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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 612.6
BDBM183046

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor IX


(Homo sapiens (Human))
BDBM183046
PNG
(US9150544, 80)
Show SMILES COC(=O)[C@@H](Cc1cc2ccnc(N)c2cc1C(F)(F)F)N1CC[C@H](NS(=O)(=O)c2cnc(s2)N2CCCC2)C1=O |r|
Show InChI InChI=1S/C25H27F3N6O5S2/c1-39-23(36)19(11-15-10-14-4-6-30-21(29)16(14)12-17(15)25(26,27)28)34-9-5-18(22(34)35)32-41(37,38)20-13-31-24(40-20)33-7-2-3-8-33/h4,6,10,12-13,18-19,32H,2-3,5,7-9,11H2,1H3,(H2,29,30)/t18-,19+/m0/s1
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PC cid
PC sid
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Similars

US Patent
n/an/a 2.32E+3n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
The compounds according to the invention are tested in a range of concentrations (4.9 nM to 5 µM final) and deposited in a proportion of 25 µl per we...


US Patent US9150544 (2015)


BindingDB Entry DOI: 10.7270/Q27S7MKF
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM183046
PNG
(US9150544, 80)
Show SMILES COC(=O)[C@@H](Cc1cc2ccnc(N)c2cc1C(F)(F)F)N1CC[C@H](NS(=O)(=O)c2cnc(s2)N2CCCC2)C1=O |r|
Show InChI InChI=1S/C25H27F3N6O5S2/c1-39-23(36)19(11-15-10-14-4-6-30-21(29)16(14)12-17(15)25(26,27)28)34-9-5-18(22(34)35)32-41(37,38)20-13-31-24(40-20)33-7-2-3-8-33/h4,6,10,12-13,18-19,32H,2-3,5,7-9,11H2,1H3,(H2,29,30)/t18-,19+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.23E+3n/an/an/an/a7.0n/a



Sanofi

US Patent


Assay Description
The compounds according to the invention are tested in a range of concentrations (10pM to 10 µM final) in assay buffer (50 mM TRIS, 100 mM NaCl, 0.1 ...


US Patent US9150544 (2015)


BindingDB Entry DOI: 10.7270/Q27S7MKF
More data for this
Ligand-Target Pair