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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 = 'BDBM50079756'   
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))
BDBM50079756
PNG
(7-(4-Isopropyl-benzyl)-7H-pyrrolo[3,2-f]quinazolin...)
Show SMILES CC(C)c1ccc(Cn2ccc3c2ccc2nc(N)nc(N)c32)cc1
Show InChI InChI=1S/C20H21N5/c1-12(2)14-5-3-13(4-6-14)11-25-10-9-15-17(25)8-7-16-18(15)19(21)24-20(22)23-16/h3-10,12H,11H2,1-2H3,(H4,21,22,23,24)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 300n/an/an/an/an/an/a



Oregon Health& Science University

Curated by ChEMBL


Assay Description
Antagonist activity at PAR1 (unknown origin) assessed as inhibition of thrombin-induced platelet aggregation


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))
BDBM50079756
PNG
(7-(4-Isopropyl-benzyl)-7H-pyrrolo[3,2-f]quinazolin...)
Show SMILES CC(C)c1ccc(Cn2ccc3c2ccc2nc(N)nc(N)c32)cc1
Show InChI InChI=1S/C20H21N5/c1-12(2)14-5-3-13(4-6-14)11-25-10-9-15-17(25)8-7-16-18(15)19(21)24-20(22)23-16/h3-10,12H,11H2,1-2H3,(H4,21,22,23,24)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 300n/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