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SMILES: CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CC[C@H](O)C1=O

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 36 hits for monomerid = 639349   
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 X


(Homo sapiens (Human))
BDBM639349
PNG
(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Show SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CC[C@H](O)C1=O |r|
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n/an/a 0.710n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM639349
PNG
(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Show SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CC[C@H](O)C1=O |r|
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n/an/a>2.00E+4n/an/an/an/an/an/a


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Citation and Details
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Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM639349
PNG
(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Show SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CC[C@H](O)C1=O |r|
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Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM639349
PNG
(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Show SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CC[C@H](O)C1=O |r|
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Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM639349
PNG
(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Show SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CC[C@H](O)C1=O |r|
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n/an/a 1.60E+4n/an/an/an/an/an/a


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Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM639349
PNG
(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Show SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CC[C@H](O)C1=O |r|
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Ligand-Target Pair
Kallikrein-1


(Homo sapiens (Human))
BDBM639349
PNG
(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Show SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CC[C@H](O)C1=O |r|
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More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM639349
PNG
(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Show SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CC[C@H](O)C1=O |r|
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More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM639349
PNG
(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Show SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CC[C@H](O)C1=O |r|
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More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM639349
PNG
(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Show SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CC[C@H](O)C1=O |r|
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More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM639349
PNG
(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Show SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CC[C@H](O)C1=O |r|
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n/an/a 2.70E+3n/an/an/an/an/an/a


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Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM639349
PNG
(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Show SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CC[C@H](O)C1=O |r|
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Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM639349
PNG
(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Show SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CC[C@H](O)C1=O |r|
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Ligand-Target Pair
Kallikrein-1


(Homo sapiens (Human))
BDBM639349
PNG
(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Show SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CC[C@H](O)C1=O |r|
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Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM639349
PNG
(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Show SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CC[C@H](O)C1=O |r|
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More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM639349
PNG
(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Show SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CC[C@H](O)C1=O |r|
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Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM639349
PNG
(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Show SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CC[C@H](O)C1=O |r|
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Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM639349
PNG
(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Show SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CC[C@H](O)C1=O |r|
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Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM639349
PNG
(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Show SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CC[C@H](O)C1=O |r|
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More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM639349
PNG
(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Show SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CC[C@H](O)C1=O |r|
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Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM639349
PNG
(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Show SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CC[C@H](O)C1=O |r|
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More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM639349
PNG
(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Show SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CC[C@H](O)C1=O |r|
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Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM639349
PNG
(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Show SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CC[C@H](O)C1=O |r|
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More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM639349
PNG
(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Show SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CC[C@H](O)C1=O |r|
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Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM639349
PNG
(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Show SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CC[C@H](O)C1=O |r|
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Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM639349
PNG
(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Show SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CC[C@H](O)C1=O |r|
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Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM639349
PNG
(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Show SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CC[C@H](O)C1=O |r|
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Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM639349
PNG
(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Show SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CC[C@H](O)C1=O |r|
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Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM639349
PNG
(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Show SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CC[C@H](O)C1=O |r|
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Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM639349
PNG
(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Show SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CC[C@H](O)C1=O |r|
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Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM639349
PNG
(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Show SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CC[C@H](O)C1=O |r|
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n/an/a>2.00E+4n/an/an/an/an/an/a


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Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM639349
PNG
(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Show SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CC[C@H](O)C1=O |r|
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Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM639349
PNG
(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Show SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CC[C@H](O)C1=O |r|
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>2.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM639349
PNG
(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Show SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CC[C@H](O)C1=O |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>2.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM639349
PNG
(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Show SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CC[C@H](O)C1=O |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>2.00E+4n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM639349
PNG
(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Show SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CC[C@H](O)C1=O |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 5.30n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair