BindingDB logo
myBDB logout

BDBM50133074 (S)-6-Dimethylamino-2-((R)-3-phenyl-2-phenylmethanesulfonylamino-propionylamino)-hexanoic acid [(S)-4-guanidino-1-(thiazole-2-carbonyl)-butyl]-amide::CHEMBL337654

SMILES: CN(C)CCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1

InChI Key: InChIKey=FDGVLQZTDNVVAA-HZFUHODCSA-N

Data: 3 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 = 50133074   
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
Coagulation factor VII


(Homo sapiens (Human))
BDBM50133074
PNG
((S)-6-Dimethylamino-2-((R)-3-phenyl-2-phenylmethan...)
Show SMILES CN(C)CCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1
Show InChI InChI=1S/C33H46N8O5S2/c1-41(2)20-10-9-16-27(30(43)38-26(17-11-18-37-33(34)35)29(42)32-36-19-21-47-32)39-31(44)28(22-24-12-5-3-6-13-24)40-48(45,46)23-25-14-7-4-8-15-25/h3-8,12-15,19,21,26-28,40H,9-11,16-18,20,22-23H2,1-2H3,(H,38,43)(H,39,44)(H4,34,35,37)/t26-,27-,28+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.82E+3n/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against tissue coagulation factor VII.


J Med Chem 46: 4043-9 (2003)


Article DOI: 10.1021/jm030130t
BindingDB Entry DOI: 10.7270/Q2BC4092
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50133074
PNG
((S)-6-Dimethylamino-2-((R)-3-phenyl-2-phenylmethan...)
Show SMILES CN(C)CCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1
Show InChI InChI=1S/C33H46N8O5S2/c1-41(2)20-10-9-16-27(30(43)38-26(17-11-18-37-33(34)35)29(42)32-36-19-21-47-32)39-31(44)28(22-24-12-5-3-6-13-24)40-48(45,46)23-25-14-7-4-8-15-25/h3-8,12-15,19,21,26-28,40H,9-11,16-18,20,22-23H2,1-2H3,(H,38,43)(H,39,44)(H4,34,35,37)/t26-,27-,28+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.54E+4n/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin (IIa).


J Med Chem 46: 4043-9 (2003)


Article DOI: 10.1021/jm030130t
BindingDB Entry DOI: 10.7270/Q2BC4092
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50133074
PNG
((S)-6-Dimethylamino-2-((R)-3-phenyl-2-phenylmethan...)
Show SMILES CN(C)CCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1
Show InChI InChI=1S/C33H46N8O5S2/c1-41(2)20-10-9-16-27(30(43)38-26(17-11-18-37-33(34)35)29(42)32-36-19-21-47-32)39-31(44)28(22-24-12-5-3-6-13-24)40-48(45,46)23-25-14-7-4-8-15-25/h3-8,12-15,19,21,26-28,40H,9-11,16-18,20,22-23H2,1-2H3,(H,38,43)(H,39,44)(H4,34,35,37)/t26-,27-,28+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against coagulation factor X.


J Med Chem 46: 4043-9 (2003)


Article DOI: 10.1021/jm030130t
BindingDB Entry DOI: 10.7270/Q2BC4092
More data for this
Ligand-Target Pair