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SMILES: Cc1cc(ccc1-n1cccc(CCO)c1=O)N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O

InChI Key: InChIKey=WUCJQADZOHCKCX-KRWDZBQOSA-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 = 98167   
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))
BDBM98167
PNG
(US8487111, 6)
Show SMILES Cc1cc(ccc1-n1cccc(CCO)c1=O)N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O |r|
Show InChI InChI=1S/C23H22ClN3O5S/c1-14-11-16(4-5-18(14)26-9-2-3-15(8-10-28)22(26)30)27-13-17(32-23(27)31)12-25-21(29)19-6-7-20(24)33-19/h2-7,9,11,17,28H,8,10,12-13H2,1H3,(H,25,29)/t17-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 186n/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))
BDBM98167
PNG
(US8487111, 6)
Show SMILES Cc1cc(ccc1-n1cccc(CCO)c1=O)N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O |r|
Show InChI InChI=1S/C23H22ClN3O5S/c1-14-11-16(4-5-18(14)26-9-2-3-15(8-10-28)22(26)30)27-13-17(32-23(27)31)12-25-21(29)19-6-7-20(24)33-19/h2-7,9,11,17,28H,8,10,12-13H2,1H3,(H,25,29)/t17-/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 70n/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