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SMILES: CC1CC1C(=O)Nc1ccc(C[C@H](NC(=O)c2c(C)nc(-c3cccc(Cl)c3F)n2O)C(=O)Nc2ccc3[nH]c(cc3c2)C(O)=O)cc1

InChI Key:

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50572517   
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))
BDBM50572517
PNG
(CHEMBL4865339)
Show SMILES CC1CC1C(=O)Nc1ccc(C[C@H](NC(=O)c2c(C)nc(-c3cccc(Cl)c3F)n2O)C(=O)Nc2ccc3[nH]c(cc3c2)C(O)=O)cc1 |r|
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
9n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113437
BindingDB Entry DOI: 10.7270/Q22N5622
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50572517
PNG
(CHEMBL4865339)
Show SMILES CC1CC1C(=O)Nc1ccc(C[C@H](NC(=O)c2c(C)nc(-c3cccc(Cl)c3F)n2O)C(=O)Nc2ccc3[nH]c(cc3c2)C(O)=O)cc1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
192n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to plasma kallikrein (unknown origin) assessed as inhibition constant using D-Pro-Phe,Arg,pNa,2HCl as substrate preincubated for 10 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113437
BindingDB Entry DOI: 10.7270/Q22N5622
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50572517
PNG
(CHEMBL4865339)
Show SMILES CC1CC1C(=O)Nc1ccc(C[C@H](NC(=O)c2c(C)nc(-c3cccc(Cl)c3F)n2O)C(=O)Nc2ccc3[nH]c(cc3c2)C(O)=O)cc1 |r|
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UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
4.19E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to coagulation factor 7a (unknown origin) assessed as inhibition constant using CH3SO2-D-CHA-But-Arg-pNA,ACOH as substrate preincuba...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113437
BindingDB Entry DOI: 10.7270/Q22N5622
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50572517
PNG
(CHEMBL4865339)
Show SMILES CC1CC1C(=O)Nc1ccc(C[C@H](NC(=O)c2c(C)nc(-c3cccc(Cl)c3F)n2O)C(=O)Nc2ccc3[nH]c(cc3c2)C(O)=O)cc1 |r|
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>8.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to coagulation factor 10a (unknown origin) assessed as inhibition constant using CH3OCO-D-CHA-Gly-Arg-pNA,ACOH as substrate preincub...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113437
BindingDB Entry DOI: 10.7270/Q22N5622
More data for this
Ligand-Target Pair