new BindingDB logo
myBDB logout

BDBM50260521 CHEMBL507697::ethyl (1R,3aR,4aR,6R,8aR,9S,9aS)-9-((E)-2-(5-(2-fluoro-3-methylphenyl)pyridin-2-yl)vinyl)-1-methyl-3-oxo-dodecahydronaphtho[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)-c2cccc(C)c2F)C1

InChI Key: InChIKey=YGKYFVOUPXDQQA-ZVSUMJKVSA-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 = 50260521   
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 (PAR1)


(Homo sapiens (Human))
BDBM50260521
PNG
(CHEMBL507697 | 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)-c2cccc(C)c2F)C1
Show InChI InChI=1S/C30H35FN2O4/c1-4-36-30(35)33-22-11-12-23-20(14-22)15-26-27(18(3)37-29(26)34)25(23)13-10-21-9-8-19(16-32-21)24-7-5-6-17(2)28(24)31/h5-10,13,16,18,20,22-23,25-27H,4,11-12,14-15H2,1-3H3,(H,33,35)/t18-,20+,22-,23-,25+,26-,27+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
11n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets


J Med Chem 51: 3061-4 (2008)

More data for this
Ligand-Target Pair