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BDBM50446329 CHEMBL3109572

SMILES: CC(C)NC(=O)[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2cccc(c2)C(F)(F)F)C1

InChI Key: InChIKey=ZNYYEJUMXRJTIT-XUGWCFEASA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50446329   
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))		BDBM50446329
PNG
(CHEMBL3109572)
Show SMILES CC(C)NC(=O)[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2cccc(c2)C(F)(F)F)C1 |r|
Show InChI InChI=1S/C31H35F3N2O3/c1-17(2)36-29(37)20-8-11-25-22(13-20)15-27-28(18(3)39-30(27)38)26(25)12-10-24-9-7-21(16-35-24)19-5-4-6-23(14-19)31(32,33)34/h4-7,9-10,12,14,16-18,20,22,25-28H,8,11,13,15H2,1-3H3,(H,36,37)/b12-10+/t18-,20-,22+,25-,26+,27-,28+/m1/s1
PDB

KEGG

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Similars
Article
PubMed
 31n/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