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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Proteinase-activated receptor 1' and Ligand = 'BDBM50077736'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50077736
PNG
(CHEMBL33945 | N-{(S)-1-[(S)-1-((S)-1-Carbamoyl-2-p...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(Cl)nc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C30H41ClN8O4/c31-25-14-13-21(18-36-25)27(41)39-24(17-20-10-5-2-6-11-20)29(43)37-22(12-7-15-35-30(33)34)28(42)38-23(26(32)40)16-19-8-3-1-4-9-19/h1,3-4,8-9,13-14,18,20,22-24H,2,5-7,10-12,15-17H2,(H2,32,40)(H,37,43)(H,38,42)(H,39,41)(H4,33,34,35)/t22-,23-,24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 2.40E+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 1 (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))
BDBM50077736
PNG
(CHEMBL33945 | N-{(S)-1-[(S)-1-((S)-1-Carbamoyl-2-p...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(Cl)nc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C30H41ClN8O4/c31-25-14-13-21(18-36-25)27(41)39-24(17-20-10-5-2-6-11-20)29(43)37-22(12-7-15-35-30(33)34)28(42)38-23(26(32)40)16-19-8-3-1-4-9-19/h1,3-4,8-9,13-14,18,20,22-24H,2,5-7,10-12,15-17H2,(H2,32,40)(H,37,43)(H,38,42)(H,39,41)(H4,33,34,35)/t22-,23-,24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/an/an/a 4.60E+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