new BindingDB logo
myBDB logout

BDBM50153002 CHEMBL3781363

SMILES: COC(=O)Nc1ccc(cc1)-c1cc(ncn1)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1

InChI Key: InChIKey=UPCWTHVOGWKAST-DHBKDLHSNA-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 = 50153002   
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 XI


(Homo sapiens (Human))
BDBM50153002
PNG
(CHEMBL3781363)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cc(ncn1)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
Show InChI InChI=1/C30H25ClN8O3/c1-42-30(41)35-24-11-7-21(8-12-24)25-17-26(33-18-32-25)27(15-20-5-3-2-4-6-20)36-29(40)14-9-22-16-23(31)10-13-28(22)39-19-34-37-38-39/h2-14,16-19,27H,15H2,1H3,(H,35,41)(H,36,40)/b14-9+/t27-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
6.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Competitive inhibition of human coagulation factor 11a assessed as reduction in release of p-nitroaniline after 10 to 120 mins by Michaelis-Menten eq...


Bioorg Med Chem 24: 2257-72 (2016)


BindingDB Entry DOI: 10.7270/Q2DN46X0
More data for this
Ligand-Target Pair