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SMILES: CN1CCC(CC1)N1CCN(CC1)C(=O)Cc1csc(NC(=O)c2ccc(Cl)s2)n1

InChI Key: InChIKey=WNNDWCCTQMTXDK-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50295578   
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))
BDBM50295578
PNG
(5-chloro-N-(4-(2-(4-(1-methylpiperidin-4-yl)pipera...)
Show SMILES CN1CCC(CC1)N1CCN(CC1)C(=O)Cc1csc(NC(=O)c2ccc(Cl)s2)n1
Show InChI InChI=1S/C20H26ClN5O2S2/c1-24-6-4-15(5-7-24)25-8-10-26(11-9-25)18(27)12-14-13-29-20(22-14)23-19(28)16-2-3-17(21)30-16/h2-3,13,15H,4-12H2,1H3,(H,22,23,28)
PDB
MMDB

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PC cid
PC sid
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Patents


Similars

Article
PubMed
32n/an/an/an/an/an/an/an/a



F Hoffmann - La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Eur J Med Chem 44: 2787-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50295578
PNG
(5-chloro-N-(4-(2-(4-(1-methylpiperidin-4-yl)pipera...)
Show SMILES CN1CCC(CC1)N1CCN(CC1)C(=O)Cc1csc(NC(=O)c2ccc(Cl)s2)n1
Show InChI InChI=1S/C20H26ClN5O2S2/c1-24-6-4-15(5-7-24)25-8-10-26(11-9-25)18(27)12-14-13-29-20(22-14)23-19(28)16-2-3-17(21)30-16/h2-3,13,15H,4-12H2,1H3,(H,22,23,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.53E+4n/an/an/an/an/an/an/an/a



F Hoffmann - La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to thrombin


Eur J Med Chem 44: 2787-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP
More data for this
Ligand-Target Pair