BindingDB logo
myBDB logout

BDBM339903 US9758480, 114

SMILES: CS(=O)(=O)NC(=O)c1cc2cc(NC(=O)[C@@H]3[C@@H](CCN3C(=O)[C@H]3CC[C@@H](CC3)[C@H](N)CF)C3CCCCC3)ccc2[nH]1

InChI Key: InChIKey=NGRGBEKKOHWGNC-DXCFEAHXSA-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 = 339903   
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))
BDBM339903
PNG
(US9758480, 114)
Show SMILES CS(=O)(=O)NC(=O)c1cc2cc(NC(=O)[C@@H]3[C@@H](CCN3C(=O)[C@H]3CC[C@@H](CC3)[C@H](N)CF)C3CCCCC3)ccc2[nH]1
Show InChI InChI=1S/C30H42FN5O5S/c1-42(40,41)35-28(37)26-16-21-15-22(11-12-25(21)34-26)33-29(38)27-23(18-5-3-2-4-6-18)13-14-36(27)30(39)20-9-7-19(8-10-20)24(32)17-31/h11-12,15-16,18-20,23-24,27,34H,2-10,13-14,17,32H2,1H3,(H,33,38)(H,35,37)/t19-,20-,23-,24+,27-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)

More data for this
Ligand-Target Pair