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BDBM50103201 CHEMBL3393388

SMILES: NC[C@H]1CC[C@@H](CC1)C(=O)NC(Cc1ccccc1)c1cc(cc(=O)[nH]1)-c1ccc2c(N)n[nH]c2c1

InChI Key: InChIKey=ZJHQLCFLDXDEGP-MEQCVUQCNA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50103201   
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))
BDBM50103201
PNG
(CHEMBL3393388)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)NC(Cc1ccccc1)c1cc(cc(=O)[nH]1)-c1ccc2c(N)n[nH]c2c1
Show InChI InChI=1/C28H32N6O2/c29-16-18-6-8-19(9-7-18)28(36)32-24(12-17-4-2-1-3-5-17)25-14-21(15-26(35)31-25)20-10-11-22-23(13-20)33-34-27(22)30/h1-5,10-11,13-15,18-19,24H,6-9,12,16,29H2,(H,31,35)(H,32,36)(H3,30,33,34)/t18-,19-,24?
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Similars

Article
PubMed
3.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a after 10 to 120 mins


Bioorg Med Chem Lett 25: 925-30 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.050
BindingDB Entry DOI: 10.7270/Q2CF9RWP
More data for this
Ligand-Target Pair