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BDBM50446340 CHEMBL3109582

SMILES: CCOC(=O)NC[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cccc(F)c2)C1

InChI Key: InChIKey=GPRVNYYQJSSVSN-DECGTIOJSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50446340   
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))		BDBM50446340
PNG
(CHEMBL3109582)
Show SMILES CCOC(=O)NC[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cccc(F)c2)C1 |r,w:22.24|
Show InChI InChI=1S/C30H35FN2O4/c1-3-36-30(35)33-16-19-7-11-25-22(13-19)15-27-28(18(2)37-29(27)34)26(25)12-10-24-9-8-21(17-32-24)20-5-4-6-23(31)14-20/h4-6,8-10,12,14,17-19,22,25-28H,3,7,11,13,15-16H2,1-2H3,(H,33,35)/t18-,19-,22+,25-,26+,27-,28+/m1/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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Similars
Article
PubMed
 14n/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