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BDBM50209895 CHEMBL244221::N-({7-[amino(imino)methyl]-2-naphthyl}methyl)-N-{1-[(2,5-dimethoxyphenyl)sulfonyl]piperidin-4-yl}acetamide

SMILES: COc1ccc(OC)c(c1)S(=O)(=O)N1CCC(CC1)N(Cc1ccc2ccc(cc2c1)C(N)=N)C(C)=O

InChI Key: InChIKey=QWLVBZMTHXDFED-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50209895   
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))
BDBM50209895
PNG
(CHEMBL244221 | N-({7-[amino(imino)methyl]-2-naphth...)
Show SMILES COc1ccc(OC)c(c1)S(=O)(=O)N1CCC(CC1)N(Cc1ccc2ccc(cc2c1)C(N)=N)C(C)=O
Show InChI InChI=1S/C27H32N4O5S/c1-18(32)31(17-19-4-5-20-6-7-21(27(28)29)15-22(20)14-19)23-10-12-30(13-11-23)37(33,34)26-16-24(35-2)8-9-25(26)36-3/h4-9,14-16,23H,10-13,17H2,1-3H3,(H3,28,29)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem 15: 4175-92 (2007)


Article DOI: 10.1016/j.bmc.2007.03.066
BindingDB Entry DOI: 10.7270/Q27H1J90
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50209895
PNG
(CHEMBL244221 | N-({7-[amino(imino)methyl]-2-naphth...)
Show SMILES COc1ccc(OC)c(c1)S(=O)(=O)N1CCC(CC1)N(Cc1ccc2ccc(cc2c1)C(N)=N)C(C)=O
Show InChI InChI=1S/C27H32N4O5S/c1-18(32)31(17-19-4-5-20-6-7-21(27(28)29)15-22(20)14-19)23-10-12-30(13-11-23)37(33,34)26-16-24(35-2)8-9-25(26)36-3/h4-9,14-16,23H,10-13,17H2,1-3H3,(H3,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human thrombin


Bioorg Med Chem 15: 4175-92 (2007)


Article DOI: 10.1016/j.bmc.2007.03.066
BindingDB Entry DOI: 10.7270/Q27H1J90
More data for this
Ligand-Target Pair