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BDBM50020140 CHEMBL3288442

SMILES: [H][C@@]12C[C@]3([H])C[C@]4(COC(=O)N4)CC[C@@]3([H])[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C#N)[C@]1([H])[C@@H](C)OC2=O

InChI Key: InChIKey=NYABWWWXVURXHW-QGKHSLOOSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50020140   
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))		BDBM50020140
PNG
(CHEMBL3288442)
Show SMILES [H][C@@]12C[C@]3([H])C[C@]4(COC(=O)N4)CC[C@@]3([H])[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C#N)[C@]1([H])[C@@H](C)OC2=O |r|
Show InChI InChI=1S/C29H29N3O4/c1-17-26-24(8-7-22-6-5-20(15-31-22)19-4-2-3-18(11-19)14-30)23-9-10-29(16-35-28(34)32-29)13-21(23)12-25(26)27(33)36-17/h2-8,11,15,17,21,23-26H,9-10,12-13,16H2,1H3,(H,32,34)/b8-7+/t17-,21-,23-,24+,25-,26+,29+/m1/s1
PDB

KEGG

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UniProtKB/TrEMBL

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Similars
Article
PubMed
 43n/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