new BindingDB logo
myBDB logout

BDBM50081158 2-((R)-3-Amino-3-benzyl-2-oxo-piperidin-1-yl)-N-((S)-1-carbamimidoyl-2-hydroxy-piperidin-3-yl)-acetamide::CHEMBL314914::CHEMBL79422

SMILES: NC(=N)N1CCC[C@H](NC(=O)CN2CCC[C@@](N)(Cc3ccccc3)C2=O)C1O

InChI Key: InChIKey=MJWDBCUSOIFRIS-UUAFEJJZSA-N

Data: 1 KI  2 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 3 hits for monomerid = 50081158   
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50081158
PNG
(2-((R)-3-Amino-3-benzyl-2-oxo-piperidin-1-yl)-N-((...)
Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCC[C@@](N)(Cc3ccccc3)C2=O)C1O
Show InChI InChI=1S/C20H30N6O3/c21-19(22)26-11-4-8-15(17(26)28)24-16(27)13-25-10-5-9-20(23,18(25)29)12-14-6-2-1-3-7-14/h1-3,6-7,15,17,28H,4-5,8-13,23H2,(H3,21,22)(H,24,27)/t15-,17?,20+/m0/s1
PDB

UniProtKB/SwissProt

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



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Evaluation of inhibition of transition state thrombin


Bioorg Med Chem Lett 9: 2625-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JW8D3W
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50081158
PNG
(2-((R)-3-Amino-3-benzyl-2-oxo-piperidin-1-yl)-N-((...)
Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCC[C@@](N)(Cc3ccccc3)C2=O)C1O
Show InChI InChI=1S/C20H30N6O3/c21-19(22)26-11-4-8-15(17(26)28)24-16(27)13-25-10-5-9-20(23,18(25)29)12-14-6-2-1-3-7-14/h1-3,6-7,15,17,28H,4-5,8-13,23H2,(H3,21,22)(H,24,27)/t15-,17?,20+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 139n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against human trypsin


Bioorg Med Chem Lett 7: 2421-2426 (1997)


Article DOI: 10.1016/S0960-894X(97)00446-0
BindingDB Entry DOI: 10.7270/Q2X92B91
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50081158
PNG
(2-((R)-3-Amino-3-benzyl-2-oxo-piperidin-1-yl)-N-((...)
Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCC[C@@](N)(Cc3ccccc3)C2=O)C1O
Show InChI InChI=1S/C20H30N6O3/c21-19(22)26-11-4-8-15(17(26)28)24-16(27)13-25-10-5-9-20(23,18(25)29)12-14-6-2-1-3-7-14/h1-3,6-7,15,17,28H,4-5,8-13,23H2,(H3,21,22)(H,24,27)/t15-,17?,20+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 2.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Coagulation factor II


Bioorg Med Chem Lett 7: 2421-2426 (1997)


Article DOI: 10.1016/S0960-894X(97)00446-0
BindingDB Entry DOI: 10.7270/Q2X92B91
More data for this
Ligand-Target Pair