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Compile Data Set for Download or QSAR

Found 61 hits from Daiichi Pharmaceutical Co. Ltd   
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
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50157050
PNG
(CHEMBL361914 | [4-(1-{2-[3-Methoxy-4-(3-o-tolyl-ur...)
Show SMILES COc1cc(CC(=O)N2CC=CC2C(=O)N2CCN(CC(O)=O)CC2)ccc1NC(=O)Nc1ccccc1C
Show InChI InChI=1S/C28H33N5O6/c1-19-6-3-4-7-21(19)29-28(38)30-22-10-9-20(16-24(22)39-2)17-25(34)33-11-5-8-23(33)27(37)32-14-12-31(13-15-32)18-26(35)36/h3-10,16,23H,11-15,17-18H2,1-2H3,(H,35,36)(H2,29,30,38)
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n/an/a 1.40n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of VLA-4 receptor expressed in CHO cells


Bioorg Med Chem Lett 15: 41-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.041
BindingDB Entry DOI: 10.7270/Q23J3F7Q
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50157041
PNG
(CHEMBL185571 | [4-(1-{2-[3-Methoxy-4-(3-o-tolyl-ur...)
Show SMILES COc1cc(CC(=O)N2CCCC2C(=O)N2CCN(CC(O)=O)CC2)ccc1NC(=O)Nc1ccccc1C
Show InChI InChI=1S/C28H35N5O6/c1-19-6-3-4-7-21(19)29-28(38)30-22-10-9-20(16-24(22)39-2)17-25(34)33-11-5-8-23(33)27(37)32-14-12-31(13-15-32)18-26(35)36/h3-4,6-7,9-10,16,23H,5,8,11-15,17-18H2,1-2H3,(H,35,36)(H2,29,30,38)
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n/an/a 1.60n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of VLA-4 receptor expressed in CHO cells


Bioorg Med Chem Lett 15: 41-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.041
BindingDB Entry DOI: 10.7270/Q23J3F7Q
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50157039
PNG
(CHEMBL179780 | [4-(1-{2-[3-Methoxy-4-(3-o-tolyl-ur...)
Show SMILES COc1cc(CC(=O)N2CCCC2CN2CCN(CC(O)=O)CC2)ccc1NC(=O)Nc1ccccc1C
Show InChI InChI=1S/C28H37N5O5/c1-20-6-3-4-8-23(20)29-28(37)30-24-10-9-21(16-25(24)38-2)17-26(34)33-11-5-7-22(33)18-31-12-14-32(15-13-31)19-27(35)36/h3-4,6,8-10,16,22H,5,7,11-15,17-19H2,1-2H3,(H,35,36)(H2,29,30,37)
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n/an/a 1.60n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of VLA-4 receptor expressed in CHO cells


Bioorg Med Chem Lett 15: 41-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.041
BindingDB Entry DOI: 10.7270/Q23J3F7Q
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50157044
PNG
(CHEMBL369731 | [1-(1-{2-[4-(3-o-Tolyl-ureido)-phen...)
Show SMILES Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2CCCC2C(=O)N2CCC(CC(O)=O)CC2)cc1
Show InChI InChI=1S/C28H34N4O5/c1-19-5-2-3-6-23(19)30-28(37)29-22-10-8-20(9-11-22)17-25(33)32-14-4-7-24(32)27(36)31-15-12-21(13-16-31)18-26(34)35/h2-3,5-6,8-11,21,24H,4,7,12-18H2,1H3,(H,34,35)(H2,29,30,37)
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n/an/a 2.90n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of VLA-4 receptor expressed in CHO cells


Bioorg Med Chem Lett 15: 41-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.041
BindingDB Entry DOI: 10.7270/Q23J3F7Q
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50157046
PNG
(4-[(1-{2-[4-(3-o-Tolyl-ureido)-phenyl]-acetyl}-pyr...)
Show SMILES Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2CCCC2C(=O)Nc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C28H28N4O5/c1-18-5-2-3-6-23(18)31-28(37)30-22-12-8-19(9-13-22)17-25(33)32-16-4-7-24(32)26(34)29-21-14-10-20(11-15-21)27(35)36/h2-3,5-6,8-15,24H,4,7,16-17H2,1H3,(H,29,34)(H,35,36)(H2,30,31,37)
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n/an/a 3.80n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of VLA-4 receptor expressed in CHO cells


Bioorg Med Chem Lett 15: 41-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.041
BindingDB Entry DOI: 10.7270/Q23J3F7Q
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50157048
PNG
(CHEMBL360163 | [1-(4-{2-[4-(3-o-Tolyl-ureido)-phen...)
Show SMILES Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2CCOCC2C(=O)N2CCC(CC(O)=O)CC2)cc1
Show InChI InChI=1S/C28H34N4O6/c1-19-4-2-3-5-23(19)30-28(37)29-22-8-6-20(7-9-22)16-25(33)32-14-15-38-18-24(32)27(36)31-12-10-21(11-13-31)17-26(34)35/h2-9,21,24H,10-18H2,1H3,(H,34,35)(H2,29,30,37)
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n/an/a 4.40n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of VLA-4 receptor expressed in CHO cells


Bioorg Med Chem Lett 15: 41-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.041
BindingDB Entry DOI: 10.7270/Q23J3F7Q
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50157034
PNG
(5-(3-Methyl-butylcarbamoyl)-5-[(1-{2-[4-(3-o-tolyl...)
Show SMILES CC(C)CCNC(=O)C(CCCC(O)=O)NC(=O)C1CCCN1C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1
Show InChI InChI=1S/C32H43N5O6/c1-21(2)17-18-33-30(41)26(10-6-12-29(39)40)35-31(42)27-11-7-19-37(27)28(38)20-23-13-15-24(16-14-23)34-32(43)36-25-9-5-4-8-22(25)3/h4-5,8-9,13-16,21,26-27H,6-7,10-12,17-20H2,1-3H3,(H,33,41)(H,35,42)(H,39,40)(H2,34,36,43)
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n/an/a 4.70n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of VLA-4 receptor expressed in CHO cells


Bioorg Med Chem Lett 15: 41-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.041
BindingDB Entry DOI: 10.7270/Q23J3F7Q
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50157035
PNG
(5-[(1-{2-[4-(3-o-Tolyl-ureido)-phenyl]-acetyl}-pyr...)
Show SMILES Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2CCCC2C(=O)NCCCCC(O)=O)cc1
Show InChI InChI=1S/C26H32N4O5/c1-18-7-2-3-8-21(18)29-26(35)28-20-13-11-19(12-14-20)17-23(31)30-16-6-9-22(30)25(34)27-15-5-4-10-24(32)33/h2-3,7-8,11-14,22H,4-6,9-10,15-17H2,1H3,(H,27,34)(H,32,33)(H2,28,29,35)
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n/an/a 7.10n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of VLA-4 receptor expressed in CHO cells


Bioorg Med Chem Lett 15: 41-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.041
BindingDB Entry DOI: 10.7270/Q23J3F7Q
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50146539
PNG
(2-[4-(6-Chloro-naphthalene-2-sulfonyl)-piperazine-...)
Show SMILES C[N+]1(C)CCc2nc(sc2C1)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C23H26ClN4O3S2/c1-28(2)12-7-20-21(15-28)32-22(25-20)23(29)26-8-10-27(11-9-26)33(30,31)19-6-4-16-13-18(24)5-3-17(16)14-19/h3-6,13-14H,7-12,15H2,1-2H3/q+1
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n/an/a 7.80n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against human Coagulation factor X


Bioorg Med Chem Lett 14: 2935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.036
BindingDB Entry DOI: 10.7270/Q2VH5N9B
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50157040
PNG
(5-[(3-{2-[4-(3-o-Tolyl-ureido)-phenyl]-acetyl}-thi...)
Show SMILES Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2CSCC2C(=O)NCCCCC(O)=O)cc1
Show InChI InChI=1S/C25H30N4O5S/c1-17-6-2-3-7-20(17)28-25(34)27-19-11-9-18(10-12-19)14-22(30)29-16-35-15-21(29)24(33)26-13-5-4-8-23(31)32/h2-3,6-7,9-12,21H,4-5,8,13-16H2,1H3,(H,26,33)(H,31,32)(H2,27,28,34)
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n/an/a 10n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of VLA-4 receptor expressed in CHO cells


Bioorg Med Chem Lett 15: 41-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.041
BindingDB Entry DOI: 10.7270/Q23J3F7Q
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50157051
PNG
(CHEMBL181708 | [4-(1-{2-[4-(3-o-Tolyl-ureido)-phen...)
Show SMILES Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2CCCC2C(=O)N2CCN(CC(O)=O)CC2)cc1
Show InChI InChI=1S/C27H33N5O5/c1-19-5-2-3-6-22(19)29-27(37)28-21-10-8-20(9-11-21)17-24(33)32-12-4-7-23(32)26(36)31-15-13-30(14-16-31)18-25(34)35/h2-3,5-6,8-11,23H,4,7,12-18H2,1H3,(H,34,35)(H2,28,29,37)
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n/an/a 13n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of VLA-4 receptor expressed in CHO cells


Bioorg Med Chem Lett 15: 41-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.041
BindingDB Entry DOI: 10.7270/Q23J3F7Q
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50157053
PNG
(CHEMBL180106 | [4-(1-{2-[4-(3-o-Tolyl-ureido)-phen...)
Show SMILES Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2CCCC2CN2CCN(CC(O)=O)CC2)cc1
Show InChI InChI=1S/C27H35N5O4/c1-20-5-2-3-7-24(20)29-27(36)28-22-10-8-21(9-11-22)17-25(33)32-12-4-6-23(32)18-30-13-15-31(16-14-30)19-26(34)35/h2-3,5,7-11,23H,4,6,12-19H2,1H3,(H,34,35)(H2,28,29,36)
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n/an/a 14n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of VLA-4 receptor expressed in CHO cells


Bioorg Med Chem Lett 15: 41-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.041
BindingDB Entry DOI: 10.7270/Q23J3F7Q
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50157043
PNG
(5-[(1-{2-[4-(3-o-Tolyl-ureido)-phenyl]-acetyl}-2,5...)
Show SMILES Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2CC=CC2C(=O)NCCCCC(O)=O)cc1
Show InChI InChI=1S/C26H30N4O5/c1-18-7-2-3-8-21(18)29-26(35)28-20-13-11-19(12-14-20)17-23(31)30-16-6-9-22(30)25(34)27-15-5-4-10-24(32)33/h2-3,6-9,11-14,22H,4-5,10,15-17H2,1H3,(H,27,34)(H,32,33)(H2,28,29,35)
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n/an/a 20n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of VLA-4 receptor expressed in CHO cells


Bioorg Med Chem Lett 15: 41-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.041
BindingDB Entry DOI: 10.7270/Q23J3F7Q
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50146534
PNG
(CHEMBL100732 | [4-(6-Chloro-naphthalene-2-sulfonyl...)
Show SMILES CN1CCc2nc(sc2C1)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C22H23ClN4O3S2/c1-25-7-6-19-20(14-25)31-21(24-19)22(28)26-8-10-27(11-9-26)32(29,30)18-5-3-15-12-17(23)4-2-16(15)13-18/h2-5,12-13H,6-11,14H2,1H3
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n/an/a 22n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor X


J Med Chem 47: 5167-82 (2004)


Article DOI: 10.1021/jm049884d
BindingDB Entry DOI: 10.7270/Q2V987JK
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50146534
PNG
(CHEMBL100732 | [4-(6-Chloro-naphthalene-2-sulfonyl...)
Show SMILES CN1CCc2nc(sc2C1)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C22H23ClN4O3S2/c1-25-7-6-19-20(14-25)31-21(24-19)22(28)26-8-10-27(11-9-26)32(29,30)18-5-3-15-12-17(23)4-2-16(15)13-18/h2-5,12-13H,6-11,14H2,1H3
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n/an/a 22n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against human Coagulation factor X


Bioorg Med Chem Lett 14: 2935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.036
BindingDB Entry DOI: 10.7270/Q2VH5N9B
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50146538
PNG
(4-(6-Chloro-naphthalene-2-sulfonyl)-1-(5-methyl-4,...)
Show SMILES CN1CCc2nc(sc2C1)C(=O)N1CCN(CC1C(=O)NCC(N)=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C25H27ClN6O5S2/c1-30-7-6-19-21(14-30)38-24(29-19)25(35)32-9-8-31(13-20(32)23(34)28-12-22(27)33)39(36,37)18-5-3-15-10-17(26)4-2-16(15)11-18/h2-5,10-11,20H,6-9,12-14H2,1H3,(H2,27,33)(H,28,34)
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n/an/a 23n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against human Coagulation factor X


Bioorg Med Chem Lett 14: 2935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.036
BindingDB Entry DOI: 10.7270/Q2VH5N9B
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50146536
PNG
(4-(6-Chloro-naphthalene-2-sulfonyl)-1-(5-methyl-4,...)
Show SMILES CN1CCc2nc(sc2C1)C(=O)N1CCN(CC1C(N)=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C23H24ClN5O4S2/c1-27-7-6-18-20(13-27)34-22(26-18)23(31)29-9-8-28(12-19(29)21(25)30)35(32,33)17-5-3-14-10-16(24)4-2-15(14)11-17/h2-5,10-11,19H,6-9,12-13H2,1H3,(H2,25,30)
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n/an/a 24n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against human Coagulation factor X


Bioorg Med Chem Lett 14: 2935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.036
BindingDB Entry DOI: 10.7270/Q2VH5N9B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50146536
PNG
(4-(6-Chloro-naphthalene-2-sulfonyl)-1-(5-methyl-4,...)
Show SMILES CN1CCc2nc(sc2C1)C(=O)N1CCN(CC1C(N)=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C23H24ClN5O4S2/c1-27-7-6-18-20(13-27)34-22(26-18)23(31)29-9-8-28(12-19(29)21(25)30)35(32,33)17-5-3-14-10-16(24)4-2-15(14)11-17/h2-5,10-11,19H,6-9,12-13H2,1H3,(H2,25,30)
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n/an/a 24n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor X


J Med Chem 47: 5167-82 (2004)


Article DOI: 10.1021/jm049884d
BindingDB Entry DOI: 10.7270/Q2V987JK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50146532
PNG
(4-(6-Chloro-naphthalene-2-sulfonyl)-1-(5-methyl-4,...)
Show SMILES CN1CCc2nc(sc2C1)C(=O)N1CCN(CC1C(=O)NCC(=O)N1CCOCC1)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C29H33ClN6O6S2/c1-33-7-6-23-25(18-33)43-28(32-23)29(39)36-9-8-35(17-24(36)27(38)31-16-26(37)34-10-12-42-13-11-34)44(40,41)22-5-3-19-14-21(30)4-2-20(19)15-22/h2-5,14-15,24H,6-13,16-18H2,1H3,(H,31,38)
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n/an/a 25n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against human Coagulation factor X


Bioorg Med Chem Lett 14: 2935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.036
BindingDB Entry DOI: 10.7270/Q2VH5N9B
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50157047
PNG
(5-[(4-{2-[4-(3-o-Tolyl-ureido)-phenyl]-acetyl}-mor...)
Show SMILES Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2CCOCC2C(=O)NCCCCC(O)=O)cc1
Show InChI InChI=1S/C26H32N4O6/c1-18-6-2-3-7-21(18)29-26(35)28-20-11-9-19(10-12-20)16-23(31)30-14-15-36-17-22(30)25(34)27-13-5-4-8-24(32)33/h2-3,6-7,9-12,22H,4-5,8,13-17H2,1H3,(H,27,34)(H,32,33)(H2,28,29,35)
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n/an/a 26n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of VLA-4 receptor expressed in CHO cells


Bioorg Med Chem Lett 15: 41-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.041
BindingDB Entry DOI: 10.7270/Q23J3F7Q
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50146531
PNG
(4-(6-Chloro-naphthalene-2-sulfonyl)-1-(5-methyl-4,...)
Show SMILES CNC(=O)C1CN(CCN1C(=O)c1nc2CCN(C)Cc2s1)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C24H26ClN5O4S2/c1-26-22(31)20-13-29(36(33,34)18-6-4-15-11-17(25)5-3-16(15)12-18)9-10-30(20)24(32)23-27-19-7-8-28(2)14-21(19)35-23/h3-6,11-12,20H,7-10,13-14H2,1-2H3,(H,26,31)
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n/an/a 27n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against human Coagulation factor X


Bioorg Med Chem Lett 14: 2935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.036
BindingDB Entry DOI: 10.7270/Q2VH5N9B
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50157037
PNG
(5-[(1-{2-[4-(3-o-Tolyl-ureido)-phenyl]-acetyl}-pip...)
Show SMILES Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2CCCCC2C(=O)NCCCCC(O)=O)cc1
Show InChI InChI=1S/C27H34N4O5/c1-19-8-2-3-9-22(19)30-27(36)29-21-14-12-20(13-15-21)18-24(32)31-17-7-5-10-23(31)26(35)28-16-6-4-11-25(33)34/h2-3,8-9,12-15,23H,4-7,10-11,16-18H2,1H3,(H,28,35)(H,33,34)(H2,29,30,36)
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n/an/a 32n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of VLA-4 receptor expressed in CHO cells


Bioorg Med Chem Lett 15: 41-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.041
BindingDB Entry DOI: 10.7270/Q23J3F7Q
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50146537
PNG
(4-(6-Chloro-naphthalene-2-sulfonyl)-1-(5-methyl-4,...)
Show SMILES CC(C)NC(=O)C1CN(CCN1C(=O)c1nc2CCN(C)Cc2s1)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C26H30ClN5O4S2/c1-16(2)28-24(33)22-14-31(38(35,36)20-7-5-17-12-19(27)6-4-18(17)13-20)10-11-32(22)26(34)25-29-21-8-9-30(3)15-23(21)37-25/h4-7,12-13,16,22H,8-11,14-15H2,1-3H3,(H,28,33)
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n/an/a 45n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against human Coagulation factor X


Bioorg Med Chem Lett 14: 2935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.036
BindingDB Entry DOI: 10.7270/Q2VH5N9B
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50146535
PNG
(CHEMBL99483 | [4-(6-Chloro-naphthalene-2-sulfonyl)...)
Show SMILES Clc1ccc2cc(ccc2c1)S(=O)(=O)N1CCN(CC1)C(=O)c1nc2CCNCc2s1
Show InChI InChI=1S/C21H21ClN4O3S2/c22-16-3-1-15-12-17(4-2-14(15)11-16)31(28,29)26-9-7-25(8-10-26)21(27)20-24-18-5-6-23-13-19(18)30-20/h1-4,11-12,23H,5-10,13H2
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n/an/a 60n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against human Coagulation factor X


Bioorg Med Chem Lett 14: 2935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.036
BindingDB Entry DOI: 10.7270/Q2VH5N9B
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50146535
PNG
(CHEMBL99483 | [4-(6-Chloro-naphthalene-2-sulfonyl)...)
Show SMILES Clc1ccc2cc(ccc2c1)S(=O)(=O)N1CCN(CC1)C(=O)c1nc2CCNCc2s1
Show InChI InChI=1S/C21H21ClN4O3S2/c22-16-3-1-15-12-17(4-2-14(15)11-16)31(28,29)26-9-7-25(8-10-26)21(27)20-24-18-5-6-23-13-19(18)30-20/h1-4,11-12,23H,5-10,13H2
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n/an/a 60n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor X


J Med Chem 47: 5167-82 (2004)


Article DOI: 10.1021/jm049884d
BindingDB Entry DOI: 10.7270/Q2V987JK
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50157038
PNG
(4-[(1-{2-[4-(3-o-Tolyl-ureido)-phenyl]-acetyl}-pyr...)
Show SMILES Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2CCCC2C(=O)NCCCC(O)=O)cc1
Show InChI InChI=1S/C25H30N4O5/c1-17-6-2-3-7-20(17)28-25(34)27-19-12-10-18(11-13-19)16-22(30)29-15-5-8-21(29)24(33)26-14-4-9-23(31)32/h2-3,6-7,10-13,21H,4-5,8-9,14-16H2,1H3,(H,26,33)(H,31,32)(H2,27,28,34)
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n/an/a 76n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of VLA-4 receptor expressed in CHO cells


Bioorg Med Chem Lett 15: 41-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.041
BindingDB Entry DOI: 10.7270/Q23J3F7Q
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50154263
PNG
(4-(6-Chloro-naphthalene-2-sulfonyl)-1-(5-isopropyl...)
Show SMILES CC(C)N1CCc2nc(sc2C1)C(=O)N1CCN(CC1C(N)=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C25H28ClN5O4S2/c1-15(2)29-8-7-20-22(14-29)36-24(28-20)25(33)31-10-9-30(13-21(31)23(27)32)37(34,35)19-6-4-16-11-18(26)5-3-17(16)12-19/h3-6,11-12,15,21H,7-10,13-14H2,1-2H3,(H2,27,32)
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n/an/a 80n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor X


J Med Chem 47: 5167-82 (2004)


Article DOI: 10.1021/jm049884d
BindingDB Entry DOI: 10.7270/Q2V987JK
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50157036
PNG
(3-[(1-{2-[4-(3-o-Tolyl-ureido)-phenyl]-acetyl}-pyr...)
Show SMILES Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2CCCC2C(=O)NCCC(O)=O)cc1
Show InChI InChI=1S/C24H28N4O5/c1-16-5-2-3-6-19(16)27-24(33)26-18-10-8-17(9-11-18)15-21(29)28-14-4-7-20(28)23(32)25-13-12-22(30)31/h2-3,5-6,8-11,20H,4,7,12-15H2,1H3,(H,25,32)(H,30,31)(H2,26,27,33)
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n/an/a 82n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of VLA-4 receptor expressed in CHO cells


Bioorg Med Chem Lett 15: 41-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.041
BindingDB Entry DOI: 10.7270/Q23J3F7Q
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50154267
PNG
(4-(6-Chloro-naphthalene-2-sulfonyl)-1-(4,5,6,7-tet...)
Show SMILES NC(=O)C1CN(CCN1C(=O)c1nc2CCNCc2s1)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C22H22ClN5O4S2/c23-15-3-1-14-10-16(4-2-13(14)9-15)34(31,32)27-7-8-28(18(12-27)20(24)29)22(30)21-26-17-5-6-25-11-19(17)33-21/h1-4,9-10,18,25H,5-8,11-12H2,(H2,24,29)
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n/an/a 83n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor X


J Med Chem 47: 5167-82 (2004)


Article DOI: 10.1021/jm049884d
BindingDB Entry DOI: 10.7270/Q2V987JK
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50154264
PNG
(CHEMBL365654 | [4-(6-Chloro-naphthalene-2-sulfonyl...)
Show SMILES CN1CCc2cc(sc2C1)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C23H24ClN3O3S2/c1-25-7-6-18-14-21(31-22(18)15-25)23(28)26-8-10-27(11-9-26)32(29,30)20-5-3-16-12-19(24)4-2-17(16)13-20/h2-5,12-14H,6-11,15H2,1H3
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n/an/a 105n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor X


J Med Chem 47: 5167-82 (2004)


Article DOI: 10.1021/jm049884d
BindingDB Entry DOI: 10.7270/Q2V987JK
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50154265
PNG
(4-(6-Chloro-naphthalene-2-sulfonyl)-1-(5-ethyl-4,5...)
Show SMILES CCN1CCc2nc(sc2C1)C(=O)N1CCN(CC1C(N)=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C24H26ClN5O4S2/c1-2-28-8-7-19-21(14-28)35-23(27-19)24(32)30-10-9-29(13-20(30)22(26)31)36(33,34)18-6-4-15-11-17(25)5-3-16(15)12-18/h3-6,11-12,20H,2,7-10,13-14H2,1H3,(H2,26,31)
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n/an/a 110n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor X


J Med Chem 47: 5167-82 (2004)


Article DOI: 10.1021/jm049884d
BindingDB Entry DOI: 10.7270/Q2V987JK
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50157049
PNG
(4-{[(1-{2-[4-(3-o-Tolyl-ureido)-phenyl]-acetyl}-py...)
Show SMILES Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2CCCC2C(=O)NCC2CCC(CC2)C(O)=O)cc1
Show InChI InChI=1S/C29H36N4O5/c1-19-5-2-3-6-24(19)32-29(38)31-23-14-10-20(11-15-23)17-26(34)33-16-4-7-25(33)27(35)30-18-21-8-12-22(13-9-21)28(36)37/h2-3,5-6,10-11,14-15,21-22,25H,4,7-9,12-13,16-18H2,1H3,(H,30,35)(H,36,37)(H2,31,32,38)
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n/an/a 121n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of VLA-4 receptor expressed in CHO cells


Bioorg Med Chem Lett 15: 41-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.041
BindingDB Entry DOI: 10.7270/Q23J3F7Q
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50146540
PNG
(4-(6-Chloro-naphthalene-2-sulfonyl)-1-(5-methyl-4,...)
Show SMILES CN(C)C(=O)C1CN(CCN1C(=O)c1nc2CCN(C)Cc2s1)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C25H28ClN5O4S2/c1-28(2)24(32)21-14-30(37(34,35)19-7-5-16-12-18(26)6-4-17(16)13-19)10-11-31(21)25(33)23-27-20-8-9-29(3)15-22(20)36-23/h4-7,12-13,21H,8-11,14-15H2,1-3H3
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n/an/a 130n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against human Coagulation factor X


Bioorg Med Chem Lett 14: 2935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.036
BindingDB Entry DOI: 10.7270/Q2VH5N9B
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50157052
PNG
(1-(1-{2-[4-(3-o-Tolyl-ureido)-phenyl]-acetyl}-pyrr...)
Show SMILES Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2CCCC2C(=O)N2CCC(CC2)C(O)=O)cc1
Show InChI InChI=1S/C27H32N4O5/c1-18-5-2-3-6-22(18)29-27(36)28-21-10-8-19(9-11-21)17-24(32)31-14-4-7-23(31)25(33)30-15-12-20(13-16-30)26(34)35/h2-3,5-6,8-11,20,23H,4,7,12-17H2,1H3,(H,34,35)(H2,28,29,36)
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n/an/a 148n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of VLA-4 receptor expressed in CHO cells


Bioorg Med Chem Lett 15: 41-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.041
BindingDB Entry DOI: 10.7270/Q23J3F7Q
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50154270
PNG
(CHEMBL182957 | [4-(6-Chloro-naphthalene-2-sulfonyl...)
Show SMILES Clc1ccc2cc(ccc2c1)S(=O)(=O)N1CCN(CC1)C(=O)c1cc2CCNCc2s1
Show InChI InChI=1S/C22H22ClN3O3S2/c23-18-3-1-16-12-19(4-2-15(16)11-18)31(28,29)26-9-7-25(8-10-26)22(27)20-13-17-5-6-24-14-21(17)30-20/h1-4,11-13,24H,5-10,14H2
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n/an/a 160n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor X


J Med Chem 47: 5167-82 (2004)


Article DOI: 10.1021/jm049884d
BindingDB Entry DOI: 10.7270/Q2V987JK
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50154271
PNG
(CHEMBL185539 | [4-(6-Chloro-naphthalene-2-sulfonyl...)
Show SMILES CN1CCc2sc(cc2C1)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C23H24ClN3O3S2/c1-25-7-6-21-18(15-25)14-22(31-21)23(28)26-8-10-27(11-9-26)32(29,30)20-5-3-16-12-19(24)4-2-17(16)13-20/h2-5,12-14H,6-11,15H2,1H3
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n/an/a 190n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor X


J Med Chem 47: 5167-82 (2004)


Article DOI: 10.1021/jm049884d
BindingDB Entry DOI: 10.7270/Q2V987JK
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50154266
PNG
(CHEMBL181749 | [4-(6-Chloro-naphthalene-2-sulfonyl...)
Show SMILES CN1CCc2sc(nc2C1)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C22H23ClN4O3S2/c1-25-7-6-20-19(14-25)24-21(31-20)22(28)26-8-10-27(11-9-26)32(29,30)18-5-3-15-12-17(23)4-2-16(15)13-18/h2-5,12-13H,6-11,14H2,1H3
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n/an/a 210n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor X


J Med Chem 47: 5167-82 (2004)


Article DOI: 10.1021/jm049884d
BindingDB Entry DOI: 10.7270/Q2V987JK
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50154275
PNG
(CHEMBL183960 | [4-(6-Chloro-naphthalene-2-sulfonyl...)
Show SMILES Clc1ccc2cc(ccc2c1)S(=O)(=O)N1CCN(CC1)C(=O)c1cc2CNCCc2s1
Show InChI InChI=1S/C22H22ClN3O3S2/c23-18-3-1-16-12-19(4-2-15(16)11-18)31(28,29)26-9-7-25(8-10-26)22(27)21-13-17-14-24-6-5-20(17)30-21/h1-4,11-13,24H,5-10,14H2
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n/an/a 270n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor X


J Med Chem 47: 5167-82 (2004)


Article DOI: 10.1021/jm049884d
BindingDB Entry DOI: 10.7270/Q2V987JK
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50157045
PNG
(6-[(1-{2-[4-(3-o-Tolyl-ureido)-phenyl]-acetyl}-pyr...)
Show SMILES Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2CCCC2C(=O)NCCCCCC(O)=O)cc1
Show InChI InChI=1S/C27H34N4O5/c1-19-8-4-5-9-22(19)30-27(36)29-21-14-12-20(13-15-21)18-24(32)31-17-7-10-23(31)26(35)28-16-6-2-3-11-25(33)34/h4-5,8-9,12-15,23H,2-3,6-7,10-11,16-18H2,1H3,(H,28,35)(H,33,34)(H2,29,30,36)
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n/an/a 295n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of VLA-4 receptor expressed in CHO cells


Bioorg Med Chem Lett 15: 41-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.041
BindingDB Entry DOI: 10.7270/Q23J3F7Q
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50154273
PNG
(CHEMBL365826 | [4-(6-Chloro-naphthalene-2-sulfonyl...)
Show SMILES CN1CCc2[nH]c(cc2C1)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C23H25ClN4O3S/c1-26-7-6-21-18(15-26)14-22(25-21)23(29)27-8-10-28(11-9-27)32(30,31)20-5-3-16-12-19(24)4-2-17(16)13-20/h2-5,12-14,25H,6-11,15H2,1H3
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n/an/a 320n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor X


J Med Chem 47: 5167-82 (2004)


Article DOI: 10.1021/jm049884d
BindingDB Entry DOI: 10.7270/Q2V987JK
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50154262
PNG
(CHEMBL185141 | [4-(6-Chloro-naphthalene-2-sulfonyl...)
Show SMILES CN1CCc2cc(oc2C1)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C23H24ClN3O4S/c1-25-7-6-18-14-21(31-22(18)15-25)23(28)26-8-10-27(11-9-26)32(29,30)20-5-3-16-12-19(24)4-2-17(16)13-20/h2-5,12-14H,6-11,15H2,1H3
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n/an/a 550n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor X


J Med Chem 47: 5167-82 (2004)


Article DOI: 10.1021/jm049884d
BindingDB Entry DOI: 10.7270/Q2V987JK
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50146534
PNG
(CHEMBL100732 | [4-(6-Chloro-naphthalene-2-sulfonyl...)
Show SMILES CN1CCc2nc(sc2C1)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C22H23ClN4O3S2/c1-25-7-6-19-20(14-25)31-21(24-19)22(28)26-8-10-27(11-9-26)32(29,30)18-5-3-15-12-17(23)4-2-16(15)13-18/h2-5,12-13H,6-11,14H2,1H3
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n/an/a 560n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against human thrombin


Bioorg Med Chem Lett 14: 2935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.036
BindingDB Entry DOI: 10.7270/Q2VH5N9B
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50154268
PNG
(CHEMBL363048 | [4-(6-Chloro-naphthalene-2-sulfonyl...)
Show SMILES Clc1ccc2cc(ccc2c1)S(=O)(=O)N1CCN(CC1)C(=O)c1ccc2CNCCc2c1
Show InChI InChI=1S/C24H24ClN3O3S/c25-22-5-3-18-15-23(6-4-17(18)14-22)32(30,31)28-11-9-27(10-12-28)24(29)20-1-2-21-16-26-8-7-19(21)13-20/h1-6,13-15,26H,7-12,16H2
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n/an/a 640n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor X


J Med Chem 47: 5167-82 (2004)


Article DOI: 10.1021/jm049884d
BindingDB Entry DOI: 10.7270/Q2V987JK
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50146533
PNG
(4-(6-Chloro-naphthalene-2-sulfonyl)-1-(5-methyl-4,...)
Show SMILES CN1CCc2nc(sc2C1)C(=O)N1CCN(CC1C(=O)NCc1ccccc1)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C30H30ClN5O4S2/c1-34-12-11-25-27(19-34)41-29(33-25)30(38)36-14-13-35(18-26(36)28(37)32-17-20-5-3-2-4-6-20)42(39,40)24-10-8-21-15-23(31)9-7-22(21)16-24/h2-10,15-16,26H,11-14,17-19H2,1H3,(H,32,37)
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n/an/a 640n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against human Coagulation factor X


Bioorg Med Chem Lett 14: 2935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.036
BindingDB Entry DOI: 10.7270/Q2VH5N9B
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50146537
PNG
(4-(6-Chloro-naphthalene-2-sulfonyl)-1-(5-methyl-4,...)
Show SMILES CC(C)NC(=O)C1CN(CCN1C(=O)c1nc2CCN(C)Cc2s1)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C26H30ClN5O4S2/c1-16(2)28-24(33)22-14-31(38(35,36)20-7-5-17-12-19(27)6-4-18(17)13-20)10-11-32(22)26(34)25-29-21-8-9-30(3)15-23(21)37-25/h4-7,12-13,16,22H,8-11,14-15H2,1-3H3,(H,28,33)
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n/an/a 820n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against human thrombin


Bioorg Med Chem Lett 14: 2935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.036
BindingDB Entry DOI: 10.7270/Q2VH5N9B
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50146538
PNG
(4-(6-Chloro-naphthalene-2-sulfonyl)-1-(5-methyl-4,...)
Show SMILES CN1CCc2nc(sc2C1)C(=O)N1CCN(CC1C(=O)NCC(N)=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C25H27ClN6O5S2/c1-30-7-6-19-21(14-30)38-24(29-19)25(35)32-9-8-31(13-20(32)23(34)28-12-22(27)33)39(36,37)18-5-3-15-10-17(26)4-2-16(15)11-18/h2-5,10-11,20H,6-9,12-14H2,1H3,(H2,27,33)(H,28,34)
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n/an/a 880n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against human thrombin


Bioorg Med Chem Lett 14: 2935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.036
BindingDB Entry DOI: 10.7270/Q2VH5N9B
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50154272
PNG
(CHEMBL359966 | [4-(6-Chloro-naphthalene-2-sulfonyl...)
Show SMILES Clc1ccc2cc(ccc2c1)S(=O)(=O)N1CCN(CC1)C(=O)c1ccc2CNCCc2n1
Show InChI InChI=1S/C23H23ClN4O3S/c24-19-4-1-17-14-20(5-2-16(17)13-19)32(30,31)28-11-9-27(10-12-28)23(29)22-6-3-18-15-25-8-7-21(18)26-22/h1-6,13-14,25H,7-12,15H2
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n/an/a 920n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor X


J Med Chem 47: 5167-82 (2004)


Article DOI: 10.1021/jm049884d
BindingDB Entry DOI: 10.7270/Q2V987JK
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50146536
PNG
(4-(6-Chloro-naphthalene-2-sulfonyl)-1-(5-methyl-4,...)
Show SMILES CN1CCc2nc(sc2C1)C(=O)N1CCN(CC1C(N)=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C23H24ClN5O4S2/c1-27-7-6-18-20(13-27)34-22(26-18)23(31)29-9-8-28(12-19(29)21(25)30)35(32,33)17-5-3-14-10-16(24)4-2-15(14)11-17/h2-5,10-11,19H,6-9,12-13H2,1H3,(H2,25,30)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against human thrombin


Bioorg Med Chem Lett 14: 2935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.036
BindingDB Entry DOI: 10.7270/Q2VH5N9B
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50157042
PNG
(CHEMBL182400 | [(1-{2-[4-(3-o-Tolyl-ureido)-phenyl...)
Show SMILES Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2CCCC2C(=O)NCC(O)=O)cc1
Show InChI InChI=1S/C23H26N4O5/c1-15-5-2-3-6-18(15)26-23(32)25-17-10-8-16(9-11-17)13-20(28)27-12-4-7-19(27)22(31)24-14-21(29)30/h2-3,5-6,8-11,19H,4,7,12-14H2,1H3,(H,24,31)(H,29,30)(H2,25,26,32)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of VLA-4 receptor expressed in CHO cells


Bioorg Med Chem Lett 15: 41-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.041
BindingDB Entry DOI: 10.7270/Q23J3F7Q
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50146532
PNG
(4-(6-Chloro-naphthalene-2-sulfonyl)-1-(5-methyl-4,...)
Show SMILES CN1CCc2nc(sc2C1)C(=O)N1CCN(CC1C(=O)NCC(=O)N1CCOCC1)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C29H33ClN6O6S2/c1-33-7-6-23-25(18-33)43-28(32-23)29(39)36-9-8-35(17-24(36)27(38)31-16-26(37)34-10-12-42-13-11-34)44(40,41)22-5-3-19-14-21(30)4-2-20(19)15-22/h2-5,14-15,24H,6-13,16-18H2,1H3,(H,31,38)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against human thrombin


Bioorg Med Chem Lett 14: 2935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.036
BindingDB Entry DOI: 10.7270/Q2VH5N9B
More data for this
Ligand-Target Pair
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