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Compile Data Set for Download or QSAR

Found 182 hits with Last Name = 'akamatsu' and Initial = 'm'   
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
Ecdysone receptor


(Drosophila melanogaster)
BDBM50326776
PNG
(2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE | CHEM...)
Show SMILES CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H44O6/c1-15(2)6-7-23(31)26(5,32)22-9-11-27(33)17-12-19(28)18-13-20(29)21(30)14-24(18,3)16(17)8-10-25(22,27)4/h12,15-16,18,20-23,29-33H,6-11,13-14H2,1-5H3/t16-,18-,20+,21-,22-,23+,24+,25+,26+,27+/m0/s1
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n/an/a 1.29n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Binding affinity to ecdysone receptor ligand binding domain in Drosophila melanogaster assessed as number of hydrogen bonds formed


Bioorg Med Chem 17: 5868-73 (2009)


Article DOI: 10.1016/j.bmc.2009.07.011
BindingDB Entry DOI: 10.7270/Q2H70H2S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421472
PNG
(CHEMBL352388)
Show SMILES CC[C@@H](NC(=O)c1ccc(cc1F)C(=N)N1CCSC1)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C25H35FN4O4S/c1-4-20(25(2,3)24(34)29-9-7-16(8-10-29)13-21(31)32)28-23(33)18-6-5-17(14-19(18)26)22(27)30-11-12-35-15-30/h5-6,14,16,20,27H,4,7-13,15H2,1-3H3,(H,28,33)(H,31,32)/t20-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421428
PNG
(CHEMBL169928)
Show SMILES CC[C@@H](NC(=O)c1ccc(cc1F)C(=N)N1CCC(O)CC1)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C27H39FN4O5/c1-4-22(27(2,3)26(37)32-11-7-17(8-12-32)15-23(34)35)30-25(36)20-6-5-18(16-21(20)28)24(29)31-13-9-19(33)10-14-31/h5-6,16-17,19,22,29,33H,4,7-15H2,1-3H3,(H,30,36)(H,34,35)/t22-/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421439
PNG
(CHEMBL424205)
Show SMILES CC[C@@H](NC(=O)c1ccc(cc1F)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C22H31FN4O4/c1-4-17(26-20(30)15-6-5-14(19(24)25)12-16(15)23)22(2,3)21(31)27-9-7-13(8-10-27)11-18(28)29/h5-6,12-13,17H,4,7-11H2,1-3H3,(H3,24,25)(H,26,30)(H,28,29)/t17-/m1/s1
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n/an/a 31n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421450
PNG
(CHEMBL353902)
Show SMILES CC[C@@H](NC(=O)c1ccc(cc1F)C(=N)N1CCN(C)CC1)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C27H40FN5O4/c1-5-22(27(2,3)26(37)33-10-8-18(9-11-33)16-23(34)35)30-25(36)20-7-6-19(17-21(20)28)24(29)32-14-12-31(4)13-15-32/h6-7,17-18,22,29H,5,8-16H2,1-4H3,(H,30,36)(H,34,35)/t22-/m1/s1
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n/an/a 36n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421447
PNG
(CHEMBL169139)
Show SMILES CCCC[C@@H](NC(=O)c1ccc(cc1F)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C24H35FN4O4/c1-4-5-6-19(28-22(32)17-8-7-16(21(26)27)14-18(17)25)24(2,3)23(33)29-11-9-15(10-12-29)13-20(30)31/h7-8,14-15,19H,4-6,9-13H2,1-3H3,(H3,26,27)(H,28,32)(H,30,31)/t19-/m1/s1
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n/an/a 37n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421436
PNG
(CHEMBL168328)
Show SMILES CC(C)([C@H](NC(=O)c1ccc(cc1)C(N)=N)c1cccc(O)c1)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C26H32N4O5/c1-26(2,25(35)30-12-10-16(11-13-30)14-21(32)33)22(19-4-3-5-20(31)15-19)29-24(34)18-8-6-17(7-9-18)23(27)28/h3-9,15-16,22,31H,10-14H2,1-2H3,(H3,27,28)(H,29,34)(H,32,33)/t22-/m1/s1
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n/an/a 38n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421444
PNG
(CHEMBL172627)
Show SMILES C[C@@H](NC(=O)c1ccc(cc1F)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C21H29FN4O4/c1-12(25-19(29)15-5-4-14(18(23)24)11-16(15)22)21(2,3)20(30)26-8-6-13(7-9-26)10-17(27)28/h4-5,11-13H,6-10H2,1-3H3,(H3,23,24)(H,25,29)(H,27,28)/t12-/m1/s1
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n/an/a 38n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421481
PNG
(CHEMBL169819)
Show SMILES CC[C@@H](NC(=O)c1ccc(cc1F)C(=N)N1CCN(CC1)c1ccc(F)cc1)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C32H41F2N5O4/c1-4-27(32(2,3)31(43)39-13-11-21(12-14-39)19-28(40)41)36-30(42)25-10-5-22(20-26(25)34)29(35)38-17-15-37(16-18-38)24-8-6-23(33)7-9-24/h5-10,20-21,27,35H,4,11-19H2,1-3H3,(H,36,42)(H,40,41)/t27-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421467
PNG
(CHEMBL170607)
Show SMILES CCC[C@@H](NC(=O)c1ccc(cc1)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C23H34N4O4/c1-4-5-18(26-21(30)17-8-6-16(7-9-17)20(24)25)23(2,3)22(31)27-12-10-15(11-13-27)14-19(28)29/h6-9,15,18H,4-5,10-14H2,1-3H3,(H3,24,25)(H,26,30)(H,28,29)/t18-/m1/s1
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n/an/a 41n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421464
PNG
(CHEMBL169547)
Show SMILES CCCC[C@@H](NC(=O)c1ccc(cc1)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C24H36N4O4/c1-4-5-6-19(27-22(31)18-9-7-17(8-10-18)21(25)26)24(2,3)23(32)28-13-11-16(12-14-28)15-20(29)30/h7-10,16,19H,4-6,11-15H2,1-3H3,(H3,25,26)(H,27,31)(H,29,30)/t19-/m1/s1
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n/an/a 41n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421487
PNG
(CHEMBL169585)
Show SMILES C[C@@H](NC(=O)c1ccc(cc1)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C21H30N4O4/c1-13(24-19(28)16-6-4-15(5-7-16)18(22)23)21(2,3)20(29)25-10-8-14(9-11-25)12-17(26)27/h4-7,13-14H,8-12H2,1-3H3,(H3,22,23)(H,24,28)(H,26,27)/t13-/m1/s1
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n/an/a 41n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421459
PNG
(CHEMBL172679)
Show SMILES CC(C)C[C@@H](NC(=O)c1ccc(cc1)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C24H36N4O4/c1-15(2)13-19(27-22(31)18-7-5-17(6-8-18)21(25)26)24(3,4)23(32)28-11-9-16(10-12-28)14-20(29)30/h5-8,15-16,19H,9-14H2,1-4H3,(H3,25,26)(H,27,31)(H,29,30)/t19-/m1/s1
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n/an/a 41n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421437
PNG
(CHEMBL169493)
Show SMILES CC[C@@H](NC(=O)c1ccc(cc1)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C22H32N4O4/c1-4-17(25-20(29)16-7-5-15(6-8-16)19(23)24)22(2,3)21(30)26-11-9-14(10-12-26)13-18(27)28/h5-8,14,17H,4,9-13H2,1-3H3,(H3,23,24)(H,25,29)(H,27,28)/t17-/m1/s1
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n/an/a 43n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421443
PNG
(CHEMBL169215)
Show SMILES CC[C@@H](NC(=O)c1ccc(cc1F)C(=N)N1CCCC1)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C26H37FN4O4/c1-4-21(26(2,3)25(35)31-13-9-17(10-14-31)15-22(32)33)29-24(34)19-8-7-18(16-20(19)27)23(28)30-11-5-6-12-30/h7-8,16-17,21,28H,4-6,9-15H2,1-3H3,(H,29,34)(H,32,33)/t21-/m1/s1
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n/an/a 45n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Ecdysone receptor


(Drosophila melanogaster)
BDBM50326777
PNG
((2beta,3beta,5beta,22R)-2,3,14,20,22,25-hexahydrox...)
Show SMILES CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1
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n/an/a 45.7n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Binding affinity to ecdysone receptor ligand binding domain in Drosophila melanogaster assessed as number of hydrogen bonds formed


Bioorg Med Chem 17: 5868-73 (2009)


Article DOI: 10.1016/j.bmc.2009.07.011
BindingDB Entry DOI: 10.7270/Q2H70H2S
More data for this
Ligand-Target Pair
Ecdysone receptor


(Drosophila melanogaster)
BDBM50414658
PNG
(CHEMBL559048)
Show SMILES CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H46O5/c1-15(2)6-9-24(31)27(5,32)23-8-7-17-16-12-20(28)19-13-21(29)22(30)14-26(19,4)18(16)10-11-25(17,23)3/h15-19,21-24,29-32H,6-14H2,1-5H3/t16-,17-,18-,19-,21+,22-,23-,24+,25-,26+,27+/m0/s1
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n/an/a 58.9n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Binding affinity to ecdysone receptor ligand binding domain in Drosophila melanogaster assessed as number of hydrogen bonds formed


Bioorg Med Chem 17: 5868-73 (2009)


Article DOI: 10.1016/j.bmc.2009.07.011
BindingDB Entry DOI: 10.7270/Q2H70H2S
More data for this
Ligand-Target Pair
Ecdysone receptor


(Drosophila melanogaster)
BDBM50414645
PNG
(CYASTERONE)
Show SMILES C[C@H]1OC(=O)[C@@H](C)[C@@H]1C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C29H44O8/c1-14-16(15(2)37-25(14)34)10-24(33)28(5,35)23-7-9-29(36)18-11-20(30)19-12-21(31)22(32)13-26(19,3)17(18)6-8-27(23,29)4/h11,14-17,19,21-24,31-33,35-36H,6-10,12-13H2,1-5H3/t14-,15+,16-,17-,19-,21+,22-,23-,24+,26+,27+,28+,29+/m0/s1
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n/an/a 61.7n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Binding affinity to ecdysone receptor ligand binding domain in Drosophila melanogaster assessed as number of hydrogen bonds formed


Bioorg Med Chem 17: 5868-73 (2009)


Article DOI: 10.1016/j.bmc.2009.07.011
BindingDB Entry DOI: 10.7270/Q2H70H2S
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421429
PNG
(CHEMBL172100)
Show SMILES CC(C)[C@@H](NC(=O)c1ccc(cc1)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C23H34N4O4/c1-14(2)19(26-21(30)17-7-5-16(6-8-17)20(24)25)23(3,4)22(31)27-11-9-15(10-12-27)13-18(28)29/h5-8,14-15,19H,9-13H2,1-4H3,(H3,24,25)(H,26,30)(H,28,29)/t19-/m1/s1
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n/an/a 76n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421456
PNG
(CHEMBL169671)
Show SMILES CC[C@@H](NC(=O)c1ccc(cc1F)C(=N)N1CCOCC1)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C26H37FN4O5/c1-4-21(26(2,3)25(35)31-9-7-17(8-10-31)15-22(32)33)29-24(34)19-6-5-18(16-20(19)27)23(28)30-11-13-36-14-12-30/h5-6,16-17,21,28H,4,7-15H2,1-3H3,(H,29,34)(H,32,33)/t21-/m1/s1
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n/an/a 79n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421480
PNG
(CHEMBL354325)
Show SMILES CC(C)([C@@H](CCc1ccccc1)NC(=O)c1ccc(cc1)C(N)=N)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C28H36N4O4/c1-28(2,27(36)32-16-14-20(15-17-32)18-24(33)34)23(13-8-19-6-4-3-5-7-19)31-26(35)22-11-9-21(10-12-22)25(29)30/h3-7,9-12,20,23H,8,13-18H2,1-2H3,(H3,29,30)(H,31,35)(H,33,34)/t23-/m1/s1
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n/an/a 79n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421476
PNG
(CHEMBL171831)
Show SMILES CCCCC[C@@H](NC(=O)c1ccc(cc1)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C25H38N4O4/c1-4-5-6-7-20(28-23(32)19-10-8-18(9-11-19)22(26)27)25(2,3)24(33)29-14-12-17(13-15-29)16-21(30)31/h8-11,17,20H,4-7,12-16H2,1-3H3,(H3,26,27)(H,28,32)(H,30,31)/t20-/m1/s1
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n/an/a 79n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421475
PNG
(CHEMBL171053)
Show SMILES C\C=C\[C@@H](NC(=O)c1ccc(cc1)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C23H32N4O4/c1-4-5-18(26-21(30)17-8-6-16(7-9-17)20(24)25)23(2,3)22(31)27-12-10-15(11-13-27)14-19(28)29/h4-9,15,18H,10-14H2,1-3H3,(H3,24,25)(H,26,30)(H,28,29)/b5-4+/t18-/m1/s1
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n/an/a 85n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Ecdysone receptor


(Drosophila melanogaster)
BDBM50414646
PNG
(INOKOSTERONE)
Show SMILES C[C@H](CO)CC[C@H](O)[C@@](C)(O)[C@@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H](O)[C@@H](O)C[C@@]4(C)[C@H]3CC[C@@]12C
Show InChI InChI=1S/C27H44O7/c1-15(14-28)5-6-23(32)26(4,33)22-8-10-27(34)17-11-19(29)18-12-20(30)21(31)13-24(18,2)16(17)7-9-25(22,27)3/h11,15-16,18,20-23,28,30-34H,5-10,12-14H2,1-4H3/t15-,16-,18-,20-,21-,22+,23-,24-,25-,26-,27+/m0/s1
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n/an/a 91.2n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Binding affinity to ecdysone receptor ligand binding domain in Drosophila melanogaster assessed as number of hydrogen bonds formed


Bioorg Med Chem 17: 5868-73 (2009)


Article DOI: 10.1016/j.bmc.2009.07.011
BindingDB Entry DOI: 10.7270/Q2H70H2S
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421448
PNG
(CHEMBL172270)
Show SMILES CC(C)([C@H](NC(=O)c1ccc(cc1)C(N)=N)c1ccc(O)cc1)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C26H32N4O5/c1-26(2,25(35)30-13-11-16(12-14-30)15-21(32)33)22(17-7-9-20(31)10-8-17)29-24(34)19-5-3-18(4-6-19)23(27)28/h3-10,16,22,31H,11-15H2,1-2H3,(H3,27,28)(H,29,34)(H,32,33)/t22-/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Ecdysone receptor


(Drosophila melanogaster)
BDBM50226672
PNG
(CHEMBL255034 | makisterone A)
Show SMILES C[C@H](C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C)C(C)(C)O
Show InChI InChI=1S/C28H46O7/c1-15(24(2,3)33)11-23(32)27(6,34)22-8-10-28(35)17-12-19(29)18-13-20(30)21(31)14-25(18,4)16(17)7-9-26(22,28)5/h12,15-16,18,20-23,30-35H,7-11,13-14H2,1-6H3/t15-,16+,18+,20-,21+,22+,23-,25-,26-,27-,28-/m1/s1
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n/an/a 112n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Binding affinity to ecdysone receptor ligand binding domain in Drosophila melanogaster assessed as number of hydrogen bonds formed


Bioorg Med Chem 17: 5868-73 (2009)


Article DOI: 10.1016/j.bmc.2009.07.011
BindingDB Entry DOI: 10.7270/Q2H70H2S
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421457
PNG
(CHEMBL169984)
Show SMILES CC(C)([C@H](NC(=O)c1ccc(cc1)C(N)=N)c1ccccc1)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C26H32N4O4/c1-26(2,25(34)30-14-12-17(13-15-30)16-21(31)32)22(18-6-4-3-5-7-18)29-24(33)20-10-8-19(9-11-20)23(27)28/h3-11,17,22H,12-16H2,1-2H3,(H3,27,28)(H,29,33)(H,31,32)/t22-/m1/s1
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n/an/a 115n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421442
PNG
(CHEMBL431177)
Show SMILES COC(\C=C\c1ccc(cc1)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C22H31N3O4/c1-22(2,21(28)25-12-10-16(11-13-25)14-19(26)27)18(29-3)9-6-15-4-7-17(8-5-15)20(23)24/h4-9,16,18H,10-14H2,1-3H3,(H3,23,24)(H,26,27)/b9-6+
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n/an/a 126n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421452
PNG
(CHEMBL170108)
Show SMILES CC(C)([C@H](NC(=O)c1ccc(cc1)C(N)=N)c1cccc(Cl)c1)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C26H31ClN4O4/c1-26(2,25(35)31-12-10-16(11-13-31)14-21(32)33)22(19-4-3-5-20(27)15-19)30-24(34)18-8-6-17(7-9-18)23(28)29/h3-9,15-16,22H,10-14H2,1-2H3,(H3,28,29)(H,30,34)(H,32,33)/t22-/m1/s1
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n/an/a 126n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421446
PNG
(CHEMBL67254)
Show SMILES CCOC(\C=C\c1ccc(cc1)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C23H33N3O4/c1-4-30-19(10-7-16-5-8-18(9-6-16)21(24)25)23(2,3)22(29)26-13-11-17(12-14-26)15-20(27)28/h5-10,17,19H,4,11-15H2,1-3H3,(H3,24,25)(H,27,28)/b10-7+
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n/an/a 129n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421449
PNG
(CHEMBL351620)
Show SMILES CC(C)(C(OCC=C)\C=C\c1ccc(cc1)C(N)=N)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C24H33N3O4/c1-4-15-31-20(10-7-17-5-8-19(9-6-17)22(25)26)24(2,3)23(30)27-13-11-18(12-14-27)16-21(28)29/h4-10,18,20H,1,11-16H2,2-3H3,(H3,25,26)(H,28,29)/b10-7+
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n/an/a 135n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421473
PNG
(CHEMBL424570)
Show SMILES CN([C@H](c1ccccc1)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1)C(=O)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C27H34N4O4/c1-27(2,26(35)31-15-13-18(14-16-31)17-22(32)33)23(19-7-5-4-6-8-19)30(3)25(34)21-11-9-20(10-12-21)24(28)29/h4-12,18,23H,13-17H2,1-3H3,(H3,28,29)(H,32,33)/t23-/m1/s1
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n/an/a 151n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421488
PNG
(CHEMBL350415)
Show SMILES CC(C)([C@H](NC(=O)c1ccc(cc1Cl)C(N)=N)c1ccccc1)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C26H31ClN4O4/c1-26(2,25(35)31-12-10-16(11-13-31)14-21(32)33)22(17-6-4-3-5-7-17)30-24(34)19-9-8-18(23(28)29)15-20(19)27/h3-9,15-16,22H,10-14H2,1-2H3,(H3,28,29)(H,30,34)(H,32,33)/t22-/m1/s1
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n/an/a 186n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50434570
PNG
(CHEMBL2386405)
Show SMILES Fc1ccc(cc1)-c1cc(=O)c2c(F)cccc2o1
Show InChI InChI=1S/C15H8F2O2/c16-10-6-4-9(5-7-10)14-8-12(18)15-11(17)2-1-3-13(15)19-14/h1-8H
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n/an/a 190n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor LBD expressed in human MDA-kb2 cells by luciferase reporter gene assay


Bioorg Med Chem 21: 2968-74 (2013)


Article DOI: 10.1016/j.bmc.2013.03.060
BindingDB Entry DOI: 10.7270/Q2FT8NFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421434
PNG
(CHEMBL367194)
Show SMILES CC(C)([C@H](NC(=O)c1ccc(cc1)C(N)=N)c1ccc2ccccc2c1)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C30H34N4O4/c1-30(2,29(38)34-15-13-19(14-16-34)17-25(35)36)26(24-12-7-20-5-3-4-6-23(20)18-24)33-28(37)22-10-8-21(9-11-22)27(31)32/h3-12,18-19,26H,13-17H2,1-2H3,(H3,31,32)(H,33,37)(H,35,36)/t26-/m1/s1
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n/an/a 191n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50434570
PNG
(CHEMBL2386405)
Show SMILES Fc1ccc(cc1)-c1cc(=O)c2c(F)cccc2o1
Show InChI InChI=1S/C15H8F2O2/c16-10-6-4-9(5-7-10)14-8-12(18)15-11(17)2-1-3-13(15)19-14/h1-8H
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n/an/a 191n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor LBD expressed in human MDA-kb2 cells by luciferase reporter gene assay


Bioorg Med Chem 21: 2968-74 (2013)


Article DOI: 10.1016/j.bmc.2013.03.060
BindingDB Entry DOI: 10.7270/Q2FT8NFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50064936
PNG
(CHEMBL63360 | {1-[(E)-5-(4-Carbamimidoyl-phenyl)-2...)
Show SMILES CC(C)(\C=C\C(=O)c1ccc(cc1)C(N)=N)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C21H27N3O4/c1-21(2,20(28)24-11-8-14(9-12-24)13-18(26)27)10-7-17(25)15-3-5-16(6-4-15)19(22)23/h3-7,10,14H,8-9,11-13H2,1-2H3,(H3,22,23)(H,26,27)/b10-7+
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n/an/a 209n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421486
PNG
(CHEMBL67626)
Show SMILES COC(CCc1ccc(cc1)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C22H33N3O4/c1-22(2,21(28)25-12-10-16(11-13-25)14-19(26)27)18(29-3)9-6-15-4-7-17(8-5-15)20(23)24/h4-5,7-8,16,18H,6,9-14H2,1-3H3,(H3,23,24)(H,26,27)
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n/an/a 240n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50434569
PNG
(CHEMBL2386396)
Show SMILES Oc1cc(oc2cccc(=O)c12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H9NO3/c17-9-10-4-6-11(7-5-10)15-8-13(19)16-12(18)2-1-3-14(16)20-15/h1-8,19H
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n/an/a 250n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor LBD expressed in human MDA-kb2 cells by luciferase reporter gene assay


Bioorg Med Chem 21: 2968-74 (2013)


Article DOI: 10.1016/j.bmc.2013.03.060
BindingDB Entry DOI: 10.7270/Q2FT8NFN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50434569
PNG
(CHEMBL2386396)
Show SMILES Oc1cc(oc2cccc(=O)c12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H9NO3/c17-9-10-4-6-11(7-5-10)15-8-13(19)16-12(18)2-1-3-14(16)20-15/h1-8,19H
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n/an/a 251n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor LBD expressed in human MDA-kb2 cells by luciferase reporter gene assay


Bioorg Med Chem 21: 2968-74 (2013)


Article DOI: 10.1016/j.bmc.2013.03.060
BindingDB Entry DOI: 10.7270/Q2FT8NFN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50049385
PNG
(5-Hydroxy-2-phenyl-chromen-4-one | 5-Hydroxyflavon...)
Show SMILES Oc1cccc2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C15H10O3/c16-11-7-4-8-13-15(11)12(17)9-14(18-13)10-5-2-1-3-6-10/h1-9,16H
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n/an/a 300n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor in human MDA-kb2 cells assessed as inhibition of DHT-induced luciferase activity by luciferase reporter gene...


Bioorg Med Chem Lett 19: 4706-10 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.073
BindingDB Entry DOI: 10.7270/Q26T0MNQ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421479
PNG
(CHEMBL68449)
Show SMILES CC(C)(C(O)\C=C\c1ccc(cc1)C(N)=N)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C21H29N3O4/c1-21(2,20(28)24-11-9-15(10-12-24)13-18(26)27)17(25)8-5-14-3-6-16(7-4-14)19(22)23/h3-8,15,17,25H,9-13H2,1-2H3,(H3,22,23)(H,26,27)/b8-5+
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n/an/a 302n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Ecdysone receptor


(Drosophila melanogaster)
BDBM50414659
PNG
(CHEMBL564892)
Show SMILES CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H46O5/c1-15(2)6-9-24(31)27(5,32)23-8-7-17-16-12-20(28)19-13-21(29)22(30)14-26(19,4)18(16)10-11-25(17,23)3/h15-19,21-24,29-32H,6-14H2,1-5H3/t16-,17-,18-,19+,21-,22+,23-,24+,25-,26+,27+/m0/s1
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n/an/a 324n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Binding affinity to ecdysone receptor ligand binding domain in Drosophila melanogaster assessed as number of hydrogen bonds formed


Bioorg Med Chem 17: 5868-73 (2009)


Article DOI: 10.1016/j.bmc.2009.07.011
BindingDB Entry DOI: 10.7270/Q2H70H2S
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50434568
PNG
(CHEMBL2386393)
Show SMILES Oc1cccc2oc(cc(=O)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C15H9FO3/c16-10-6-4-9(5-7-10)14-8-12(18)15-11(17)2-1-3-13(15)19-14/h1-8,17H
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n/an/a 330n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor LBD expressed in human MDA-kb2 cells by luciferase reporter gene assay


Bioorg Med Chem 21: 2968-74 (2013)


Article DOI: 10.1016/j.bmc.2013.03.060
BindingDB Entry DOI: 10.7270/Q2FT8NFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421458
PNG
(CHEMBL353150)
Show SMILES CC(C)([C@H](NC(=O)c1ccc(cc1)C(N)=N)c1ccc(Cl)cc1)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C26H31ClN4O4/c1-26(2,25(35)31-13-11-16(12-14-31)15-21(32)33)22(17-7-9-20(27)10-8-17)30-24(34)19-5-3-18(4-6-19)23(28)29/h3-10,16,22H,11-15H2,1-2H3,(H3,28,29)(H,30,34)(H,32,33)/t22-/m1/s1
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n/an/a 331n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50434568
PNG
(CHEMBL2386393)
Show SMILES Oc1cccc2oc(cc(=O)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C15H9FO3/c16-10-6-4-9(5-7-10)14-8-12(18)15-11(17)2-1-3-13(15)19-14/h1-8,17H
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n/an/a 331n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor LBD expressed in human MDA-kb2 cells by luciferase reporter gene assay


Bioorg Med Chem 21: 2968-74 (2013)


Article DOI: 10.1016/j.bmc.2013.03.060
BindingDB Entry DOI: 10.7270/Q2FT8NFN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50434566
PNG
(CHEMBL2386404)
Show SMILES Fc1cccc2oc(cc(=O)c12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H8ClFO2/c16-10-6-4-9(5-7-10)14-8-12(18)15-11(17)2-1-3-13(15)19-14/h1-8H
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n/an/a 360n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor LBD expressed in human MDA-kb2 cells by luciferase reporter gene assay


Bioorg Med Chem 21: 2968-74 (2013)


Article DOI: 10.1016/j.bmc.2013.03.060
BindingDB Entry DOI: 10.7270/Q2FT8NFN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50434567
PNG
(CHEMBL2386395)
Show SMILES Oc1cc(oc2cccc(=O)c12)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C15H9NO5/c17-11-2-1-3-13-15(11)12(18)8-14(21-13)9-4-6-10(7-5-9)16(19)20/h1-8,18H
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n/an/a 360n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor LBD expressed in human MDA-kb2 cells by luciferase reporter gene assay


Bioorg Med Chem 21: 2968-74 (2013)


Article DOI: 10.1016/j.bmc.2013.03.060
BindingDB Entry DOI: 10.7270/Q2FT8NFN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421484
PNG
(CHEMBL68130)
Show SMILES CC(C)(C(OCc1ccccc1)\C=C\c1ccc(cc1)C(N)=N)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C28H35N3O4/c1-28(2,27(34)31-16-14-21(15-17-31)18-25(32)33)24(35-19-22-6-4-3-5-7-22)13-10-20-8-11-23(12-9-20)26(29)30/h3-13,21,24H,14-19H2,1-2H3,(H3,29,30)(H,32,33)/b13-10+
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n/an/a 363n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


Article DOI: 10.1016/s0960-894x(00)00113-x
BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50434566
PNG
(CHEMBL2386404)
Show SMILES Fc1cccc2oc(cc(=O)c12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H8ClFO2/c16-10-6-4-9(5-7-10)14-8-12(18)15-11(17)2-1-3-13(15)19-14/h1-8H
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n/an/a 363n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor LBD expressed in human MDA-kb2 cells by luciferase reporter gene assay


Bioorg Med Chem 21: 2968-74 (2013)


Article DOI: 10.1016/j.bmc.2013.03.060
BindingDB Entry DOI: 10.7270/Q2FT8NFN
More data for this
Ligand-Target Pair
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