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BDBM50446325 CHEMBL3109576

SMILES: C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@@H](CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@H]12)C(=O)N1CC[C@@H](O)C1

InChI Key: InChIKey=UDDPGVXMJWBTOZ-XZSIVTGLSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50446325   
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))		BDBM50446325
PNG
(CHEMBL3109576)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@@H](CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@H]12)C(=O)N1CC[C@@H](O)C1 |r|
Show InChI InChI=1S/C32H35F3N2O4/c1-18-29-27(10-8-24-7-5-21(16-36-24)19-3-2-4-23(14-19)32(33,34)35)26-9-6-20(30(39)37-12-11-25(38)17-37)13-22(26)15-28(29)31(40)41-18/h2-5,7-8,10,14,16,18,20,22,25-29,38H,6,9,11-13,15,17H2,1H3/b10-8+/t18-,20-,22+,25-,26-,27+,28-,29+/m1/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
PC sid
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Similars
Article
PubMed
 180n/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