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BDBM50029514 (S)-1-((R)-2-Acetylamino-2-phenyl-propionyl)-azetidine-2-carboxylic acid ((S)-1-formyl-4-guanidino-butyl)-amide::CHEMBL337799

SMILES: CC(=O)N[C@@](C)(C(=O)N1CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1

InChI Key: InChIKey=ZWKSSXGHRSZDSR-XGHQBKJUSA-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 = 50029514   
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
Trypsin


(Bos taurus (bovine))
BDBM50029514
PNG
((S)-1-((R)-2-Acetylamino-2-phenyl-propionyl)-azeti...)
Show SMILES CC(=O)N[C@@](C)(C(=O)N1CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1
Show InChI InChI=1S/C21H30N6O4/c1-14(29)26-21(2,15-7-4-3-5-8-15)19(31)27-12-10-17(27)18(30)25-16(13-28)9-6-11-24-20(22)23/h3-5,7-8,13,16-17H,6,9-12H2,1-2H3,(H,25,30)(H,26,29)(H4,22,23,24)/t16-,17-,21+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 11n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Trypsin


J Med Chem 38: 4446-53 (1995)


BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50029514
PNG
((S)-1-((R)-2-Acetylamino-2-phenyl-propionyl)-azeti...)
Show SMILES CC(=O)N[C@@](C)(C(=O)N1CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1
Show InChI InChI=1S/C21H30N6O4/c1-14(29)26-21(2,15-7-4-3-5-8-15)19(31)27-12-10-17(27)18(30)25-16(13-28)9-6-11-24-20(22)23/h3-5,7-8,13,16-17H,6,9-12H2,1-2H3,(H,25,30)(H,26,29)(H4,22,23,24)/t16-,17-,21+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 7.50E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Plasmin


J Med Chem 38: 4446-53 (1995)


BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50029514
PNG
((S)-1-((R)-2-Acetylamino-2-phenyl-propionyl)-azeti...)
Show SMILES CC(=O)N[C@@](C)(C(=O)N1CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1
Show InChI InChI=1S/C21H30N6O4/c1-14(29)26-21(2,15-7-4-3-5-8-15)19(31)27-12-10-17(27)18(30)25-16(13-28)9-6-11-24-20(22)23/h3-5,7-8,13,16-17H,6,9-12H2,1-2H3,(H,25,30)(H,26,29)(H4,22,23,24)/t16-,17-,21+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 19n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Thrombin


J Med Chem 38: 4446-53 (1995)


BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)
BDBM50029514
PNG
((S)-1-((R)-2-Acetylamino-2-phenyl-propionyl)-azeti...)
Show SMILES CC(=O)N[C@@](C)(C(=O)N1CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1
Show InChI InChI=1S/C21H30N6O4/c1-14(29)26-21(2,15-7-4-3-5-8-15)19(31)27-12-10-17(27)18(30)25-16(13-28)9-6-11-24-20(22)23/h3-5,7-8,13,16-17H,6,9-12H2,1-2H3,(H,25,30)(H,26,29)(H4,22,23,24)/t16-,17-,21+/m0/s1
PDB
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Reactome pathway
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PubMed
n/an/a 8.60E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Coagulation factor X


J Med Chem 38: 4446-53 (1995)


BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50029514
PNG
((S)-1-((R)-2-Acetylamino-2-phenyl-propionyl)-azeti...)
Show SMILES CC(=O)N[C@@](C)(C(=O)N1CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1
Show InChI InChI=1S/C21H30N6O4/c1-14(29)26-21(2,15-7-4-3-5-8-15)19(31)27-12-10-17(27)18(30)25-16(13-28)9-6-11-24-20(22)23/h3-5,7-8,13,16-17H,6,9-12H2,1-2H3,(H,25,30)(H,26,29)(H4,22,23,24)/t16-,17-,21+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.50E+5n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity against t-PA(Tissue plasminogen activator).


J Med Chem 38: 4446-53 (1995)


BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair