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BDBM50077734 5-Amino-1H-[1,2,4]triazole-3-carboxylic acid {(S)-1-[(S)-1-((S)-1-carbamoyl-2-thiophen-2-yl-ethylcarbamoyl)-4-guanidino-butylcarbamoyl]-2-cyclohexyl-ethyl}-amide::CHEMBL284474

SMILES: NC(=N)NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1nnc(N)[nH]1)C(=O)N[C@@H](Cc1cccs1)C(N)=O

InChI Key: InChIKey=XFJZFBHOWPXHGA-BZSNNMDCSA-N

Data: 1 IC50  1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50077734   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50077734
PNG
(5-Amino-1H-[1,2,4]triazole-3-carboxylic acid {(S)-...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1nnc(N)[nH]1)C(=O)N[C@@H](Cc1cccs1)C(N)=O
Show InChI InChI=1S/C25H39N11O4S/c26-19(37)17(13-15-8-5-11-41-15)32-21(38)16(9-4-10-30-24(27)28)31-22(39)18(12-14-6-2-1-3-7-14)33-23(40)20-34-25(29)36-35-20/h5,8,11,14,16-18H,1-4,6-7,9-10,12-13H2,(H2,26,37)(H,31,39)(H,32,38)(H,33,40)(H4,27,28,30)(H3,29,34,35,36)/t16-,17-,18-/m0/s1
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Activation of human platelet aggregation (gel-filtered platelets) induced by alpha thrombin


Bioorg Med Chem Lett 9: 1423-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00197-3
BindingDB Entry DOI: 10.7270/Q2R78DFP
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50077734
PNG
(5-Amino-1H-[1,2,4]triazole-3-carboxylic acid {(S)-...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1nnc(N)[nH]1)C(=O)N[C@@H](Cc1cccs1)C(N)=O
Show InChI InChI=1S/C25H39N11O4S/c26-19(37)17(13-15-8-5-11-41-15)32-21(38)16(9-4-10-30-24(27)28)31-22(39)18(12-14-6-2-1-3-7-14)33-23(40)20-34-25(29)36-35-20/h5,8,11,14,16-18H,1-4,6-7,9-10,12-13H2,(H2,26,37)(H,31,39)(H,32,38)(H,33,40)(H4,27,28,30)(H3,29,34,35,36)/t16-,17-,18-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/an/an/a 1.05E+4n/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Activation of human platelet aggregation (gel-filtered platelets) induced by alpha thrombin


Bioorg Med Chem Lett 9: 1423-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00197-3
BindingDB Entry DOI: 10.7270/Q2R78DFP
More data for this
Ligand-Target Pair