new BindingDB logo
myBDB logout

BDBM191637 US9182402, 10

SMILES: CC1(C)Cc2oc3c(Br)cc(NS(=O)(=O)c4ccccc4)cc3c2C(=O)C1

InChI Key: InChIKey=IFWIOPLERUOKRU-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 = 191637   
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))
BDBM191637
PNG
(US9182402, 10)
Show SMILES CC1(C)Cc2oc3c(Br)cc(NS(=O)(=O)c4ccccc4)cc3c2C(=O)C1
Show InChI InChI=1S/C20H18BrNO4S/c1-20(2)10-16(23)18-14-8-12(9-15(21)19(14)26-17(18)11-20)22-27(24,25)13-6-4-3-5-7-13/h3-9,22H,10-11H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 930n/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...


Citation and Details
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM191637
PNG
(US9182402, 10)
Show SMILES CC1(C)Cc2oc3c(Br)cc(NS(=O)(=O)c4ccccc4)cc3c2C(=O)C1
Show InChI InChI=1S/C20H18BrNO4S/c1-20(2)10-16(23)18-14-8-12(9-15(21)19(14)26-17(18)11-20)22-27(24,25)13-6-4-3-5-7-13/h3-9,22H,10-11H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

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...


Citation and Details
More data for this
Ligand-Target Pair
Trypsin


(Sus scrofa)
BDBM191637
PNG
(US9182402, 10)
Show SMILES CC1(C)Cc2oc3c(Br)cc(NS(=O)(=O)c4ccccc4)cc3c2C(=O)C1
Show InChI InChI=1S/C20H18BrNO4S/c1-20(2)10-16(23)18-14-8-12(9-15(21)19(14)26-17(18)11-20)22-27(24,25)13-6-4-3-5-7-13/h3-9,22H,10-11H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 7.72E+3n/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...


Citation and Details
More data for this
Ligand-Target Pair