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SMILES: C[C@H](c1cnc(nc1C)N1C[C@H]2C[C@H]2C1=O)n1cc(NC(=O)c2nc(cnc2C)-c2c(F)c(Cl)ccc2C(F)F)cn1

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 2 hits for monomerid = 617830   
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))
BDBM617830
PNG
(US20230286958, Example 42)
Show SMILES C[C@H](c1cnc(nc1C)N1C[C@H]2C[C@H]2C1=O)n1cc(NC(=O)c2nc(cnc2C)-c2c(F)c(Cl)ccc2C(F)F)cn1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.52E+3n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2DB8609
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM617830
PNG
(US20230286958, Example 42)
Show SMILES C[C@H](c1cnc(nc1C)N1C[C@H]2C[C@H]2C1=O)n1cc(NC(=O)c2nc(cnc2C)-c2c(F)c(Cl)ccc2C(F)F)cn1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.700n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2DB8609
More data for this
Ligand-Target Pair