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SMILES: COCc1cc(ccc1-n1cccc(CCO)c1=O)N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O

InChI Key: InChIKey=VKYVGNOZMWMZDF-SFHVURJKSA-N

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 = 98168   
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
Prothrombin


(Homo sapiens (Human))
BDBM98168
PNG
(US8487111, 8)
Show SMILES COCc1cc(ccc1-n1cccc(CCO)c1=O)N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O |r|
Show InChI InChI=1S/C24H24ClN3O6S/c1-33-14-16-11-17(4-5-19(16)27-9-2-3-15(8-10-29)23(27)31)28-13-18(34-24(28)32)12-26-22(30)20-6-7-21(25)35-20/h2-7,9,11,18,29H,8,10,12-14H2,1H3,(H,26,30)/t18-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 16n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Thrombin inhibitory activity.


US Patent US8487111 (2013)


BindingDB Entry DOI: 10.7270/Q29K48V9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM98168
PNG
(US8487111, 8)
Show SMILES COCc1cc(ccc1-n1cccc(CCO)c1=O)N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O |r|
Show InChI InChI=1S/C24H24ClN3O6S/c1-33-14-16-11-17(4-5-19(16)27-9-2-3-15(8-10-29)23(27)31)28-13-18(34-24(28)32)12-26-22(30)20-6-7-21(25)35-20/h2-7,9,11,18,29H,8,10,12-14H2,1H3,(H,26,30)/t18-/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 167n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Factor Xa inhibitory activity.


US Patent US8487111 (2013)


BindingDB Entry DOI: 10.7270/Q29K48V9
More data for this
Ligand-Target Pair