6-18(23-16)24-9-2-1-3-10-24/h4-8,11-12,22H,1-3,9-10H2,(H3,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
1.50E+3n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matriptase by fluorescence based assay using 20 uM Boc-Gln-Ala-Arg-7-amido-4-methyl coumarinhydrobromide as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)


BindingDB Entry DOI: 10.7270/Q24B335X
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50130869
PNG
(CHEMBL3632758)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(n1)N1CCCCC1
Show InChI InChI=1S/C19H21N5/c20-19(21)13-7-8-15-14(11-13)12-17(22-15)16-5-4-6-18(23-16)24-9-2-1-3-10-24/h4-8,11-12,22H,1-3,9-10H2,(H3,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

PubMed
2.30E+3n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human uPA by fluorescence based assay using L-PyroGlu-Gly-Arg-pNA.HCl as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)


BindingDB Entry DOI: 10.7270/Q24B335X
More data for this
Ligand-Target Pair