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BDBM50077742 2-Amino-N-{(S)-1-[(S)-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-4-guanidino-butylcarbamoyl]-2-cyclohexyl-ethyl}-nicotinamide::CHEMBL282733

SMILES: NC(=N)NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cccnc1N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=KDCHTINFDXNROA-HJOGWXRNSA-N

Data: 1 IC50  1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50077742   
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
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50077742
PNG
(2-Amino-N-{(S)-1-[(S)-1-((S)-1-carbamoyl-2-phenyl-...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cccnc1N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C30H43N9O4/c31-25-21(13-7-15-35-25)27(41)39-24(18-20-11-5-2-6-12-20)29(43)37-22(14-8-16-36-30(33)34)28(42)38-23(26(32)40)17-19-9-3-1-4-10-19/h1,3-4,7,9-10,13,15,20,22-24H,2,5-6,8,11-12,14,16-18H2,(H2,31,35)(H2,32,40)(H,37,43)(H,38,42)(H,39,41)(H4,33,34,36)/t22-,23-,24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-S-(p-F-Phe)-Har-L-Har-KY-NH2 binding to thrombin receptor (PAR-1) on membranes from CHRF cells


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


BindingDB Entry DOI: 10.7270/Q2R78DFP
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50077742
PNG
(2-Amino-N-{(S)-1-[(S)-1-((S)-1-carbamoyl-2-phenyl-...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cccnc1N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C30H43N9O4/c31-25-21(13-7-15-35-25)27(41)39-24(18-20-11-5-2-6-12-20)29(43)37-22(14-8-16-36-30(33)34)28(42)38-23(26(32)40)17-19-9-3-1-4-10-19/h1,3-4,7,9-10,13,15,20,22-24H,2,5-6,8,11-12,14,16-18H2,(H2,31,35)(H2,32,40)(H,37,43)(H,38,42)(H,39,41)(H4,33,34,36)/t22-,23-,24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

PubMed
n/an/an/an/a 8.00E+3n/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)


BindingDB Entry DOI: 10.7270/Q2R78DFP
More data for this
Ligand-Target Pair