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BDBM50201429 2-(1-carbamimidoylpiperidin-3-yl)-3-mercaptopropanoic acid::CHEMBL245589

SMILES: NC(=N)N1CCCC(C1)C(CS)C(O)=O

InChI Key: InChIKey=HNBJSRXHGCYXNR-UHFFFAOYSA-N

Data: 5 IC50

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 = 50201429   
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
Carboxypeptidase N, catalytic subunit


(Homo sapiens)
BDBM50201429
PNG
(2-(1-carbamimidoylpiperidin-3-yl)-3-mercaptopropan...)
Show SMILES NC(=N)N1CCCC(C1)C(CS)C(O)=O
Show InChI InChI=1S/C9H17N3O2S/c10-9(11)12-3-1-2-6(4-12)7(5-15)8(13)14/h6-7,15H,1-5H2,(H3,10,11)(H,13,14)
PDB
MMDB

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PC sid
UniChem
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PubMed
n/an/a 58n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of human carboxypeptidase N


Bioorg Med Chem Lett 17: 1349-54 (2007)

More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50201429
PNG
(2-(1-carbamimidoylpiperidin-3-yl)-3-mercaptopropan...)
Show SMILES NC(=N)N1CCCC(C1)C(CS)C(O)=O
Show InChI InChI=1S/C9H17N3O2S/c10-9(11)12-3-1-2-6(4-12)7(5-15)8(13)14/h6-7,15H,1-5H2,(H3,10,11)(H,13,14)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic carboxypeptidase B


Bioorg Med Chem Lett 17: 1349-54 (2007)

More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50201429
PNG
(2-(1-carbamimidoylpiperidin-3-yl)-3-mercaptopropan...)
Show SMILES NC(=N)N1CCCC(C1)C(CS)C(O)=O
Show InChI InChI=1S/C9H17N3O2S/c10-9(11)12-3-1-2-6(4-12)7(5-15)8(13)14/h6-7,15H,1-5H2,(H3,10,11)(H,13,14)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic carboxypeptidase B


Bioorg Med Chem Lett 17: 1349-54 (2007)

More data for this
Ligand-Target Pair
Carboxypeptidase N, catalytic subunit


(Homo sapiens)
BDBM50201429
PNG
(2-(1-carbamimidoylpiperidin-3-yl)-3-mercaptopropan...)
Show SMILES NC(=N)N1CCCC(C1)C(CS)C(O)=O
Show InChI InChI=1S/C9H17N3O2S/c10-9(11)12-3-1-2-6(4-12)7(5-15)8(13)14/h6-7,15H,1-5H2,(H3,10,11)(H,13,14)
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 58n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of human carboxypeptidase N


Bioorg Med Chem Lett 17: 1349-54 (2007)

More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50201429
PNG
(2-(1-carbamimidoylpiperidin-3-yl)-3-mercaptopropan...)
Show SMILES NC(=N)N1CCCC(C1)C(CS)C(O)=O
Show InChI InChI=1S/C9H17N3O2S/c10-9(11)12-3-1-2-6(4-12)7(5-15)8(13)14/h6-7,15H,1-5H2,(H3,10,11)(H,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 165n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of human activated thrombin activatable fibrinolysis inhibitor


Bioorg Med Chem Lett 17: 1349-54 (2007)

More data for this
Ligand-Target Pair