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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 565.0
BDBM183051

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 X


(Homo sapiens (Human))
BDBM183051
PNG
(US9150544, 85)
Show SMILES COC(=O)[C@@H](Cc1cc2ccnc(N)c2cc1Cl)N1CC[C@H](NS(=O)(=O)c2cnc(s2)N2CCC2)C1=O |r|
Show InChI InChI=1S/C23H25ClN6O5S2/c1-35-22(32)18(10-14-9-13-3-5-26-20(25)15(13)11-16(14)24)30-8-4-17(21(30)31)28-37(33,34)19-12-27-23(36-19)29-6-2-7-29/h3,5,9,11-12,17-18,28H,2,4,6-8,10H2,1H3,(H2,25,26)/t17-,18+/m0/s1
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PC cid
PC sid
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Similars

US Patent
n/an/a 780n/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
Coagulation factor IX


(Homo sapiens (Human))
BDBM183051
PNG
(US9150544, 85)
Show SMILES COC(=O)[C@@H](Cc1cc2ccnc(N)c2cc1Cl)N1CC[C@H](NS(=O)(=O)c2cnc(s2)N2CCC2)C1=O |r|
Show InChI InChI=1S/C23H25ClN6O5S2/c1-35-22(32)18(10-14-9-13-3-5-26-20(25)15(13)11-16(14)24)30-8-4-17(21(30)31)28-37(33,34)19-12-27-23(36-19)29-6-2-7-29/h3,5,9,11-12,17-18,28H,2,4,6-8,10H2,1H3,(H2,25,26)/t17-,18+/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 3.32E+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