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BDBM50167021 7-[1-(3-Amino-benzyl)-piperidin-4-ylmethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxamidine; trihydrochloride::CHEMBL538324

SMILES: NC(=N)N1CCc2ccc(OCC3CCN(Cc4cccc(N)c4)CC3)cc2C1

InChI Key: InChIKey=XIZINJSTBMMWIV-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50167021   
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


(Homo sapiens (Human))
BDBM50167021
PNG
(7-[1-(3-Amino-benzyl)-piperidin-4-ylmethoxy]-3,4-d...)
Show SMILES NC(=N)N1CCc2ccc(OCC3CCN(Cc4cccc(N)c4)CC3)cc2C1
Show InChI InChI=1S/C23H31N5O/c24-21-3-1-2-18(12-21)14-27-9-6-17(7-10-27)16-29-22-5-4-19-8-11-28(23(25)26)15-20(19)13-22/h1-5,12-13,17H,6-11,14-16,24H2,(H3,25,26)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 4.06E+3n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Coagulation factor X


J Med Chem 48: 3586-604 (2005)


Article DOI: 10.1021/jm058160e
BindingDB Entry DOI: 10.7270/Q2CR5V36
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50167021
PNG
(7-[1-(3-Amino-benzyl)-piperidin-4-ylmethoxy]-3,4-d...)
Show SMILES NC(=N)N1CCc2ccc(OCC3CCN(Cc4cccc(N)c4)CC3)cc2C1
Show InChI InChI=1S/C23H31N5O/c24-21-3-1-2-18(12-21)14-27-9-6-17(7-10-27)16-29-22-5-4-19-8-11-28(23(25)26)15-20(19)13-22/h1-5,12-13,17H,6-11,14-16,24H2,(H3,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Coagulation factor II (thrombin)


J Med Chem 48: 3586-604 (2005)


Article DOI: 10.1021/jm058160e
BindingDB Entry DOI: 10.7270/Q2CR5V36
More data for this
Ligand-Target Pair