BindingDB logo
myBDB logout

BDBM357171 US10214512, Example 127

SMILES: CCc1[nH]c2nc1-c1ccc(NC(=O)OC)cc1NC(=O)CCCC[C@@H]2c1ccc(c[n+]1[O-])-c1c(F)cccc1OC(F)F

InChI Key:

Data: 2 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 2 hits for monomerid = 357171   
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
Coagulation factor XI


(Homo sapiens (Human))
BDBM357171
PNG
(US10214512, Example 127)
Show SMILES CCc1[nH]c2nc1-c1ccc(NC(=O)OC)cc1NC(=O)CCCC[C@@H]2c1ccc(c[n+]1[O-])-c1c(F)cccc1OC(F)F |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.150n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10214512 (2019)


BindingDB Entry DOI: 10.7270/Q2668GGN
More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM357171
PNG
(US10214512, Example 127)
Show SMILES CCc1[nH]c2nc1-c1ccc(NC(=O)OC)cc1NC(=O)CCCC[C@@H]2c1ccc(c[n+]1[O-])-c1c(F)cccc1OC(F)F |r|
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.44n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10214512 (2019)


BindingDB Entry DOI: 10.7270/Q2668GGN
More data for this
Ligand-Target Pair