BindingDB logo
myBDB logout

BDBM50526356 CHEMBL4577469

SMILES: [H][C@]1(COC(C)(C)O1)[C@@]1(C)CC[C@]2([H])C(CC[C@]3([H])[C@](C)(CO)C[C@@H](O)C[C@@]23C)=C1

InChI Key: InChIKey=RFVIIASIYASSNN-VTUWCDCKSA-N

Data: 1 IC50

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 = 50526356   
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
Coagulation factor X


(Homo sapiens (Human))
BDBM50526356
PNG
(CHEMBL4577469)
Show SMILES [H][C@]1(COC(C)(C)O1)[C@@]1(C)CC[C@]2([H])C(CC[C@]3([H])[C@](C)(CO)C[C@@H](O)C[C@@]23C)=C1 |r,c:31|
Show InChI InChI=1S/C23H38O4/c1-20(2)26-13-19(27-20)21(3)9-8-17-15(10-21)6-7-18-22(4,14-24)11-16(25)12-23(17,18)5/h10,16-19,24-25H,6-9,11-14H2,1-5H3/t16-,17-,18-,19+,21+,22+,23+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.20E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of human factor Xa using Z-D-Arg-Gly-Arg-pNA.2HCl as substrate preincubated for 15 mins followed by substrate addition by UV absorption an...


Bioorg Med Chem 27: 1320-1326 (2019)


Article DOI: 10.1016/j.bmc.2019.02.032
More data for this
Ligand-Target Pair