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BDBM339924 3-(Morpholin-4-yl)propyl 5-{[(3S)-1-[(trans-4-{(1S)-1-[(tert-butoxycarbonyl)amino]-2-fluoroethyl}cyclohexyl)carbonyl]-3-(trans-4-methoxycyclohexyl)-L-prolyl]amino}-1-benzofuran-2-carboxylate::US9758480, 201

SMILES: CO[C@H]1CCC(CC1)[C@@H]1CCN([C@@H]1C(=O)Nc1ccc2oc(cc2c1)C(=O)OCC(C)C)C(=O)[C@H]1CC[C@@H](CC1)[C@H](N)CF

InChI Key: InChIKey=VRSZNBPXJIQYDM-JJCARRQMSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 339924   
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))
BDBM339924
PNG
(3-(Morpholin-4-yl)propyl 5-{[(3S)-1-[(trans-4-{(1S...)
Show SMILES CO[C@H]1CCC(CC1)[C@@H]1CCN([C@@H]1C(=O)Nc1ccc2oc(cc2c1)C(=O)OCC(C)C)C(=O)[C@H]1CC[C@@H](CC1)[C@H](N)CF
Show InChI InChI=1S/C34H48FN3O6/c1-20(2)19-43-34(41)30-17-24-16-25(10-13-29(24)44-30)37-32(39)31-27(21-8-11-26(42-3)12-9-21)14-15-38(31)33(40)23-6-4-22(5-7-23)28(36)18-35/h10,13,16-17,20-23,26-28,31H,4-9,11-12,14-15,18-19,36H2,1-3H3,(H,37,39)/t21?,22-,23-,26-,27-,28+,31-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 4.10E+3n/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