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BDBM339918 (2S)-2-Methoxypropyl 5-{[(3R)-1-[(trans-4-{(1S)-1-[(tert-butoxycarbonyl)amino]-2-fluoroethyl}cyclohexyl)carbonyl]-3-(trans-methoxycyclohexyl)-D-prolyl]amino}-1-benzofuran-2-carboxylate::US9758480, 171

SMILES: Cc1oc(=O)oc1COC(=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=BSUUMWFWZSRDEQ-PWIOSHKISA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 339918   
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))
BDBM339918
PNG
((2S)-2-Methoxypropyl 5-{[(3R)-1-[(trans-4-{(1S)-1-...)
Show SMILES Cc1oc(=O)oc1COC(=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/C34H37FN4O7/c1-19-29(46-34(43)45-19)18-44-33(42)28-16-23-15-24(11-12-27(23)38-28)37-31(40)30-25(20-5-3-2-4-6-20)13-14-39(30)32(41)22-9-7-21(8-10-22)26(36)17-35/h2-6,11-12,15-16,21-22,25-26,30,38H,7-10,13-14,17-18,36H2,1H3,(H,37,40)/t21-,22-,25-,26-,30+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem
Article
US Patent
n/an/a 300n/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)


Article DOI: 10.1021/jm0303857
More data for this
Ligand-Target Pair