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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 = 'BDBM50079751'   
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))
BDBM50079751
PNG
(CHEMBL63426 | N*3*-Cyclopropyl-7-(4-isopropyl-benz...)
Show SMILES CC(C)c1ccc(Cn2ccc3c2ccc2nc(NC4CC4)nc(N)c32)cc1
Show InChI InChI=1S/C23H25N5/c1-14(2)16-5-3-15(4-6-16)13-28-12-11-18-20(28)10-9-19-21(18)22(24)27-23(26-19)25-17-7-8-17/h3-6,9-12,14,17H,7-8,13H2,1-2H3,(H3,24,25,26,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 56n/an/an/an/an/an/a



Oregon Health& Science University

Curated by ChEMBL


Assay Description
Antagonist activity at PAR1 in human platelet membranes assessed as inhibition of interaction of PAR1 with [Ala-Phe(p-F)-Arg-Cha-HArg-Tyr-NH2] by Chr...


Medchemcomm 6: 510-520 (2015)


BindingDB Entry DOI: 10.7270/Q2QN68NS
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50079751
PNG
(CHEMBL63426 | N*3*-Cyclopropyl-7-(4-isopropyl-benz...)
Show SMILES CC(C)c1ccc(Cn2ccc3c2ccc2nc(NC4CC4)nc(N)c32)cc1
Show InChI InChI=1S/C23H25N5/c1-14(2)16-5-3-15(4-6-16)13-28-12-11-18-20(28)10-9-19-21(18)22(24)27-23(26-19)25-17-7-8-17/h3-6,9-12,14,17H,7-8,13H2,1-2H3,(H3,24,25,26,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 56n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against binding to Thrombin receptor 1 (PAR-1)


Bioorg Med Chem Lett 9: 2073-8 (1999)


BindingDB Entry DOI: 10.7270/Q25X284B
More data for this
Ligand-Target Pair