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BDBM50069121 CHEMBL3403521

SMILES: CCc1cc(cc2c(C)coc12)C(Nc1ccc(cc1)C(N)=N)C(=O)NS(=O)(=O)c1cn(C)cn1

InChI Key: InChIKey=LEMRRMFCXFRTIF-UHFFFAOYNA-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 = 50069121   
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))
BDBM50069121
PNG
(CHEMBL3403521)
Show SMILES CCc1cc(cc2c(C)coc12)C(Nc1ccc(cc1)C(N)=N)C(=O)NS(=O)(=O)c1cn(C)cn1
Show InChI InChI=1/C24H26N6O4S/c1-4-15-9-17(10-19-14(2)12-34-22(15)19)21(28-18-7-5-16(6-8-18)23(25)26)24(31)29-35(32,33)20-11-30(3)13-27-20/h5-13,21,28H,4H2,1-3H3,(H3,25,26)(H,29,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
553n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of hepsin (unknown origin) using Boc-QAR-AMC as substrate after 30 mins prior to substrate addition by fluorescence assay


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
BindingDB Entry DOI: 10.7270/Q23F4RB4
More data for this
Ligand-Target Pair
Hepatocyte growth factor activator


(Homo sapiens (Human))
BDBM50069121
PNG
(CHEMBL3403521)
Show SMILES CCc1cc(cc2c(C)coc12)C(Nc1ccc(cc1)C(N)=N)C(=O)NS(=O)(=O)c1cn(C)cn1
Show InChI InChI=1/C24H26N6O4S/c1-4-15-9-17(10-19-14(2)12-34-22(15)19)21(28-18-7-5-16(6-8-18)23(25)26)24(31)29-35(32,33)20-11-30(3)13-27-20/h5-13,21,28H,4H2,1-3H3,(H3,25,26)(H,29,31)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.10E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged HGFA (unknown origin) expressed in baculovirus-infected Sf9 cells using Boc-QLR-AMC as substrate incu...


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
BindingDB Entry DOI: 10.7270/Q23F4RB4
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM50069121
PNG
(CHEMBL3403521)
Show SMILES CCc1cc(cc2c(C)coc12)C(Nc1ccc(cc1)C(N)=N)C(=O)NS(=O)(=O)c1cn(C)cn1
Show InChI InChI=1/C24H26N6O4S/c1-4-15-9-17(10-19-14(2)12-34-22(15)19)21(28-18-7-5-16(6-8-18)23(25)26)24(31)29-35(32,33)20-11-30(3)13-27-20/h5-13,21,28H,4H2,1-3H3,(H3,25,26)(H,29,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.18E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of matripase (unknown origin) using Boc-QAR-AMC as substrate incubated for 30 mins prior to substrate addition by fluorescence assay


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
BindingDB Entry DOI: 10.7270/Q23F4RB4
More data for this
Ligand-Target Pair