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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 = 'BDBM50197581'   
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))		BDBM50197581
PNG
(CHEMBL3929336 | US10322140, Example 4)
Show SMILES [H][C@@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@@H](C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)c1nnc(N)o1 |r|
Show InChI InChI=1S/C26H23F2N5O3/c1-14-19(10-9-18-8-7-17(12-31-18)20-6-4-3-5-16(20)11-29)21-15(2)35-23(34)25(21,13-26(14,27)28)22-32-33-24(30)36-22/h3-10,12,14-15,19,21H,13H2,1-2H3,(H2,30,33)/b10-9+/t14-,15+,19-,21-,25+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
US Patent
n/an/a 3.08n/an/an/an/an/an/a



AstraZeneca



Assay Description
Frozen HEK 293 Cells were plated in 384-well PDL coated plates at 12000 cells/well in 50 uL of DMEM media containing 10% FBS, pen/strep/L-Glutamine a...

Bioorg Med Chem Lett 19: 4280-3 (2009)


BindingDB Entry DOI: 10.7270/Q2G44SMF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))		BDBM50197581
PNG
(CHEMBL3929336 | US10322140, Example 4)
Show SMILES [H][C@@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@@H](C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)c1nnc(N)o1 |r|
Show InChI InChI=1S/C26H23F2N5O3/c1-14-19(10-9-18-8-7-17(12-31-18)20-6-4-3-5-16(20)11-29)21-15(2)35-23(34)25(21,13-26(14,27)28)22-32-33-24(30)36-22/h3-10,12,14-15,19,21H,13H2,1-2H3,(H2,30,33)/b10-9+/t14-,15+,19-,21-,25+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 3.10n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at PAR-1 in HEK293 cells incubated for 30 mins followed by Ala-parafluoroPhe-Arg-Cha-Cit-Try-NH2 substrate addition by calcium-5 ...

ACS Med Chem Lett 7: 881-883 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00327
BindingDB Entry DOI: 10.7270/Q2GQ70RQ
More data for this
Ligand-Target Pair