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BDBM191636 US9182402, 9

SMILES: Cc1csc(n1)-c1cc2ccc(OCc3c(F)c(F)c(F)c(F)c3F)cc2oc1=O

InChI Key: InChIKey=BZHUMSSMLGBIHU-UHFFFAOYSA-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 = 191636   
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))
BDBM191636
PNG
(US9182402, 9)
Show SMILES Cc1csc(n1)-c1cc2ccc(OCc3c(F)c(F)c(F)c(F)c3F)cc2oc1=O
Show InChI InChI=1S/C20H10F5NO3S/c1-8-7-30-19(26-8)11-4-9-2-3-10(5-13(9)29-20(11)27)28-6-12-14(21)16(23)18(25)17(24)15(12)22/h2-5,7H,6H2,1H3
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))
BDBM191636
PNG
(US9182402, 9)
Show SMILES Cc1csc(n1)-c1cc2ccc(OCc3c(F)c(F)c(F)c(F)c3F)cc2oc1=O
Show InChI InChI=1S/C20H10F5NO3S/c1-8-7-30-19(26-8)11-4-9-2-3-10(5-13(9)29-20(11)27)28-6-12-14(21)16(23)18(25)17(24)15(12)22/h2-5,7H,6H2,1H3
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)
BDBM191636
PNG
(US9182402, 9)
Show SMILES Cc1csc(n1)-c1cc2ccc(OCc3c(F)c(F)c(F)c(F)c3F)cc2oc1=O
Show InChI InChI=1S/C20H10F5NO3S/c1-8-7-30-19(26-8)11-4-9-2-3-10(5-13(9)29-20(11)27)28-6-12-14(21)16(23)18(25)17(24)15(12)22/h2-5,7H,6H2,1H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
US Patent
n/an/a 2.09E+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