BindingDB logo
myBDB logout

null

SMILES: COCc1nn(Cc2cnc(nc2)N2CCCC2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1ccnn1

InChI Key:

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 = 598513   
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
Plasma kallikrein


(Homo sapiens (Human))
BDBM598513
PNG
(N-{[2-fluoro-3-methoxy-6-(1,2,3-triazol-1-yl)pheny...)
Show SMILES COCc1nn(Cc2cnc(nc2)N2CCCC2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1ccnn1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a


TBA

Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5ZZZ
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM598513
PNG
(N-{[2-fluoro-3-methoxy-6-(1,2,3-triazol-1-yl)pheny...)
Show SMILES COCc1nn(Cc2cnc(nc2)N2CCCC2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1ccnn1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 970n/an/an/an/an/an/a


TBA

Assay Description
FXIa inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5ZZZ
More data for this
Ligand-Target Pair
Kallikrein-1


(Homo sapiens (Human))
BDBM598513
PNG
(N-{[2-fluoro-3-methoxy-6-(1,2,3-triazol-1-yl)pheny...)
Show SMILES COCc1nn(Cc2cnc(nc2)N2CCCC2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1ccnn1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>4.00E+4n/an/an/an/an/an/a


TBA

Assay Description
KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5ZZZ
More data for this
Ligand-Target Pair