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4 similar compounds to monomer 50140409

Compile data set for download or QSAR
Wt: 493.5
BDBM50140418
Wt: 519.5
BDBM50140420
Wt: 461.9
BDBM50140422
Wt: 533.6
BDBM50140428

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50140418,50140420,50140422,50140428   
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))
BDBM50140422
PNG
(2-(6-Chloro-naphthalen-2-yl)-5-methyl-2H-pyrazole-...)
Show SMILES CN1CCN=C1c1ccc(NC(=O)c2cc(C)nn2-c2ccc3cc(Cl)ccc3c2)c(F)c1
Show InChI InChI=1S/C25H21ClFN5O/c1-15-11-23(32(30-15)20-7-4-16-12-19(26)6-3-17(16)13-20)25(33)29-22-8-5-18(14-21(22)27)24-28-9-10-31(24)2/h3-8,11-14H,9-10H2,1-2H3,(H,29,33)
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1n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human Coagulation factor X


Bioorg Med Chem Lett 14: 1229-34 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.054
BindingDB Entry DOI: 10.7270/Q2QN6664
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50140418
PNG
(2-(3-Methanesulfonyl-naphthalen-2-yl)-5-methyl-2H-...)
Show SMILES CN(C)C(=N)c1ccc(NC(=O)c2cc(C)nn2-c2cc3ccccc3cc2S(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C25H24FN5O3S/c1-15-11-22(25(32)28-20-10-9-18(12-19(20)26)24(27)30(2)3)31(29-15)21-13-16-7-5-6-8-17(16)14-23(21)35(4,33)34/h5-14,27H,1-4H3,(H,28,32)
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2.80n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human Coagulation factor X


Bioorg Med Chem Lett 14: 1229-34 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.054
BindingDB Entry DOI: 10.7270/Q2QN6664
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50140422
PNG
(2-(6-Chloro-naphthalen-2-yl)-5-methyl-2H-pyrazole-...)
Show SMILES CN1CCN=C1c1ccc(NC(=O)c2cc(C)nn2-c2ccc3cc(Cl)ccc3c2)c(F)c1
Show InChI InChI=1S/C25H21ClFN5O/c1-15-11-23(32(30-15)20-7-4-16-12-19(26)6-3-17(16)13-20)25(33)29-22-8-5-18(14-21(22)27)24-28-9-10-31(24)2/h3-8,11-14H,9-10H2,1-2H3,(H,29,33)
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n/an/a 8n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human coagulation factor X


Bioorg Med Chem Lett 14: 1229-34 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.054
BindingDB Entry DOI: 10.7270/Q2QN6664
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50140428
PNG
(2-(3-Methanesulfonyl-naphthalen-2-yl)-5-methyl-2H-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2F)C(=N)N2CCCCC2)n(n1)-c1cc2ccccc2cc1S(C)(=O)=O
Show InChI InChI=1S/C28H28FN5O3S/c1-18-14-25(34(32-18)24-16-19-8-4-5-9-20(19)17-26(24)38(2,36)37)28(35)31-23-11-10-21(15-22(23)29)27(30)33-12-6-3-7-13-33/h4-5,8-11,14-17,30H,3,6-7,12-13H2,1-2H3,(H,31,35)
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n/an/a 28n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human coagulation factor X


Bioorg Med Chem Lett 14: 1229-34 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.054
BindingDB Entry DOI: 10.7270/Q2QN6664
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50140418
PNG
(2-(3-Methanesulfonyl-naphthalen-2-yl)-5-methyl-2H-...)
Show SMILES CN(C)C(=N)c1ccc(NC(=O)c2cc(C)nn2-c2cc3ccccc3cc2S(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C25H24FN5O3S/c1-15-11-22(25(32)28-20-10-9-18(12-19(20)26)24(27)30(2)3)31(29-15)21-13-16-7-5-6-8-17(16)14-23(21)35(4,33)34/h5-14,27H,1-4H3,(H,28,32)
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n/an/a 12n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human coagulation factor X


Bioorg Med Chem Lett 14: 1229-34 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.054
BindingDB Entry DOI: 10.7270/Q2QN6664
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50140420
PNG
(2-(3-Methanesulfonyl-naphthalen-2-yl)-5-methyl-2H-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2F)C(=N)N2CCCC2)n(n1)-c1cc2ccccc2cc1S(C)(=O)=O
Show InChI InChI=1S/C27H26FN5O3S/c1-17-13-24(27(34)30-22-10-9-20(14-21(22)28)26(29)32-11-5-6-12-32)33(31-17)23-15-18-7-3-4-8-19(18)16-25(23)37(2,35)36/h3-4,7-10,13-16,29H,5-6,11-12H2,1-2H3,(H,30,34)
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n/an/a 15n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human coagulation factor X


Bioorg Med Chem Lett 14: 1229-34 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.054
BindingDB Entry DOI: 10.7270/Q2QN6664
More data for this
Ligand-Target Pair