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2 similar compounds to monomer 50074093

Compile data set for download or QSAR
Wt: 328.4
BDBM50066767
Wt: 328.4
BDBM50066773

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50066767,50066773   
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))
BDBM50066773
PNG
((3R,6S,8aS)-6-Amino-5-oxo-hexahydro-thiazolo[3,2-a...)
Show SMILES N[C@H]1CC[C@@H]2SC[C@H](N2C1=O)C(=O)NCCCCNC(N)=N
Show InChI InChI=1S/C13H24N6O2S/c14-8-3-4-10-19(12(8)21)9(7-22-10)11(20)17-5-1-2-6-18-13(15)16/h8-10H,1-7,14H2,(H,17,20)(H4,15,16,18)/t8-,9-,10-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.58E+3n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Invitro inhibition was measured against Human bovine pancreatic trypsin.


J Med Chem 41: 3664-74 (1998)


Article DOI: 10.1021/jm981013e
BindingDB Entry DOI: 10.7270/Q22R3QSZ
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50066767
PNG
((3R,6R,8aS)-6-Amino-5-oxo-hexahydro-thiazolo[3,2-a...)
Show SMILES N[C@@H]1CC[C@@H]2SC[C@H](N2C1=O)C(=O)NCCCCNC(N)=N
Show InChI InChI=1S/C13H24N6O2S/c14-8-3-4-10-19(12(8)21)9(7-22-10)11(20)17-5-1-2-6-18-13(15)16/h8-10H,1-7,14H2,(H,17,20)(H4,15,16,18)/t8-,9+,10+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.36E+3n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Invitro inhibition was measured against Human bovine pancreatic trypsin.


J Med Chem 41: 3664-74 (1998)


Article DOI: 10.1021/jm981013e
BindingDB Entry DOI: 10.7270/Q22R3QSZ
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50066773
PNG
((3R,6S,8aS)-6-Amino-5-oxo-hexahydro-thiazolo[3,2-a...)
Show SMILES N[C@H]1CC[C@@H]2SC[C@H](N2C1=O)C(=O)NCCCCNC(N)=N
Show InChI InChI=1S/C13H24N6O2S/c14-8-3-4-10-19(12(8)21)9(7-22-10)11(20)17-5-1-2-6-18-13(15)16/h8-10H,1-7,14H2,(H,17,20)(H4,15,16,18)/t8-,9-,10-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.95E+4n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Invitro inhibition was measured against Human Thrombin.


J Med Chem 41: 3664-74 (1998)


Article DOI: 10.1021/jm981013e
BindingDB Entry DOI: 10.7270/Q22R3QSZ
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50066767
PNG
((3R,6R,8aS)-6-Amino-5-oxo-hexahydro-thiazolo[3,2-a...)
Show SMILES N[C@@H]1CC[C@@H]2SC[C@H](N2C1=O)C(=O)NCCCCNC(N)=N
Show InChI InChI=1S/C13H24N6O2S/c14-8-3-4-10-19(12(8)21)9(7-22-10)11(20)17-5-1-2-6-18-13(15)16/h8-10H,1-7,14H2,(H,17,20)(H4,15,16,18)/t8-,9+,10+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.24E+4n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Invitro inhibition was measured against Human Thrombin.


J Med Chem 41: 3664-74 (1998)


Article DOI: 10.1021/jm981013e
BindingDB Entry DOI: 10.7270/Q22R3QSZ
More data for this
Ligand-Target Pair