BindingDB logo
myBDB logout

null

SMILES: COC(=O)Nc1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@]2(C1)NC(=O)Nc1ccc(Cl)cc21

InChI Key: InChIKey=FGFKTUDUBYMGKZ-PWUYWRBVSA-N

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 = 289790   
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))		BDBM289790
PNG
(US10093683, Example 19b)
Show SMILES COC(=O)Nc1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@]2(C1)NC(=O)Nc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C29H28ClN5O5/c1-40-28(39)31-21-10-7-19(8-11-21)25(36)32-24(15-18-5-3-2-4-6-18)26(37)35-14-13-29(17-35)22-16-20(30)9-12-23(22)33-27(38)34-29/h2-12,16,24H,13-15,17H2,1H3,(H,31,39)(H,32,36)(H2,33,34,38)/t24-,29+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 708 -8.38n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...

US Patent US10093683 (2018)


BindingDB Entry DOI: 10.7270/Q2RR2197
More data for this
Ligand-Target Pair