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SMILES: CC(O)c1ncc(nc1C(=O)Nc1cnn(c1)C(C)c1cnc(N2C[C@H]3C[C@H]3C2=O)c(C)c1)-c1c(F)c(Cl)ccc1C(F)F

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 8 hits for monomerid = 617998   
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))
BDBM617998
PNG
(6-(3-Chloro-6-(difluoromethyl)-2-fluorophenyl)-3-(...)
Show SMILES CC(O)c1ncc(nc1C(=O)Nc1cnn(c1)C(C)c1cnc(N2C[C@H]3C[C@H]3C2=O)c(C)c1)-c1c(F)c(Cl)ccc1C(F)F
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.400n/an/an/an/an/an/a


TBA



Citation and Details

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


(Homo sapiens (Human))
BDBM617998
PNG
(6-(3-Chloro-6-(difluoromethyl)-2-fluorophenyl)-3-(...)
Show SMILES CC(O)c1ncc(nc1C(=O)Nc1cnn(c1)C(C)c1cnc(N2C[C@H]3C[C@H]3C2=O)c(C)c1)-c1c(F)c(Cl)ccc1C(F)F
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 186n/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))
BDBM617998
PNG
(6-(3-Chloro-6-(difluoromethyl)-2-fluorophenyl)-3-(...)
Show SMILES CC(O)c1ncc(nc1C(=O)Nc1cnn(c1)C(C)c1cnc(N2C[C@H]3C[C@H]3C2=O)c(C)c1)-c1c(F)c(Cl)ccc1C(F)F
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.600n/an/an/an/an/an/a


TBA



Citation and Details

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


(Homo sapiens (Human))
BDBM617998
PNG
(6-(3-Chloro-6-(difluoromethyl)-2-fluorophenyl)-3-(...)
Show SMILES CC(O)c1ncc(nc1C(=O)Nc1cnn(c1)C(C)c1cnc(N2C[C@H]3C[C@H]3C2=O)c(C)c1)-c1c(F)c(Cl)ccc1C(F)F
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2.03E+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))
BDBM617998
PNG
(6-(3-Chloro-6-(difluoromethyl)-2-fluorophenyl)-3-(...)
Show SMILES CC(O)c1ncc(nc1C(=O)Nc1cnn(c1)C(C)c1cnc(N2C[C@H]3C[C@H]3C2=O)c(C)c1)-c1c(F)c(Cl)ccc1C(F)F
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1n/an/an/an/an/an/a


TBA



Citation and Details

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


(Homo sapiens (Human))
BDBM617998
PNG
(6-(3-Chloro-6-(difluoromethyl)-2-fluorophenyl)-3-(...)
Show SMILES CC(O)c1ncc(nc1C(=O)Nc1cnn(c1)C(C)c1cnc(N2C[C@H]3C[C@H]3C2=O)c(C)c1)-c1c(F)c(Cl)ccc1C(F)F
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 354n/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))
BDBM617998
PNG
(6-(3-Chloro-6-(difluoromethyl)-2-fluorophenyl)-3-(...)
Show SMILES CC(O)c1ncc(nc1C(=O)Nc1cnn(c1)C(C)c1cnc(N2C[C@H]3C[C@H]3C2=O)c(C)c1)-c1c(F)c(Cl)ccc1C(F)F
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.900n/an/an/an/an/an/a


TBA



Citation and Details

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


(Homo sapiens (Human))
BDBM617998
PNG
(6-(3-Chloro-6-(difluoromethyl)-2-fluorophenyl)-3-(...)
Show SMILES CC(O)c1ncc(nc1C(=O)Nc1cnn(c1)C(C)c1cnc(N2C[C@H]3C[C@H]3C2=O)c(C)c1)-c1c(F)c(Cl)ccc1C(F)F
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 50n/an/an/an/an/an/a


TBA



Citation and Details

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