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BDBM50020148 CHEMBL3288446

SMILES: [H][C@@]12C[C@]3([H])C[C@@]4(CNC(=O)O4)CC[C@@]3([H])[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@]1([H])[C@@H](C)OC2=O

InChI Key: InChIKey=PGSCOCNPCZRTMR-DAMDKYIISA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50020148   
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))		BDBM50020148
PNG
(CHEMBL3288446)
Show SMILES [H][C@@]12C[C@]3([H])C[C@@]4(CNC(=O)O4)CC[C@@]3([H])[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@]1([H])[C@@H](C)OC2=O |r|
Show InChI InChI=1S/C29H29F3N2O4/c1-16-25-23(8-7-21-6-5-18(14-33-21)17-3-2-4-20(11-17)29(30,31)32)22-9-10-28(15-34-27(36)38-28)13-19(22)12-24(25)26(35)37-16/h2-8,11,14,16,19,22-25H,9-10,12-13,15H2,1H3,(H,34,36)/b8-7+/t16-,19-,22-,23+,24-,25+,28-/m1/s1
PDB

KEGG

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UniProtKB/TrEMBL

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PC cid
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Similars
Article
PubMed
 392n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR-1 receptor in human platelet membranes after 1 hr by scintillation counting analysis

ACS Med Chem Lett 5: 561-5 (2014)


Article DOI: 10.1021/ml500008w
BindingDB Entry DOI: 10.7270/Q2B859NM
More data for this
Ligand-Target Pair