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BDBM50446344 CHEMBL3109578

SMILES: CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@]1(O)[C@@H]([C@@H](C)OC1=O)[C@H]2C=Cc1ccc(cn1)-c1cccc(F)c1

InChI Key: InChIKey=ZFTFABCAKGZZEZ-JFMYFEEXSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50446344   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Proteinase-activated receptor 1


(Homo sapiens (Human))		BDBM50446344
PNG
(CHEMBL3109578)
Show SMILES CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@]1(O)[C@@H]([C@@H](C)OC1=O)[C@H]2C=Cc1ccc(cn1)-c1cccc(F)c1 |r,w:23.26|
Show InChI InChI=1S/C29H33FN2O5/c1-3-36-28(34)32-23-10-11-24-20(14-23)15-29(35)26(17(2)37-27(29)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-26,35H,3,10-11,14-15H2,1-2H3,(H,32,34)/t17-,20+,23-,24-,25+,26+,29+/m1/s1
PDB

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Similars
Article
PubMed
 20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR-1 isolated from human platelets by liquid scintillation counting analysis

ACS Med Chem Lett 5: 183-7 (2014)


Article DOI: 10.1021/ml400452v
BindingDB Entry DOI: 10.7270/Q2V40WPG
More data for this
Ligand-Target Pair