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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proteinase-activated receptor 1' and Ligand = 'BDBM50380018'   
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))		BDBM50380018
PNG
(CHEMBL2012505)
Show SMILES CC[C@@H]1[C@@H](C)C[C@]2(O)[C@@H]([C@@H](C)OC2=O)[C@H]1\C=C\c1ccc(cn1)-c1ccccc1OC |r|
Show InChI InChI=1S/C26H31NO4/c1-5-20-16(2)14-26(29)24(17(3)31-25(26)28)22(20)13-12-19-11-10-18(15-27-19)21-8-6-7-9-23(21)30-4/h6-13,15-17,20,22,24,29H,5,14H2,1-4H3/b13-12+/t16-,17+,20+,22-,24-,26-/m0/s1
PDB

KEGG

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PC cid
PC sid
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Similars
Article
PubMed
n/an/a 8.10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from human PAR1 after 1 hr by TopCount scintillation counting

Bioorg Med Chem Lett 22: 2544-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.138
BindingDB Entry DOI: 10.7270/Q20G3M58
More data for this
Ligand-Target Pair