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

InChI Key: InChIKey=WLUQFTQBDKCCLW-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 = 98169   
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))
BDBM98169
PNG
(US8487111, 10)
Show SMILES Cc1cc(ccc1-n1cccc(CCCO)c1=O)N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O |r|
Show InChI InChI=1S/C24H24ClN3O5S/c1-15-12-17(6-7-19(15)27-10-2-4-16(23(27)31)5-3-11-29)28-14-18(33-24(28)32)13-26-22(30)20-8-9-21(25)34-20/h2,4,6-10,12,18,29H,3,5,11,13-14H2,1H3,(H,26,30)/t18-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 74n/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))
BDBM98169
PNG
(US8487111, 10)
Show SMILES Cc1cc(ccc1-n1cccc(CCCO)c1=O)N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O |r|
Show InChI InChI=1S/C24H24ClN3O5S/c1-15-12-17(6-7-19(15)27-10-2-4-16(23(27)31)5-3-11-29)28-14-18(33-24(28)32)13-26-22(30)20-8-9-21(25)34-20/h2,4,6-10,12,18,29H,3,5,11,13-14H2,1H3,(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 40n/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