BindingDB logo
myBDB logout

BDBM183016 US9150544, 50

SMILES: CN(C)c1ncc(s1)S(=O)(=O)N[C@H]1CCN([C@H](Cc2cc3ccnc(N)c3cc2Cl)C(O)=O)C1=O

InChI Key: InChIKey=DYRGULRRGUHACC-JKSUJKDBSA-N

Data: 2 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 2 hits for monomerid = 183016   
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 X


(Homo sapiens (Human))
BDBM183016
PNG
(US9150544, 50)
Show SMILES CN(C)c1ncc(s1)S(=O)(=O)N[C@H]1CCN([C@H](Cc2cc3ccnc(N)c3cc2Cl)C(O)=O)C1=O |r|
Show InChI InChI=1S/C21H23ClN6O5S2/c1-27(2)21-25-10-17(34-21)35(32,33)26-15-4-6-28(19(15)29)16(20(30)31)8-12-7-11-3-5-24-18(23)13(11)9-14(12)22/h3,5,7,9-10,15-16,26H,4,6,8H2,1-2H3,(H2,23,24)(H,30,31)/t15-,16+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

US Patent
n/an/a 5n/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))
BDBM183016
PNG
(US9150544, 50)
Show SMILES CN(C)c1ncc(s1)S(=O)(=O)N[C@H]1CCN([C@H](Cc2cc3ccnc(N)c3cc2Cl)C(O)=O)C1=O |r|
Show InChI InChI=1S/C21H23ClN6O5S2/c1-27(2)21-25-10-17(34-21)35(32,33)26-15-4-6-28(19(15)29)16(20(30)31)8-12-7-11-3-5-24-18(23)13(11)9-14(12)22/h3,5,7,9-10,15-16,26H,4,6,8H2,1-2H3,(H2,23,24)(H,30,31)/t15-,16+/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 160n/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