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BDBM50357211 177 J.D.::AMINOCAPROIC ACID::Amicar::Aminocaproic

SMILES: NCCCCCC(O)=O

InChI Key: InChIKey=SLXKOJJOQWFEFD-UHFFFAOYSA-N

Data: 2 KI  2 IC50  1 Kd

PDB links: 47 PDB IDs match this monomer.

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 5 hits for monomerid = 50357211   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Proton-coupled amino acid transporter 1


(Homo sapiens (Human))
BDBM50357211
PNG
(177 J.D. | AMINOCAPROIC ACID | Amicar | Aminocapro...)
Show SMILES NCCCCCC(O)=O
Show InChI InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)
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3.50E+7n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of human PAT1-mediated L-[3H]proline uptake in human Caco2 cells after 10 mins by liquid scintillation counting


Bioorg Med Chem 19: 6409-18 (2011)

Checked by Author
Article DOI: 10.1016/j.bmc.2011.08.058
BindingDB Entry DOI: 10.7270/Q2NZ882D
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50357211
PNG
(177 J.D. | AMINOCAPROIC ACID | Amicar | Aminocapro...)
Show SMILES NCCCCCC(O)=O
Show InChI InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)
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5.30E+7n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of plasmin (unknown origin) assessed as reduction in amidolytic activity


J Med Chem 63: 1445-1472 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01060
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Plasminogen


(Homo sapiens (Human))
BDBM50357211
PNG
(177 J.D. | AMINOCAPROIC ACID | Amicar | Aminocapro...)
Show SMILES NCCCCCC(O)=O
Show InChI InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)
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n/an/a 4.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to full length Glu-plasminogen in human plasma assessed as inhibition of interaction with fibrin in presence of tPA


ACS Med Chem Lett 5: 538-43 (2014)


Article DOI: 10.1021/ml400526d
BindingDB Entry DOI: 10.7270/Q2QJ7JV4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Plasminogen


(Homo sapiens (Human))
BDBM50357211
PNG
(177 J.D. | AMINOCAPROIC ACID | Amicar | Aminocapro...)
Show SMILES NCCCCCC(O)=O
Show InChI InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)
PDB
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n/an/an/a 9.00E+3n/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Binding affinity to human plasminogen K1 domain by ultrafiltration technique


J Med Chem 63: 1445-1472 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01060
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Plasminogen


(Homo sapiens (Human))
BDBM50357211
PNG
(177 J.D. | AMINOCAPROIC ACID | Amicar | Aminocapro...)
Show SMILES NCCCCCC(O)=O
Show InChI InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)
PDB
MMDB

NCI pathway
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KEGG

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CHEBI
DrugBank
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Article
PubMed
n/an/a 1.05E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human full length Glu-plasminogen in buffer assessed as inhibition of interaction with fibrin preincubated for 15 mins followed b...


ACS Med Chem Lett 5: 538-43 (2014)


Article DOI: 10.1021/ml400526d
BindingDB Entry DOI: 10.7270/Q2QJ7JV4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)