BindingDB logo
myBDB logout

BDBM50386257 CHEMBL2040968

SMILES: COc1ccc(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)N(C)c2ccc(cc2)N2CCCCC2=O)cc1OC

InChI Key: InChIKey=ASOHBZSYKIRQGZ-XUESUEPENA-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 = 50386257   
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))
BDBM50386257
PNG
(CHEMBL2040968)
Show SMILES COc1ccc(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)N(C)c2ccc(cc2)N2CCCCC2=O)cc1OC
Show InChI InChI=1/C32H35N3O5/c1-33(25-12-14-26(15-13-25)34-17-7-6-10-30(34)36)32(38)27-20-23-8-4-5-9-24(23)21-35(27)31(37)19-22-11-16-28(39-2)29(18-22)40-3/h4-5,8-9,11-16,18,27H,6-7,10,17,19-21H2,1-3H3/t27-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.46E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair