BDBM50329616 CHEMBL1270537::ethyl(1R,3aR,4aR,6R,8aR,9S,9aS)-9-((E)-2-(5-(2-cyanophenyl)pyridin-2-yl)vinyl)-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-ylcarbamate

SMILES: CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2ccccc2C#N)C1

InChI Key: InChIKey=SQBWTVZMLIARDH-CTCJLQPTSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50329616   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50329616 (CHEMBL1270537 | ethyl(1R,3aR,4aR,6R,8aR,9S,9aS)-9-...) Show SMILES CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2ccccc2C#N)C1 |r,w:21.23| Show InChI InChI=1S/C30H33N3O4/c1-3-36-30(35)33-23-11-12-25-21(14-23)15-27-28(18(2)37-29(27)34)26(25)13-10-22-9-8-20(17-32-22)24-7-5-4-6-19(24)16-31/h4-10,13,17-18,21,23,25-28H,3,11-12,14-15H2,1-2H3,(H,33,35)/t18-,21+,23-,25-,26+,27-,28+/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of high affinity TRAP form human platelet PAR1				Bioorg Med Chem Lett 20: 6676-9 (2010) Article DOI: 10.1016/j.bmcl.2010.09.009 BindingDB Entry DOI: 10.7270/Q2KS6RSH
					More data for this Ligand-Target Pair