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BDBM191633 US9182402, 6

SMILES: [O-][N+](=O)c1cccc(c1)C1Nc2ccc(Cl)cc2C2C=CCC12

InChI Key: InChIKey=QTCBVCMEJTUCSW-UHFFFAOYNA-N

Data: 3 IC50

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 = 191633   
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))
BDBM191633
PNG
(US9182402, 6)
Show SMILES [O-][N+](=O)c1cccc(c1)C1Nc2ccc(Cl)cc2C2C=CCC12 |c:21|
Show InChI InChI=1/C18H15ClN2O2/c19-12-7-8-17-16(10-12)14-5-2-6-15(14)18(20-17)11-3-1-4-13(9-11)21(22)23/h1-5,7-10,14-15,18,20H,6H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
US Patent
n/an/a 980n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

US Patent


Assay Description
To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleav...


US Patent US9182402 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NF7
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM191633
PNG
(US9182402, 6)
Show SMILES [O-][N+](=O)c1cccc(c1)C1Nc2ccc(Cl)cc2C2C=CCC12 |c:21|
Show InChI InChI=1/C18H15ClN2O2/c19-12-7-8-17-16(10-12)14-5-2-6-15(14)18(20-17)11-3-1-4-13(9-11)21(22)23/h1-5,7-10,14-15,18,20H,6H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
US Patent
n/an/a>2.00E+4n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

US Patent


Assay Description
To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleav...


US Patent US9182402 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NF7
More data for this
Ligand-Target Pair
Trypsin


(Sus scrofa)
BDBM191633
PNG
(US9182402, 6)
Show SMILES [O-][N+](=O)c1cccc(c1)C1Nc2ccc(Cl)cc2C2C=CCC12 |c:21|
Show InChI InChI=1/C18H15ClN2O2/c19-12-7-8-17-16(10-12)14-5-2-6-15(14)18(20-17)11-3-1-4-13(9-11)21(22)23/h1-5,7-10,14-15,18,20H,6H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
US Patent
n/an/a 1.02E+4n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

US Patent


Assay Description
To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleav...


US Patent US9182402 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NF7
More data for this
Ligand-Target Pair