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Compile Data Set for Download or QSAR

Found 6610 hits with Last Name = 'ji' and Initial = 'z'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor X


(Homo sapiens (Human))
BDBM50142111
PNG
(1-{4'-[4-Chloro-2-(5-chloro-pyridin-2-ylcarbamoyl)...)
Show SMILES OC(=O)C1CCN(CC1)c1ccccc1-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C31H26Cl2N4O4/c32-22-9-11-26(25(17-22)30(39)36-28-12-10-23(33)18-34-28)35-29(38)20-7-5-19(6-8-20)24-3-1-2-4-27(24)37-15-13-21(14-16-37)31(40)41/h1-12,17-18,21H,13-16H2,(H,35,38)(H,40,41)(H,34,36,39)
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0.0120n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
BindingDB Entry DOI: 10.7270/Q21V5DF7
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12751
PNG
(1-(3-carbamimidoylphenyl)-3-methyl-N-[4-(2-sulfamo...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=N
Show InChI InChI=1S/C24H22N6O3S/c1-15-13-21(30(29-15)19-6-4-5-17(14-19)23(25)26)24(31)28-18-11-9-16(10-12-18)20-7-2-3-8-22(20)34(27,32)33/h2-14H,1H3,(H3,25,26)(H,28,31)(H2,27,32,33)
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0.0130n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Coagulation factor Xa (serine protease) was determined


Bioorg Med Chem Lett 12: 1511-5 (2002)


BindingDB Entry DOI: 10.7270/Q2P84B6X
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12751
PNG
(1-(3-carbamimidoylphenyl)-3-methyl-N-[4-(2-sulfamo...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=N
Show InChI InChI=1S/C24H22N6O3S/c1-15-13-21(30(29-15)19-6-4-5-17(14-19)23(25)26)24(31)28-18-11-9-16(10-12-18)20-7-2-3-8-22(20)34(27,32)33/h2-14H,1H3,(H3,25,26)(H,28,31)(H2,27,32,33)
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0.0130n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested for binding affinity against human Coagulation factor Xa (trypsin-like serine protease)


Bioorg Med Chem Lett 12: 1651-5 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50193861
PNG
(5-chloro-N-(5-chloro-pyridin-2-yl)-2-[4-(N,N-dimet...)
Show SMILES CN(C)C(=N)c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C22H19Cl2N5O2/c1-29(2)20(25)13-3-5-14(6-4-13)21(30)27-18-9-7-15(23)11-17(18)22(31)28-19-10-8-16(24)12-26-19/h3-12,25H,1-2H3,(H,27,30)(H,26,28,31)
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0.0440n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of Factor 10a (unknown origin)


Bioorg Med Chem Lett 19: 2179-85 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.111
BindingDB Entry DOI: 10.7270/Q22Z15F5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50249120
PNG
(CHEMBL472967 | N-(4-chloro-2-(5-chloropyridin-2-yl...)
Show SMILES CN(C)C(=N)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1
Show InChI InChI=1S/C22H18Cl2FN5O2/c1-30(2)20(26)12-3-6-15(17(25)9-12)21(31)28-18-7-4-13(23)10-16(18)22(32)29-19-8-5-14(24)11-27-19/h3-11,26H,1-2H3,(H,28,31)(H,27,29,32)
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0.0600n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of Factor 10a (unknown origin)


Bioorg Med Chem Lett 19: 2179-85 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.111
BindingDB Entry DOI: 10.7270/Q22Z15F5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM19023
PNG
(1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-y...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)
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0.0800n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of Factor 10a (unknown origin)


Bioorg Med Chem Lett 19: 2179-85 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.111
BindingDB Entry DOI: 10.7270/Q22Z15F5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50142125
PNG
(2'-(Acetimidoylamino-methyl)-biphenyl-4-carboxylic...)
Show SMILES CC(N)=NCc1ccccc1-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 |w:3.3|
Show InChI InChI=1S/C28H23Cl2N5O2/c1-17(31)32-15-20-4-2-3-5-23(20)18-6-8-19(9-7-18)27(36)34-25-12-10-21(29)14-24(25)28(37)35-26-13-11-22(30)16-33-26/h2-14,16H,15H2,1H3,(H2,31,32)(H,34,36)(H,33,35,37)
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0.100n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
BindingDB Entry DOI: 10.7270/Q21V5DF7
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142139
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-{4-[(N-methyl...)
Show SMILES CN(Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)C(N)=N
Show InChI InChI=1S/C22H20Cl2N6O2/c1-30(22(25)26)12-13-2-4-14(5-3-13)20(31)28-18-8-6-15(23)10-17(18)21(32)29-19-9-7-16(24)11-27-19/h2-11H,12H2,1H3,(H3,25,26)(H,28,31)(H,27,29,32)
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0.100n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor X.


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142090
PNG
(2'-(N,N-Dimethyl-carbamimidoyl)-biphenyl-4-carboxy...)
Show SMILES CN(C)C(=N)c1ccccc1-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C28H23Cl2N5O2/c1-35(2)26(31)22-6-4-3-5-21(22)17-7-9-18(10-8-17)27(36)33-24-13-11-19(29)15-23(24)28(37)34-25-14-12-20(30)16-32-25/h3-16,31H,1-2H3,(H,33,36)(H,32,34,37)
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0.100n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor X


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
BindingDB Entry DOI: 10.7270/Q21V5DF7
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142112
PNG
(2'-Dimethylamino-biphenyl-4-carboxylic acid [4-chl...)
Show SMILES CN(C)c1ccccc1-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C27H22Cl2N4O2/c1-33(2)24-6-4-3-5-21(24)17-7-9-18(10-8-17)26(34)31-23-13-11-19(28)15-22(23)27(35)32-25-14-12-20(29)16-30-25/h3-16H,1-2H3,(H,31,34)(H,30,32,35)
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0.100n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor X


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
BindingDB Entry DOI: 10.7270/Q21V5DF7
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50249423
PNG
(CHEMBL515919 | N-(2-(5-chloropyridin-2-ylcarbamoyl...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2F)C(=N)N(C)C)c(c1)C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C23H21ClFN5O3/c1-30(2)21(26)13-4-7-16(18(25)10-13)22(31)28-19-8-6-15(33-3)11-17(19)23(32)29-20-9-5-14(24)12-27-20/h4-12,26H,1-3H3,(H,28,31)(H,27,29,32)
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0.105n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of Factor 10a (unknown origin)


Bioorg Med Chem Lett 19: 2179-85 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.111
BindingDB Entry DOI: 10.7270/Q22Z15F5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50249298
PNG
(BEVYXXA | CHEMBL512351 | N-(5-chloropyridin-2-yl)-...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)C(=N)N(C)C)c(c1)C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C23H22ClN5O3/c1-29(2)21(25)14-4-6-15(7-5-14)22(30)27-19-10-9-17(32-3)12-18(19)23(31)28-20-11-8-16(24)13-26-20/h4-13,25H,1-3H3,(H,27,30)(H,26,28,31)
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0.117n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of Factor 10a (unknown origin)


Bioorg Med Chem Lett 19: 2179-85 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.111
BindingDB Entry DOI: 10.7270/Q22Z15F5
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50050513
PNG
((R)-1-((S)-2-amino-3-methylbutanoyl)pyrrolidin-2-y...)
Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1
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0.180n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human placental DPP4


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50113598
PNG
((Z)-3-(3-Carbamimidoyl-4-fluoro-phenyl)-2-fluoro-b...)
Show SMILES C\C(=C(/F)C(=O)Nc1ccc(cc1Cl)-c1ccccc1S(N)(=O)=O)c1ccc(F)c(c1)C(N)=N
Show InChI InChI=1S/C23H19ClF2N4O3S/c1-12(13-6-8-18(25)16(10-13)22(27)28)21(26)23(31)30-19-9-7-14(11-17(19)24)15-4-2-3-5-20(15)34(29,32)33/h2-11H,1H3,(H3,27,28)(H,30,31)(H2,29,32,33)/b21-12+
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0.180n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against factor Xa,activity expressed as Ki nM


Bioorg Med Chem Lett 12: 1511-5 (2002)


BindingDB Entry DOI: 10.7270/Q2P84B6X
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142129
PNG
(2'-(4-Hydroxy-piperidin-1-yl)-biphenyl-4-carboxyli...)
Show SMILES OC1CCN(CC1)c1ccccc1-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C30H26Cl2N4O3/c31-21-9-11-26(25(17-21)30(39)35-28-12-10-22(32)18-33-28)34-29(38)20-7-5-19(6-8-20)24-3-1-2-4-27(24)36-15-13-23(37)14-16-36/h1-12,17-18,23,37H,13-16H2,(H,34,38)(H,33,35,39)
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0.200n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor X


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
BindingDB Entry DOI: 10.7270/Q21V5DF7
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142118
PNG
(2'-Amino-biphenyl-4-carboxylic acid [4-chloro-2-(5...)
Show SMILES Nc1ccccc1-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C25H18Cl2N4O2/c26-17-9-11-22(20(13-17)25(33)31-23-12-10-18(27)14-29-23)30-24(32)16-7-5-15(6-8-16)19-3-1-2-4-21(19)28/h1-14H,28H2,(H,30,32)(H,29,31,33)
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0.200n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor X


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
BindingDB Entry DOI: 10.7270/Q21V5DF7
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142169
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-[4-(N,N'-dime...)
Show SMILES CNC(=N)N(C)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C23H22Cl2N6O2/c1-27-23(26)31(2)13-14-3-5-15(6-4-14)21(32)29-19-9-7-16(24)11-18(19)22(33)30-20-10-8-17(25)12-28-20/h3-12H,13H2,1-2H3,(H2,26,27)(H,29,32)(H,28,30,33)
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0.200n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50050525
PNG
((R)-1-((S)-2-aminopropanoyl)pyrrolidin-2-ylboronic...)
Show SMILES C[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C7H15BN2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6,12-13H,2-4,9H2,1H3/t5-,6-/m0/s1
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0.270n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human placental DPP4


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50180206
PNG
((2S,3S,4R,5R)-5-(2-chloro-6-(methylamino)-9H-purin...)
Show SMILES CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(Cl)nc12
Show InChI InChI=1S/C12H15ClN6O3S/c1-14-8-4-9(18-12(13)17-8)19(3-16-4)11-6(21)5(20)7(23-11)10(22)15-2/h3,5-7,11,20-21H,1-2H3,(H,15,22)(H,14,17,18)/t5-,6+,7-,11+/m0/s1
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0.280n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor transfected in CHO cells


J Med Chem 49: 273-81 (2006)


Article DOI: 10.1021/jm050595e
BindingDB Entry DOI: 10.7270/Q2736QG2
More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM50235631
PNG
(CHEMBL4060827)
Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)C(C)=O)C1CCc2cccc(F)c12 |r|
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0.290n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1576-1583 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.030
More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM50235630
PNG
(CHEMBL4093096)
Show SMILES CN(C)[C@H]1CC(C[C@@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O)C1CCc2cccc(F)c12 |r|
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0.300n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1576-1583 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.030
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142161
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-(4-{[methyl-(...)
Show SMILES CN(Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)C1=NCCN1C |t:32|
Show InChI InChI=1S/C25H24Cl2N6O2/c1-32-12-11-28-25(32)33(2)15-16-3-5-17(6-4-16)23(34)30-21-9-7-18(26)13-20(21)24(35)31-22-10-8-19(27)14-29-22/h3-10,13-14H,11-12,15H2,1-2H3,(H,30,34)(H,29,31,35)
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0.300n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142126
PNG
(2'-Guanidinomethyl-biphenyl-4-carboxylic acid [4-c...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-c1ccccc1-c1ccc(cc1)-[#6](=O)-[#7]-c1ccc(Cl)cc1-[#6](=O)-[#7]-c1ccc(Cl)cn1
Show InChI InChI=1S/C27H22Cl2N6O2/c28-19-9-11-23(22(13-19)26(37)35-24-12-10-20(29)15-32-24)34-25(36)17-7-5-16(6-8-17)21-4-2-1-3-18(21)14-33-27(30)31/h1-13,15H,14H2,(H,34,36)(H4,30,31,33)(H,32,35,37)
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0.300n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
BindingDB Entry DOI: 10.7270/Q21V5DF7
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142142
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-[4-(N',N'-dim...)
Show SMILES CN(C)NCc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C22H21Cl2N5O2/c1-29(2)26-12-14-3-5-15(6-4-14)21(30)27-19-9-7-16(23)11-18(19)22(31)28-20-10-8-17(24)13-25-20/h3-11,13,26H,12H2,1-2H3,(H,27,30)(H,25,28,31)
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0.300n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50140394
PNG
(2-(6-Chloro-naphthalen-2-yl)-5-methyl-2H-pyrazole-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)N2CCOCC2=O)n(n1)-c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C25H21ClN4O3/c1-16-12-23(30(28-16)22-7-3-17-13-19(26)4-2-18(17)14-22)25(32)27-20-5-8-21(9-6-20)29-10-11-33-15-24(29)31/h2-9,12-14H,10-11,15H2,1H3,(H,27,32)
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0.300n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against Coagulation factor X


Bioorg Med Chem Lett 14: 1221-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.053
BindingDB Entry DOI: 10.7270/Q2VD6XV5
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50180197
PNG
((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)
Show SMILES CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
Show InChI InChI=1S/C18H18ClIN6O3S/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1
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0.380n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor transfected in CHO cells


J Med Chem 49: 273-81 (2006)


Article DOI: 10.1021/jm050595e
BindingDB Entry DOI: 10.7270/Q2736QG2
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25771
PNG
(1-hydroxy-2-naphthoic acid;4-[1-hydroxy-2-[6-(4-ph...)
Show SMILES OCc1cc(ccc1O)C(O)CNCCCCCCOCCCCc1ccccc1
Show InChI InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2
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0.390n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human recombinant beta2 adrenergic receptor expressed in CHO cells by filtration assay


J Med Chem 53: 3675-84 (2010)


Article DOI: 10.1021/jm100068m
BindingDB Entry DOI: 10.7270/Q27H1JRT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50050511
PNG
((R)-1-(2-aminoacetyl)pyrrolidin-2-ylboronic acid |...)
Show SMILES NCC(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C6H13BN2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5,11-12H,1-4,8H2/t5-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human placental DPP4


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50180219
PNG
((2-chloropurin-9-yl)-3,4-dihydroxytetrahydrothiphe...)
Show SMILES CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(Cl)nc12
Show InChI InChI=1S/C11H13ClN6O3S/c1-14-9(21)6-4(19)5(20)10(22-6)18-2-15-3-7(13)16-11(12)17-8(3)18/h2,4-6,10,19-20H,1H3,(H,14,21)(H2,13,16,17)/t4-,5+,6-,10+/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor transfected in CHO cells


J Med Chem 49: 273-81 (2006)


Article DOI: 10.1021/jm050595e
BindingDB Entry DOI: 10.7270/Q2736QG2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM7840
PNG
(RIVAROXABAN | US8822458, 44 | US8822458, 97)
Show SMILES Clc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r|
Show InChI InChI=1S/C19H18ClN3O5S/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)/t14-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of Factor 10a (unknown origin)


Bioorg Med Chem Lett 19: 2179-85 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.111
BindingDB Entry DOI: 10.7270/Q22Z15F5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50050511
PNG
((R)-1-(2-aminoacetyl)pyrrolidin-2-ylboronic acid |...)
Show SMILES NCC(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C6H13BN2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5,11-12H,1-4,8H2/t5-/m0/s1
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0.410n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP9 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM50235643
PNG
(CHEMBL4076017)
Show SMILES CN(C)[C@H]1CN(C[C@@H]1C1CCN(CC1)c1ccc(cn1)C(N)=O)C1CCc2cccc(F)c12 |r|
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0.450n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor


Bioorg Med Chem Lett 27: 1576-1583 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.030
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142158
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-[4-(2-imino-i...)
Show SMILES NC1=NCCN1Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 |t:1|
Show InChI InChI=1S/C23H20Cl2N6O2/c24-16-5-7-19(18(11-16)22(33)30-20-8-6-17(25)12-28-20)29-21(32)15-3-1-14(2-4-15)13-31-10-9-27-23(31)26/h1-8,11-12H,9-10,13H2,(H2,26,27)(H,29,32)(H,28,30,33)
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0.5n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50140371
PNG
(2-(3-Fluoro-naphthalen-2-yl)-5-methyl-2H-pyrazole-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2F)N2CCOCC2=O)n(n1)-c1cc2ccccc2cc1F
Show InChI InChI=1S/C25H20F2N4O3/c1-15-10-23(31(29-15)22-12-17-5-3-2-4-16(17)11-20(22)27)25(33)28-21-7-6-18(13-19(21)26)30-8-9-34-14-24(30)32/h2-7,10-13H,8-9,14H2,1H3,(H,28,33)
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0.5n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against Coagulation factor X


Bioorg Med Chem Lett 14: 1221-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.053
BindingDB Entry DOI: 10.7270/Q2VD6XV5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50140388
PNG
(2-(6-Chloro-naphthalen-2-yl)-5-methyl-2H-pyrazole-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2F)N2CCOCC2=O)n(n1)-c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C25H20ClFN4O3/c1-15-10-23(31(29-15)20-5-3-16-11-18(26)4-2-17(16)12-20)25(33)28-22-7-6-19(13-21(22)27)30-8-9-34-14-24(30)32/h2-7,10-13H,8-9,14H2,1H3,(H,28,33)
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0.5n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against Coagulation factor X


Bioorg Med Chem Lett 14: 1221-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.053
BindingDB Entry DOI: 10.7270/Q2VD6XV5
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50050525
PNG
((R)-1-((S)-2-aminopropanoyl)pyrrolidin-2-ylboronic...)
Show SMILES C[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C7H15BN2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6,12-13H,2-4,9H2,1H3/t5-,6-/m0/s1
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0.530n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP9 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142177
PNG
(2-{4-[(Acetimidoyl-methyl-amino)-methyl]-benzoylam...)
Show SMILES CN(Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)C(C)=N
Show InChI InChI=1S/C23H21Cl2N5O2/c1-14(26)30(2)13-15-3-5-16(6-4-15)22(31)28-20-9-7-17(24)11-19(20)23(32)29-21-10-8-18(25)12-27-21/h3-12,26H,13H2,1-2H3,(H,28,31)(H,27,29,32)
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0.600n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM50235658
PNG
(CHEMBL4073166)
Show SMILES CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1C1CCN(CC1)c1cnc(cn1)C(N)=O |r|
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0.650n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor


Bioorg Med Chem Lett 27: 1576-1583 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.030
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50180204
PNG
((2S,3S,4R,5R)-5-(2-chloro-6-(cyclopropylamino)-9H-...)
Show SMILES CCNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)nc(Cl)nc12
Show InChI InChI=1S/C15H19ClN6O3S/c1-2-17-13(25)10-8(23)9(24)14(26-10)22-5-18-7-11(19-6-3-4-6)20-15(16)21-12(7)22/h5-6,8-10,14,23-24H,2-4H2,1H3,(H,17,25)(H,19,20,21)/t8-,9+,10-,14+/m0/s1
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0.670n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor transfected in CHO cells


J Med Chem 49: 273-81 (2006)


Article DOI: 10.1021/jm050595e
BindingDB Entry DOI: 10.7270/Q2736QG2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50140424
PNG
(2-(6-Chloro-naphthalen-2-yl)-5-methyl-2H-pyrazole-...)
Show SMILES CN(C)C(=N)c1ccc(NC(=O)c2cc(C)nn2-c2ccc3cc(Cl)ccc3c2)c(F)c1
Show InChI InChI=1S/C24H21ClFN5O/c1-14-10-22(24(32)28-21-9-6-17(13-20(21)26)23(27)30(2)3)31(29-14)19-8-5-15-11-18(25)7-4-16(15)12-19/h4-13,27H,1-3H3,(H,28,32)
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0.700n/an/an/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))
BDBM50140413
PNG
(2-(3-Fluoro-naphthalen-2-yl)-5-trifluoromethyl-2H-...)
Show SMILES CN(C)C(=N)c1ccc(NC(=O)c2cc(nn2-c2cc3ccccc3cc2F)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C24H18F5N5O/c1-33(2)22(30)15-7-8-18(16(25)10-15)31-23(35)20-12-21(24(27,28)29)32-34(20)19-11-14-6-4-3-5-13(14)9-17(19)26/h3-12,30H,1-2H3,(H,31,35)
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0.700n/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))
BDBM50142089
PNG
(3'-Carbamimidoyl-biphenyl-4-carboxylic acid [4-chl...)
Show SMILES NC(=N)c1cccc(c1)-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C26H19Cl2N5O2/c27-19-8-10-22(21(13-19)26(35)33-23-11-9-20(28)14-31-23)32-25(34)16-6-4-15(5-7-16)17-2-1-3-18(12-17)24(29)30/h1-14H,(H3,29,30)(H,32,34)(H,31,33,35)
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0.700n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor X


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
BindingDB Entry DOI: 10.7270/Q21V5DF7
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50140443
PNG
(1-(6-Chloro-naphthalen-2-yl)-1H-tetrazole-5-carbox...)
Show SMILES CN(C)C(=N)c1ccc(NC(=O)c2nnnn2-c2ccc3cc(Cl)ccc3c2)c(F)c1
Show InChI InChI=1S/C21H17ClFN7O/c1-29(2)19(24)14-5-8-18(17(23)11-14)25-21(31)20-26-27-28-30(20)16-7-4-12-9-15(22)6-3-13(12)10-16/h3-11,24H,1-2H3,(H,25,31)
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0.700n/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
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50431227
PNG
(CHEMBL2333024)
Show SMILES CC(C)[C@H](NC(=O)c1cccnc1)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C15H22BN3O4/c1-10(2)13(18-14(20)11-5-3-7-17-9-11)15(21)19-8-4-6-12(19)16(22)23/h3,5,7,9-10,12-13,22-23H,4,6,8H2,1-2H3,(H,18,20)/t12-,13-/m0/s1
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0.730n/an/an/an/an/an/an/an/a



Tufts University Sackler School of Biomedical Sciences

Curated by ChEMBL


Assay Description
Competitive inhibition of human PREP using Suc-GP-AMC as substrate by Lineweaver-Burk plot analysis


J Med Chem 56: 3467-77 (2013)


Article DOI: 10.1021/jm400351a
BindingDB Entry DOI: 10.7270/Q2C53N7W
More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM50235644
PNG
(CHEMBL4065766)
Show SMILES CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1cn(C)c2c(cccc12)N1CCN(C)C(=O)C1 |r|
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0.740n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor


Bioorg Med Chem Lett 27: 1576-1583 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.030
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50050513
PNG
((R)-1-((S)-2-amino-3-methylbutanoyl)pyrrolidin-2-y...)
Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1
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0.760n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP9 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50123431
PNG
(7-{7-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-3-oxo-2...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc2N(Cc3ccc4ccc(cc4c3)C(N)=N)C(=O)COc2c1
Show InChI InChI=1S/C27H29N5O3/c1-17(28)31-10-8-22(9-11-31)35-23-6-7-24-25(14-23)34-16-26(33)32(24)15-18-2-3-19-4-5-20(27(29)30)13-21(19)12-18/h2-7,12-14,22,28H,8-11,15-16H2,1H3,(H3,29,30)
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0.780n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards factor Xa


Bioorg Med Chem Lett 13: 561-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DB816X
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142100
PNG
(2'-(4-Methyl-[1,4]diazepan-1-yl)-biphenyl-4-carbox...)
Show SMILES CN1CCCN(CC1)c1ccccc1-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C31H29Cl2N5O2/c1-37-15-4-16-38(18-17-37)28-6-3-2-5-25(28)21-7-9-22(10-8-21)30(39)35-27-13-11-23(32)19-26(27)31(40)36-29-14-12-24(33)20-34-29/h2-3,5-14,19-20H,4,15-18H2,1H3,(H,35,39)(H,34,36,40)
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0.800n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor X


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
BindingDB Entry DOI: 10.7270/Q21V5DF7
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50140370
PNG
(2-(3-Methanesulfonyl-naphthalen-2-yl)-5-methyl-2H-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2F)N2CCOCC2=O)n(n1)-c1cc2ccccc2cc1S(C)(=O)=O
Show InChI InChI=1S/C26H23FN4O5S/c1-16-11-23(26(33)28-21-8-7-19(14-20(21)27)30-9-10-36-15-25(30)32)31(29-16)22-12-17-5-3-4-6-18(17)13-24(22)37(2,34)35/h3-8,11-14H,9-10,15H2,1-2H3,(H,28,33)
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0.800n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against Coagulation factor X


Bioorg Med Chem Lett 14: 1221-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.053
BindingDB Entry DOI: 10.7270/Q2VD6XV5
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50180209
PNG
((2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H...)
Show SMILES CCNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C19H20ClIN6O3S/c1-2-22-17(30)14-12(28)13(29)18(31-14)27-8-24-11-15(25-19(20)26-16(11)27)23-7-9-4-3-5-10(21)6-9/h3-6,8,12-14,18,28-29H,2,7H2,1H3,(H,22,30)(H,23,25,26)/t12-,13+,14-,18+/m0/s1
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0.890n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor transfected in CHO cells


J Med Chem 49: 273-81 (2006)


Article DOI: 10.1021/jm050595e
BindingDB Entry DOI: 10.7270/Q2736QG2
More data for this
Ligand-Target Pair
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