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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor IX' and Ligand = 'BDBM352435'   
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 IX


(Homo sapiens (Human))
BDBM352435
PNG
(N-((1S*,4S*,7R*)-2-(3-Amino-5-methylisoxazolo[5,4-...)
Show SMILES Cc1ncn(n1)-c1ccc(C(=O)N[C@@H]2[C@H]3CC[C@@H]2N(C3)c2nc(C)cc3c(N)noc23)c(Cl)c1 |TLB:20:18:16.15:13|
Show InChI InChI=1S/C23H23ClN8O2/c1-11-7-16-20(34-30-21(16)25)22(27-11)31-9-13-3-6-18(31)19(13)28-23(33)15-5-4-14(8-17(15)24)32-10-26-12(2)29-32/h4-5,7-8,10,13,18-19H,3,6,9H2,1-2H3,(H2,25,30)(H,28,33)/t13-,18-,19+/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; Mochida Pharmaceutical Co., Ltd.

US Patent


Assay Description
Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. ...


US Patent US9808445 (2017)


BindingDB Entry DOI: 10.7270/Q28G8NV1
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM352435
PNG
(N-((1S*,4S*,7R*)-2-(3-Amino-5-methylisoxazolo[5,4-...)
Show SMILES Cc1ncn(n1)-c1ccc(C(=O)N[C@@H]2[C@H]3CC[C@@H]2N(C3)c2nc(C)cc3c(N)noc23)c(Cl)c1 |TLB:20:18:16.15:13|
Show InChI InChI=1S/C23H23ClN8O2/c1-11-7-16-20(34-30-21(16)25)22(27-11)31-9-13-3-6-18(31)19(13)28-23(33)15-5-4-14(8-17(15)24)32-10-26-12(2)29-32/h4-5,7-8,10,13,18-19H,3,6,9H2,1-2H3,(H2,25,30)(H,28,33)/t13-,18-,19+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; Mochida Pharmaceutical Co., Ltd.

US Patent


Assay Description
Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. ...


US Patent US9808445 (2017)


BindingDB Entry DOI: 10.7270/Q28G8NV1
More data for this
Ligand-Target Pair