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BDBM50304619 (S)-2-(1-(3-(6-chloronaphthalen-2-ylsulfonyl)-2-hydroxypropanoyl)piperidin-4-yl)-5-methyl-1H-imidazo[1,5-c]imidazol-3(2H)-one::2-(1-{(2S)-3-[(6-Chloronaphthalene-2-yl)sulfonyl]-2-hydroxypropanoyl}piperidin-4-yl)-5-methyl-1,2-dihydro-3Himidazo[1,5-c]imidazol-3-one::CHEMBL593461

SMILES: Cc1ncc2CN(C3CCN(CC3)C(=O)[C@H](O)CS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C(=O)n12

InChI Key: InChIKey=WSDPDXBHHQAFEA-JOCHJYFZSA-N

Data: 4 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50304619   
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))
BDBM50304619
PNG
((S)-2-(1-(3-(6-chloronaphthalen-2-ylsulfonyl)-2-hy...)
Show SMILES Cc1ncc2CN(C3CCN(CC3)C(=O)[C@H](O)CS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C(=O)n12 |r|
Show InChI InChI=1S/C24H25ClN4O5S/c1-15-26-12-20-13-28(24(32)29(15)20)19-6-8-27(9-7-19)23(31)22(30)14-35(33,34)21-5-3-16-10-18(25)4-2-17(16)11-21/h2-5,10-12,19,22,30H,6-9,13-14H2,1H3/t22-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


J Med Chem 53: 6243-74 (2010)


Article DOI: 10.1021/jm100146h
BindingDB Entry DOI: 10.7270/Q2CR5VBB
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50304619
PNG
((S)-2-(1-(3-(6-chloronaphthalen-2-ylsulfonyl)-2-hy...)
Show SMILES Cc1ncc2CN(C3CCN(CC3)C(=O)[C@H](O)CS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C(=O)n12 |r|
Show InChI InChI=1S/C24H25ClN4O5S/c1-15-26-12-20-13-28(24(32)29(15)20)19-6-8-27(9-7-19)23(31)22(30)14-35(33,34)21-5-3-16-10-18(25)4-2-17(16)11-21/h2-5,10-12,19,22,30H,6-9,13-14H2,1H3/t22-/m1/s1
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1.90E+3n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human thrombin by para-nitroanilide release assay


Bioorg Med Chem 17: 7993-8002 (2009)


Article DOI: 10.1016/j.bmc.2009.10.009
BindingDB Entry DOI: 10.7270/Q2HX1DM0
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50304619
PNG
((S)-2-(1-(3-(6-chloronaphthalen-2-ylsulfonyl)-2-hy...)
Show SMILES Cc1ncc2CN(C3CCN(CC3)C(=O)[C@H](O)CS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C(=O)n12 |r|
Show InChI InChI=1S/C24H25ClN4O5S/c1-15-26-12-20-13-28(24(32)29(15)20)19-6-8-27(9-7-19)23(31)22(30)14-35(33,34)21-5-3-16-10-18(25)4-2-17(16)11-21/h2-5,10-12,19,22,30H,6-9,13-14H2,1H3/t22-/m1/s1
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>6.00E+4n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human plasmin by para-nitroanilide release assay


Bioorg Med Chem 17: 7993-8002 (2009)


Article DOI: 10.1016/j.bmc.2009.10.009
BindingDB Entry DOI: 10.7270/Q2HX1DM0
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50304619
PNG
((S)-2-(1-(3-(6-chloronaphthalen-2-ylsulfonyl)-2-hy...)
Show SMILES Cc1ncc2CN(C3CCN(CC3)C(=O)[C@H](O)CS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C(=O)n12 |r|
Show InChI InChI=1S/C24H25ClN4O5S/c1-15-26-12-20-13-28(24(32)29(15)20)19-6-8-27(9-7-19)23(31)22(30)14-35(33,34)21-5-3-16-10-18(25)4-2-17(16)11-21/h2-5,10-12,19,22,30H,6-9,13-14H2,1H3/t22-/m1/s1
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>6.00E+4n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human tissue plasminogen activator by para-nitroanilide release assay


Bioorg Med Chem 17: 7993-8002 (2009)


Article DOI: 10.1016/j.bmc.2009.10.009
BindingDB Entry DOI: 10.7270/Q2HX1DM0
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50304619
PNG
((S)-2-(1-(3-(6-chloronaphthalen-2-ylsulfonyl)-2-hy...)
Show SMILES Cc1ncc2CN(C3CCN(CC3)C(=O)[C@H](O)CS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C(=O)n12 |r|
Show InChI InChI=1S/C24H25ClN4O5S/c1-15-26-12-20-13-28(24(32)29(15)20)19-6-8-27(9-7-19)23(31)22(30)14-35(33,34)21-5-3-16-10-18(25)4-2-17(16)11-21/h2-5,10-12,19,22,30H,6-9,13-14H2,1H3/t22-/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a assessed as p-nitroanilide release using S2765 as substrate by chromogenic assay


J Med Chem 53: 3517-31 (2010)


Article DOI: 10.1021/jm901699j
BindingDB Entry DOI: 10.7270/Q2PR7W52
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50304619
PNG
((S)-2-(1-(3-(6-chloronaphthalen-2-ylsulfonyl)-2-hy...)
Show SMILES Cc1ncc2CN(C3CCN(CC3)C(=O)[C@H](O)CS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C(=O)n12 |r|
Show InChI InChI=1S/C24H25ClN4O5S/c1-15-26-12-20-13-28(24(32)29(15)20)19-6-8-27(9-7-19)23(31)22(30)14-35(33,34)21-5-3-16-10-18(25)4-2-17(16)11-21/h2-5,10-12,19,22,30H,6-9,13-14H2,1H3/t22-/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by para-nitroanilide release assay


Bioorg Med Chem 17: 7993-8002 (2009)


Article DOI: 10.1016/j.bmc.2009.10.009
BindingDB Entry DOI: 10.7270/Q2HX1DM0
More data for this
Ligand-Target Pair