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BDBM50080096 CHEMBL3415985

SMILES: Fc1cc(ccc1N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O)-n1cccc1CN1CCCC1

InChI Key: InChIKey=HLBNMRUJUPXWGI-SFHVURJKSA-N

Data: 4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50080096   
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


(Oryctolagus cuniculus)
BDBM50080096
PNG
(CHEMBL3415985)
Show SMILES Fc1cc(ccc1N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O)-n1cccc1CN1CCCC1
Show InChI InChI=1S/C24H24ClFN4O3S/c25-22-8-7-21(34-22)23(31)27-13-18-15-30(24(32)33-18)20-6-5-16(12-19(20)26)29-11-3-4-17(29)14-28-9-1-2-10-28/h3-8,11-12,18H,1-2,9-10,13-15H2,(H,27,31)/t18-/m0/s1
PDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.01E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of F10a in rabbit plasma assessed as doubling of activated partial thromboplastin time


Eur J Med Chem 96: 369-80 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.025
BindingDB Entry DOI: 10.7270/Q22J6DKM
More data for this
Ligand-Target Pair
Coagulation factor X


(Oryctolagus cuniculus)
BDBM50080096
PNG
(CHEMBL3415985)
Show SMILES Fc1cc(ccc1N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O)-n1cccc1CN1CCCC1
Show InChI InChI=1S/C24H24ClFN4O3S/c25-22-8-7-21(34-22)23(31)27-13-18-15-30(24(32)33-18)20-6-5-16(12-19(20)26)29-11-3-4-17(29)14-28-9-1-2-10-28/h3-8,11-12,18H,1-2,9-10,13-15H2,(H,27,31)/t18-/m0/s1
PDB

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B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.45E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of F10a in rabbit plasma assessed as doubling of prothombin time


Eur J Med Chem 96: 369-80 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.025
BindingDB Entry DOI: 10.7270/Q22J6DKM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50080096
PNG
(CHEMBL3415985)
Show SMILES Fc1cc(ccc1N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O)-n1cccc1CN1CCCC1
Show InChI InChI=1S/C24H24ClFN4O3S/c25-22-8-7-21(34-22)23(31)27-13-18-15-30(24(32)33-18)20-6-5-16(12-19(20)26)29-11-3-4-17(29)14-28-9-1-2-10-28/h3-8,11-12,18H,1-2,9-10,13-15H2,(H,27,31)/t18-/m0/s1
PDB
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PC cid
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Article
PubMed
n/an/a 2.21E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of F10a in human plasma assessed as doubling of prothombin time


Eur J Med Chem 96: 369-80 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.025
BindingDB Entry DOI: 10.7270/Q22J6DKM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50080096
PNG
(CHEMBL3415985)
Show SMILES Fc1cc(ccc1N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O)-n1cccc1CN1CCCC1
Show InChI InChI=1S/C24H24ClFN4O3S/c25-22-8-7-21(34-22)23(31)27-13-18-15-30(24(32)33-18)20-6-5-16(12-19(20)26)29-11-3-4-17(29)14-28-9-1-2-10-28/h3-8,11-12,18H,1-2,9-10,13-15H2,(H,27,31)/t18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.92E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of F10a in human plasma assessed as doubling of activated partial thromboplastin time


Eur J Med Chem 96: 369-80 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.025
BindingDB Entry DOI: 10.7270/Q22J6DKM
More data for this
Ligand-Target Pair