Found 66 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Heparanase
(Homo sapiens (Human)) | BDBM50165669
((2-{4-[2-(3-Bromo-phenylcarbamoyl)-vinyl]-2-fluoro...)Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(\C=C\C(=O)Nc2cccc(Br)c2)cc1F Show InChI InChI=1S/C24H16BrFN2O4/c25-16-2-1-3-17(13-16)27-22(29)9-6-14-4-7-18(19(26)10-14)24-28-20-11-15(12-23(30)31)5-8-21(20)32-24/h1-11,13H,12H2,(H,27,29)(H,30,31)/b9-6+ | PDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165653
((2-{4-[2-(3,4-Dichloro-phenylcarbamoyl)-vinyl]-2-f...)Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(\C=C\C(=O)Nc2ccc(Cl)c(Cl)c2)cc1F Show InChI InChI=1S/C24H15Cl2FN2O4/c25-17-6-4-15(12-18(17)26)28-22(30)8-3-13-1-5-16(19(27)9-13)24-29-20-10-14(11-23(31)32)2-7-21(20)33-24/h1-10,12H,11H2,(H,28,30)(H,31,32)/b8-3+ | PDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165639
((2-{4-[2-(2,4-Dichloro-phenylcarbamoyl)-vinyl]-2-f...)Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(\C=C\C(=O)Nc2ccc(Cl)cc2Cl)cc1F Show InChI InChI=1S/C24H15Cl2FN2O4/c25-15-4-6-19(17(26)12-15)28-22(30)8-3-13-1-5-16(18(27)9-13)24-29-20-10-14(11-23(31)32)2-7-21(20)33-24/h1-10,12H,11H2,(H,28,30)(H,31,32)/b8-3+ | PDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165660
(2-(3-(5-(4-chlorophenyl)benzo[d]oxazol-2-yl)-4-(pr...)Show SMILES CCCNc1ccc(cc1-c1nc2cc(ccc2o1)-c1ccc(Cl)cc1)N1C(=O)c2ccc(cc2C1=O)C(O)=O Show InChI InChI=1S/C31H22ClN3O5/c1-2-13-33-25-11-9-21(35-29(36)22-10-5-19(31(38)39)14-23(22)30(35)37)16-24(25)28-34-26-15-18(6-12-27(26)40-28)17-3-7-20(32)8-4-17/h3-12,14-16,33H,2,13H2,1H3,(H,38,39) | PDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165638
((2-{4-[2-(4-Cyano-phenylcarbamoyl)-vinyl]-2-fluoro...)Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(\C=C\C(=O)Nc2ccc(cc2)C#N)cc1F Show InChI InChI=1S/C25H16FN3O4/c26-20-11-15(5-10-23(30)28-18-6-1-16(14-27)2-7-18)3-8-19(20)25-29-21-12-17(13-24(31)32)4-9-22(21)33-25/h1-12H,13H2,(H,28,30)(H,31,32)/b10-5+ | PDB
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Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165627
((2-{4-[2-(3-Fluoro-4-methoxy-phenylcarbamoyl)-viny...)Show SMILES COc1ccc(NC(=O)\C=C\c2ccc(cc2)-c2nc3cc(CC(O)=O)ccc3o2)cc1F Show InChI InChI=1S/C25H19FN2O5/c1-32-21-10-8-18(14-19(21)26)27-23(29)11-5-15-2-6-17(7-3-15)25-28-20-12-16(13-24(30)31)4-9-22(20)33-25/h2-12,14H,13H2,1H3,(H,27,29)(H,30,31)/b11-5+ | PDB
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Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165614
((2-{4-[3-((E)-3-Chloro-2-fluoro-phenyl)-acryloylam...)Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)\C=C\c2cccc(Cl)c2F)c(F)c1 Show InChI InChI=1S/C24H15ClF2N2O4/c25-16-3-1-2-14(23(16)27)6-9-21(30)28-18-7-5-15(12-17(18)26)24-29-19-10-13(11-22(31)32)4-8-20(19)33-24/h1-10,12H,11H2,(H,28,30)(H,31,32)/b9-6+ | PDB
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Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165640
(2-(4-(5-(2-chloro-4-(3-(2,4-dichlorophenyl)acrylam...)Show SMILES OC(=O)Cc1nc(cs1)-c1ccc(o1)-c1ccc(NC(=O)\C=C\c2ccc(Cl)cc2Cl)cc1Cl Show InChI InChI=1S/C24H15Cl3N2O4S/c25-14-3-1-13(17(26)9-14)2-8-22(30)28-15-4-5-16(18(27)10-15)20-6-7-21(33-20)19-12-34-23(29-19)11-24(31)32/h1-10,12H,11H2,(H,28,30)(H,31,32)/b8-2+ | PDB
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Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165621
((2-{2-Chloro-4-[3-((E)-2,4-dichloro-phenyl)-acrylo...)Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)\C=C\c2ccc(Cl)cc2Cl)cc1Cl Show InChI InChI=1S/C24H15Cl3N2O4/c25-15-4-2-14(18(26)11-15)3-8-22(30)28-16-5-6-17(19(27)12-16)24-29-20-9-13(10-23(31)32)1-7-21(20)33-24/h1-9,11-12H,10H2,(H,28,30)(H,31,32)/b8-3+ | PDB
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| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165624
((2-{4-[3-((E)-2,4-Dichloro-phenyl)-acryloylamino]-...)Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)\C=C\c2ccc(Cl)cc2Cl)c(F)c1 Show InChI InChI=1S/C24H15Cl2FN2O4/c25-16-5-2-14(17(26)12-16)4-8-22(30)28-19-6-3-15(11-18(19)27)24-29-20-9-13(10-23(31)32)1-7-21(20)33-24/h1-9,11-12H,10H2,(H,28,30)(H,31,32)/b8-4+ | PDB
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| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165663
((2-{4-[2-(4-Bromo-phenylcarbamoyl)-vinyl]-2-fluoro...)Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(\C=C\C(=O)Nc2ccc(Br)cc2)cc1F Show InChI InChI=1S/C24H16BrFN2O4/c25-16-4-6-17(7-5-16)27-22(29)10-3-14-1-8-18(19(26)11-14)24-28-20-12-15(13-23(30)31)2-9-21(20)32-24/h1-12H,13H2,(H,27,29)(H,30,31)/b10-3+ | PDB
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Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165652
((2-{4-[3-((E)-4-Bromo-phenyl)-acryloylamino]-3-flu...)Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)\C=C\c2ccc(Br)cc2)c(F)c1 Show InChI InChI=1S/C24H16BrFN2O4/c25-17-6-1-14(2-7-17)4-10-22(29)27-19-8-5-16(13-18(19)26)24-28-20-11-15(12-23(30)31)3-9-21(20)32-24/h1-11,13H,12H2,(H,27,29)(H,30,31)/b10-4+ | PDB
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| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165615
((2-{4-[2-(2,4-Dichloro-phenylcarbamoyl)-vinyl]-phe...)Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(\C=C\C(=O)Nc2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C24H16Cl2N2O4/c25-17-7-8-19(18(26)13-17)27-22(29)10-4-14-1-5-16(6-2-14)24-28-20-11-15(12-23(30)31)3-9-21(20)32-24/h1-11,13H,12H2,(H,27,29)(H,30,31)/b10-4+ | PDB
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| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165636
(2-(4-(5-(4-(3-(4-bromophenyl)acrylamido)-2-chlorop...)Show SMILES OC(=O)Cc1nc(cs1)-c1ccc(o1)-c1ccc(NC(=O)\C=C\c2ccc(Br)cc2)cc1Cl Show InChI InChI=1S/C24H16BrClN2O4S/c25-15-4-1-14(2-5-15)3-10-22(29)27-16-6-7-17(18(26)11-16)20-8-9-21(32-20)19-13-33-23(28-19)12-24(30)31/h1-11,13H,12H2,(H,27,29)(H,30,31)/b10-3+ | PDB
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Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165613
((2-{4-[3-((E)-4-Bromo-phenyl)-acryloylamino]-2-chl...)Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)\C=C\c2ccc(Br)cc2)cc1Cl Show InChI InChI=1S/C24H16BrClN2O4/c25-16-5-1-14(2-6-16)4-10-22(29)27-17-7-8-18(19(26)13-17)24-28-20-11-15(12-23(30)31)3-9-21(20)32-24/h1-11,13H,12H2,(H,27,29)(H,30,31)/b10-4+ | PDB
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| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165620
(2-(4-(5-(2-chloro-4-(3-(4-methoxyphenyl)acrylamido...)Show SMILES COc1ccc(\C=C\C(=O)Nc2ccc(-c3ccc(o3)-c3csc(CC(O)=O)n3)c(Cl)c2)cc1 Show InChI InChI=1S/C25H19ClN2O5S/c1-32-17-6-2-15(3-7-17)4-11-23(29)27-16-5-8-18(19(26)12-16)21-9-10-22(33-21)20-14-34-24(28-20)13-25(30)31/h2-12,14H,13H2,1H3,(H,27,29)(H,30,31)/b11-4+ | PDB
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| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165643
((2-{2-Fluoro-4-[2-(2-fluoro-4-methoxy-phenylcarbam...)Show SMILES COc1ccc(NC(=O)\C=C\c2ccc(-c3nc4cc(CC(O)=O)ccc4o3)c(F)c2)c(F)c1 Show InChI InChI=1S/C25H18F2N2O5/c1-33-16-5-7-20(19(27)13-16)28-23(30)9-4-14-2-6-17(18(26)10-14)25-29-21-11-15(12-24(31)32)3-8-22(21)34-25/h2-11,13H,12H2,1H3,(H,28,30)(H,31,32)/b9-4+ | PDB
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| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165642
((4-{5-[2-Chloro-4-(3-phenyl-acryloylamino)-phenyl]...)Show SMILES OC(=O)Cc1nc(cs1)-c1ccc(o1)-c1ccc(NC(=O)\C=C\c2ccccc2)cc1Cl Show InChI InChI=1S/C24H17ClN2O4S/c25-18-12-16(26-22(28)11-6-15-4-2-1-3-5-15)7-8-17(18)20-9-10-21(31-20)19-14-32-23(27-19)13-24(29)30/h1-12,14H,13H2,(H,26,28)(H,29,30)/b11-6+ | PDB
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| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165659
((2-{4-[2-(3-Bromo-phenylcarbamoyl)-vinyl]-phenyl}-...)Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(\C=C\C(=O)Nc2cccc(Br)c2)cc1 Show InChI InChI=1S/C24H17BrN2O4/c25-18-2-1-3-19(14-18)26-22(28)11-7-15-4-8-17(9-5-15)24-27-20-12-16(13-23(29)30)6-10-21(20)31-24/h1-12,14H,13H2,(H,26,28)(H,29,30)/b11-7+ | PDB
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| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165657
(2-(4-(5-(2-chloro-4-(3-(4-(trifluoromethoxy)phenyl...)Show SMILES OC(=O)Cc1nc(cs1)-c1ccc(o1)-c1ccc(NC(=O)\C=C\c2ccc(OC(F)(F)F)cc2)cc1Cl Show InChI InChI=1S/C25H16ClF3N2O5S/c26-18-11-15(30-22(32)10-3-14-1-5-16(6-2-14)36-25(27,28)29)4-7-17(18)20-8-9-21(35-20)19-13-37-23(31-19)12-24(33)34/h1-11,13H,12H2,(H,30,32)(H,33,34)/b10-3+ | PDB
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| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165612
((2-{4-[3-((E)-4-Bromo-phenyl)-acryloylamino]-pheny...)Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)\C=C\c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C24H17BrN2O4/c25-18-7-1-15(2-8-18)4-12-22(28)26-19-9-5-17(6-10-19)24-27-20-13-16(14-23(29)30)3-11-21(20)31-24/h1-13H,14H2,(H,26,28)(H,29,30)/b12-4+ | PDB
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| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165623
((2-{4-[3-((E)-3-Chloro-phenyl)-acryloylamino]-3-fl...)Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)\C=C\c2cccc(Cl)c2)c(F)c1 Show InChI InChI=1S/C24H16ClFN2O4/c25-17-3-1-2-14(10-17)5-9-22(29)27-19-7-6-16(13-18(19)26)24-28-20-11-15(12-23(30)31)4-8-21(20)32-24/h1-11,13H,12H2,(H,27,29)(H,30,31)/b9-5+ | PDB
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| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165634
((2-{4-[2-(4-Bromo-phenylcarbamoyl)-vinyl]-phenyl}-...)Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(\C=C\C(=O)Nc2ccc(Br)cc2)cc1 Show InChI InChI=1S/C24H17BrN2O4/c25-18-7-9-19(10-8-18)26-22(28)12-4-15-1-5-17(6-2-15)24-27-20-13-16(14-23(29)30)3-11-21(20)31-24/h1-13H,14H2,(H,26,28)(H,29,30)/b12-4+ | PDB
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| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165629
((2-{4-[2-(2,4-Difluoro-phenylcarbamoyl)-vinyl]-2-f...)Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(\C=C\C(=O)Nc2ccc(F)cc2F)cc1F Show InChI InChI=1S/C24H15F3N2O4/c25-15-4-6-19(18(27)12-15)28-22(30)8-3-13-1-5-16(17(26)9-13)24-29-20-10-14(11-23(31)32)2-7-21(20)33-24/h1-10,12H,11H2,(H,28,30)(H,31,32)/b8-3+ | PDB
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| n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165662
((2-{4-[3-((E)-3-Chloro-4-fluoro-phenyl)-acryloylam...)Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)\C=C\c2ccc(F)c(Cl)c2)c(F)c1 Show InChI InChI=1S/C24H15ClF2N2O4/c25-16-9-13(1-5-17(16)26)3-8-22(30)28-19-6-4-15(12-18(19)27)24-29-20-10-14(11-23(31)32)2-7-21(20)33-24/h1-10,12H,11H2,(H,28,30)(H,31,32)/b8-3+ | PDB
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| n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165619
((2-{4-[3-((E)-3-Bromo-phenyl)-acryloylamino]-pheny...)Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)\C=C\c2cccc(Br)c2)cc1 Show InChI InChI=1S/C24H17BrN2O4/c25-18-3-1-2-15(12-18)5-11-22(28)26-19-8-6-17(7-9-19)24-27-20-13-16(14-23(29)30)4-10-21(20)31-24/h1-13H,14H2,(H,26,28)(H,29,30)/b11-5+ | PDB
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| n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165607
((2-{4-[3-((E)-3-Bromo-phenyl)-acryloylamino]-2-chl...)Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)\C=C\c2cccc(Br)c2)cc1Cl Show InChI InChI=1S/C24H16BrClN2O4/c25-16-3-1-2-14(10-16)5-9-22(29)27-17-6-7-18(19(26)13-17)24-28-20-11-15(12-23(30)31)4-8-21(20)32-24/h1-11,13H,12H2,(H,27,29)(H,30,31)/b9-5+ | PDB
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| n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165665
((2-{4-[3-((E)-4-Cyano-phenyl)-acryloylamino]-3-flu...)Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)\C=C\c2ccc(cc2)C#N)c(F)c1 Show InChI InChI=1S/C25H16FN3O4/c26-19-13-18(25-29-21-11-17(12-24(31)32)5-9-22(21)33-25)7-8-20(19)28-23(30)10-6-15-1-3-16(14-27)4-2-15/h1-11,13H,12H2,(H,28,30)(H,31,32)/b10-6+ | PDB
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| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165633
((2-{4-[3-((E)-3-Bromo-phenyl)-acryloylamino]-3-flu...)Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)\C=C\c2cccc(Br)c2)c(F)c1 Show InChI InChI=1S/C24H16BrFN2O4/c25-17-3-1-2-14(10-17)5-9-22(29)27-19-7-6-16(13-18(19)26)24-28-20-11-15(12-23(30)31)4-8-21(20)32-24/h1-11,13H,12H2,(H,27,29)(H,30,31)/b9-5+ | PDB
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| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165667
((2-{4-[3-((E)-3,4-Dichloro-phenyl)-acryloylamino]-...)Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)\C=C\c2ccc(Cl)c(Cl)c2)c(F)c1 Show InChI InChI=1S/C24H15Cl2FN2O4/c25-16-5-1-13(9-17(16)26)3-8-22(30)28-19-6-4-15(12-18(19)27)24-29-20-10-14(11-23(31)32)2-7-21(20)33-24/h1-10,12H,11H2,(H,28,30)(H,31,32)/b8-3+ | PDB
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| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165641
((4-{5-[2-Chloro-4-(3,4-dichloro-benzoylamino)-phen...)Show SMILES OC(=O)Cc1nc(cs1)-c1ccc(o1)-c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1Cl Show InChI InChI=1S/C22H13Cl3N2O4S/c23-14-4-1-11(7-16(14)25)22(30)26-12-2-3-13(15(24)8-12)18-5-6-19(31-18)17-10-32-20(27-17)9-21(28)29/h1-8,10H,9H2,(H,26,30)(H,28,29) | PDB
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| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165668
((2-{4-[2-(4-Difluoromethoxy-phenylcarbamoyl)-vinyl...)Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(\C=C\C(=O)Nc2ccc(OC(F)F)cc2)cc1 Show InChI InChI=1S/C25H18F2N2O5/c26-25(27)33-19-9-7-18(8-10-19)28-22(30)12-4-15-1-5-17(6-2-15)24-29-20-13-16(14-23(31)32)3-11-21(20)34-24/h1-13,25H,14H2,(H,28,30)(H,31,32)/b12-4+ | PDB
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| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165635
((4-{5-[2-Chloro-4-(4-trifluoromethoxy-benzoylamino...)Show SMILES OC(=O)Cc1nc(cs1)-c1ccc(o1)-c1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1Cl Show InChI InChI=1S/C23H14ClF3N2O5S/c24-16-9-13(28-22(32)12-1-4-14(5-2-12)34-23(25,26)27)3-6-15(16)18-7-8-19(33-18)17-11-35-20(29-17)10-21(30)31/h1-9,11H,10H2,(H,28,32)(H,30,31) | PDB
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| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165626
((2-{3-Fluoro-4-[3-((E)-4-trifluoromethyl-phenyl)-a...)Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)\C=C\c2ccc(cc2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C25H16F4N2O4/c26-18-13-16(24-31-20-11-15(12-23(33)34)3-9-21(20)35-24)5-8-19(18)30-22(32)10-4-14-1-6-17(7-2-14)25(27,28)29/h1-11,13H,12H2,(H,30,32)(H,33,34)/b10-4+ | PDB
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| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165609
((4-{5-[2-Chloro-4-(4-chloro-benzoylamino)-phenyl]-...)Show SMILES OC(=O)Cc1nc(cs1)-c1ccc(o1)-c1ccc(NC(=O)c2ccc(Cl)cc2)cc1Cl Show InChI InChI=1S/C22H14Cl2N2O4S/c23-13-3-1-12(2-4-13)22(29)25-14-5-6-15(16(24)9-14)18-7-8-19(30-18)17-11-31-20(26-17)10-21(27)28/h1-9,11H,10H2,(H,25,29)(H,27,28) | PDB
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| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165649
((2-{4-[3-((E)-2-Chloro-phenyl)-acryloylamino]-3-fl...)Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)\C=C\c2ccccc2Cl)c(F)c1 Show InChI InChI=1S/C24H16ClFN2O4/c25-17-4-2-1-3-15(17)7-10-22(29)27-19-8-6-16(13-18(19)26)24-28-20-11-14(12-23(30)31)5-9-21(20)32-24/h1-11,13H,12H2,(H,27,29)(H,30,31)/b10-7+ | PDB
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| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165617
((2-{4-[3-((E)-4-Fluoro-phenyl)-acryloylamino]-phen...)Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)\C=C\c2ccc(F)cc2)cc1 Show InChI InChI=1S/C24H17FN2O4/c25-18-7-1-15(2-8-18)4-12-22(28)26-19-9-5-17(6-10-19)24-27-20-13-16(14-23(29)30)3-11-21(20)31-24/h1-13H,14H2,(H,26,28)(H,29,30)/b12-4+ | PDB
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PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165646
((2-{2-Chloro-4-[3-((E)-3-methoxy-phenyl)-acryloyla...)Show SMILES COc1cccc(\C=C\C(=O)Nc2ccc(-c3nc4cc(CC(O)=O)ccc4o3)c(Cl)c2)c1 Show InChI InChI=1S/C25H19ClN2O5/c1-32-18-4-2-3-15(11-18)6-10-23(29)27-17-7-8-19(20(26)14-17)25-28-21-12-16(13-24(30)31)5-9-22(21)33-25/h2-12,14H,13H2,1H3,(H,27,29)(H,30,31)/b10-6+ | PDB
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| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165664
((2-{4-[3-((E)-3-Methoxy-phenyl)-acryloylamino]-phe...)Show SMILES COc1cccc(\C=C\C(=O)Nc2ccc(cc2)-c2nc3cc(CC(O)=O)ccc3o2)c1 Show InChI InChI=1S/C25H20N2O5/c1-31-20-4-2-3-16(13-20)6-12-23(28)26-19-9-7-18(8-10-19)25-27-21-14-17(15-24(29)30)5-11-22(21)32-25/h2-14H,15H2,1H3,(H,26,28)(H,29,30)/b12-6+ | PDB
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| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165616
((2-{4-[2-(4-Fluoro-phenylcarbamoyl)-vinyl]-phenyl}...)Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(\C=C\C(=O)Nc2ccc(F)cc2)cc1 Show InChI InChI=1S/C24H17FN2O4/c25-18-7-9-19(10-8-18)26-22(28)12-4-15-1-5-17(6-2-15)24-27-20-13-16(14-23(29)30)3-11-21(20)31-24/h1-13H,14H2,(H,26,28)(H,29,30)/b12-4+ | PDB
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| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165632
((2-{4-[3-((E)-4-Chloro-phenyl)-acryloylamino]-3-fl...)Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)\C=C\c2ccc(Cl)cc2)c(F)c1 Show InChI InChI=1S/C24H16ClFN2O4/c25-17-6-1-14(2-7-17)4-10-22(29)27-19-8-5-16(13-18(19)26)24-28-20-11-15(12-23(30)31)3-9-21(20)32-24/h1-11,13H,12H2,(H,27,29)(H,30,31)/b10-4+ | PDB
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| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165650
((2-{4-[2-(4-Bromo-phenyl)-acetylamino]-2-chloro-ph...)Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)Cc2ccc(Br)cc2)cc1Cl Show InChI InChI=1S/C23H16BrClN2O4/c24-15-4-1-13(2-5-15)10-21(28)26-16-6-7-17(18(25)12-16)23-27-19-9-14(11-22(29)30)3-8-20(19)31-23/h1-9,12H,10-11H2,(H,26,28)(H,29,30) | PDB
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| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165656
((2-{4-[2-(3-Methoxy-phenylcarbamoyl)-vinyl]-phenyl...)Show SMILES COc1cccc(NC(=O)\C=C\c2ccc(cc2)-c2nc3cc(CC(O)=O)ccc3o2)c1 Show InChI InChI=1S/C25H20N2O5/c1-31-20-4-2-3-19(15-20)26-23(28)12-8-16-5-9-18(10-6-16)25-27-21-13-17(14-24(29)30)7-11-22(21)32-25/h2-13,15H,14H2,1H3,(H,26,28)(H,29,30)/b12-8+ | PDB
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| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165637
((2-{3-Fluoro-4-[3-((E)-4-methoxy-phenyl)-acryloyla...)Show SMILES COc1ccc(\C=C\C(=O)Nc2ccc(cc2F)-c2nc3cc(CC(O)=O)ccc3o2)cc1 Show InChI InChI=1S/C25H19FN2O5/c1-32-18-7-2-15(3-8-18)5-11-23(29)27-20-9-6-17(14-19(20)26)25-28-21-12-16(13-24(30)31)4-10-22(21)33-25/h2-12,14H,13H2,1H3,(H,27,29)(H,30,31)/b11-5+ | PDB
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| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165644
((2-{4-[2-(4-Methoxy-phenylcarbamoyl)-vinyl]-phenyl...)Show SMILES COc1ccc(NC(=O)\C=C\c2ccc(cc2)-c2nc3cc(CC(O)=O)ccc3o2)cc1 Show InChI InChI=1S/C25H20N2O5/c1-31-20-10-8-19(9-11-20)26-23(28)13-5-16-2-6-18(7-3-16)25-27-21-14-17(15-24(29)30)4-12-22(21)32-25/h2-14H,15H2,1H3,(H,26,28)(H,29,30)/b13-5+ | PDB
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| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165645
((2-{4-[3-((E)-Phenyl)-acryloylamino]-phenyl}-benzo...)Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)\C=C\c2ccccc2)cc1 Show InChI InChI=1S/C24H18N2O4/c27-22(13-7-16-4-2-1-3-5-16)25-19-10-8-18(9-11-19)24-26-20-14-17(15-23(28)29)6-12-21(20)30-24/h1-14H,15H2,(H,25,27)(H,28,29)/b13-7+ | PDB
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| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165666
((2-{4-[2-(2-Chloro-phenylcarbamoyl)-vinyl]-phenyl}...)Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(\C=C\C(=O)Nc2ccccc2Cl)cc1 Show InChI InChI=1S/C24H17ClN2O4/c25-18-3-1-2-4-19(18)26-22(28)12-8-15-5-9-17(10-6-15)24-27-20-13-16(14-23(29)30)7-11-21(20)31-24/h1-13H,14H2,(H,26,28)(H,29,30)/b12-8+ | PDB
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| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165648
((2-{4-[2-(3-Chloro-4-methoxy-phenylcarbamoyl)-viny...)Show SMILES COc1ccc(NC(=O)\C=C\c2ccc(cc2)-c2nc3cc(CC(O)=O)ccc3o2)cc1Cl Show InChI InChI=1S/C25H19ClN2O5/c1-32-21-10-8-18(14-19(21)26)27-23(29)11-5-15-2-6-17(7-3-15)25-28-20-12-16(13-24(30)31)4-9-22(20)33-25/h2-12,14H,13H2,1H3,(H,27,29)(H,30,31)/b11-5+ | PDB
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| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165647
((2-{3-Fluoro-4-[3-((E)-4-fluoro-phenyl)-acryloylam...)Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)\C=C\c2ccc(F)cc2)c(F)c1 Show InChI InChI=1S/C24H16F2N2O4/c25-17-6-1-14(2-7-17)4-10-22(29)27-19-8-5-16(13-18(19)26)24-28-20-11-15(12-23(30)31)3-9-21(20)32-24/h1-11,13H,12H2,(H,27,29)(H,30,31)/b10-4+ | PDB
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| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165661
((2-{4-[3-((E)-4-Methoxy-phenyl)-acryloylamino]-phe...)Show SMILES COc1ccc(\C=C\C(=O)Nc2ccc(cc2)-c2nc3cc(CC(O)=O)ccc3o2)cc1 Show InChI InChI=1S/C25H20N2O5/c1-31-20-10-2-16(3-11-20)5-13-23(28)26-19-8-6-18(7-9-19)25-27-21-14-17(15-24(29)30)4-12-22(21)32-25/h2-14H,15H2,1H3,(H,26,28)(H,29,30)/b13-5+ | PDB
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| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165618
((4-{5-[2-Chloro-4-(4-trifluoromethyl-benzoylamino)...)Show SMILES OC(=O)Cc1nc(cs1)-c1ccc(o1)-c1ccc(NC(=O)c2ccc(cc2)C(F)(F)F)cc1Cl Show InChI InChI=1S/C23H14ClF3N2O4S/c24-16-9-14(28-22(32)12-1-3-13(4-2-12)23(25,26)27)5-6-15(16)18-7-8-19(33-18)17-11-34-20(29-17)10-21(30)31/h1-9,11H,10H2,(H,28,32)(H,30,31) | PDB
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| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165610
((4-{5-[2-Chloro-4-(2,4-dichloro-benzoylamino)-phen...)Show SMILES OC(=O)Cc1nc(cs1)-c1ccc(o1)-c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1Cl Show InChI InChI=1S/C22H13Cl3N2O4S/c23-11-1-3-14(15(24)7-11)22(30)26-12-2-4-13(16(25)8-12)18-5-6-19(31-18)17-10-32-20(27-17)9-21(28)29/h1-8,10H,9H2,(H,26,30)(H,28,29) | PDB
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| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165628
((4-{5-[2-Chloro-4-(3-cyano-benzoylamino)-phenyl]-f...)Show SMILES OC(=O)Cc1nc(cs1)-c1ccc(o1)-c1ccc(NC(=O)c2cccc(c2)C#N)cc1Cl Show InChI InChI=1S/C23H14ClN3O4S/c24-17-9-15(26-23(30)14-3-1-2-13(8-14)11-25)4-5-16(17)19-6-7-20(31-19)18-12-32-21(27-18)10-22(28)29/h1-9,12H,10H2,(H,26,30)(H,28,29) | PDB
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| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165606
((2-{4-[3-(4-Bromo-phenyl)-propionylamino]-2-chloro...)Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)CCc2ccc(Br)cc2)cc1Cl Show InChI InChI=1S/C24H18BrClN2O4/c25-16-5-1-14(2-6-16)4-10-22(29)27-17-7-8-18(19(26)13-17)24-28-20-11-15(12-23(30)31)3-9-21(20)32-24/h1-3,5-9,11,13H,4,10,12H2,(H,27,29)(H,30,31) | PDB
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| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165651
((2-{3-Fluoro-4-[3-((E)-phenyl)-acryloylamino]-phen...)Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)\C=C\c2ccccc2)c(F)c1 Show InChI InChI=1S/C24H17FN2O4/c25-18-14-17(24-27-20-12-16(13-23(29)30)6-10-21(20)31-24)8-9-19(18)26-22(28)11-7-15-4-2-1-3-5-15/h1-12,14H,13H2,(H,26,28)(H,29,30)/b11-7+ | PDB
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| n/a | n/a | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165611
((4-{5-[2-Chloro-4-(4-methoxy-benzoylamino)-phenyl]...)Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(-c2ccc(o2)-c2csc(CC(O)=O)n2)c(Cl)c1 Show InChI InChI=1S/C23H17ClN2O5S/c1-30-15-5-2-13(3-6-15)23(29)25-14-4-7-16(17(24)10-14)19-8-9-20(31-19)18-12-32-21(26-18)11-22(27)28/h2-10,12H,11H2,1H3,(H,25,29)(H,27,28) | PDB
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| Article
PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165631
((2-{4-[2-(2-Difluoromethoxy-phenylcarbamoyl)-vinyl...)Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(\C=C\C(=O)Nc2ccccc2OC(F)F)cc1 Show InChI InChI=1S/C25H18F2N2O5/c26-25(27)34-20-4-2-1-3-18(20)28-22(30)12-8-15-5-9-17(10-6-15)24-29-19-13-16(14-23(31)32)7-11-21(19)33-24/h1-13,25H,14H2,(H,28,30)(H,31,32)/b12-8+ | PDB
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| Article
PubMed
| n/a | n/a | 8.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165625
((2-{5-[3-((E)-4-Bromo-phenyl)-acryloylamino]-2-chl...)Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1cc(NC(=O)\C=C\c2ccc(Br)cc2)ccc1Cl Show InChI InChI=1S/C24H16BrClN2O4/c25-16-5-1-14(2-6-16)4-10-22(29)27-17-7-8-19(26)18(13-17)24-28-20-11-15(12-23(30)31)3-9-21(20)32-24/h1-11,13H,12H2,(H,27,29)(H,30,31)/b10-4+ | PDB
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PubMed
| n/a | n/a | 8.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165630
(CHEMBL197098 | {2-[4-(4-Bromo-benzoylamino)-2-chlo...)Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)c2ccc(Br)cc2)cc1Cl Show InChI InChI=1S/C22H14BrClN2O4/c23-14-4-2-13(3-5-14)21(29)25-15-6-7-16(17(24)11-15)22-26-18-9-12(10-20(27)28)1-8-19(18)30-22/h1-9,11H,10H2,(H,25,29)(H,27,28) | PDB
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PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165655
((2-{4-[2-(2-Methoxy-phenylcarbamoyl)-vinyl]-phenyl...)Show SMILES COc1ccccc1NC(=O)\C=C\c1ccc(cc1)-c1nc2cc(CC(O)=O)ccc2o1 Show InChI InChI=1S/C25H20N2O5/c1-31-21-5-3-2-4-19(21)26-23(28)13-9-16-6-10-18(11-7-16)25-27-20-14-17(15-24(29)30)8-12-22(20)32-25/h2-14H,15H2,1H3,(H,26,28)(H,29,30)/b13-9+ | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165608
((2-{4-[2-(3,4-Dimethoxy-phenylcarbamoyl)-vinyl]-ph...)Show SMILES COc1ccc(NC(=O)\C=C\c2ccc(cc2)-c2nc3cc(CC(O)=O)ccc3o2)cc1OC Show InChI InChI=1S/C26H22N2O6/c1-32-22-11-9-19(15-23(22)33-2)27-24(29)12-6-16-3-7-18(8-4-16)26-28-20-13-17(14-25(30)31)5-10-21(20)34-26/h3-13,15H,14H2,1-2H3,(H,27,29)(H,30,31)/b12-6+ | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165658
(CHEMBL196827 | {4-[5-(2,4-Dichloro-phenyl)-furan-2...)Show InChI InChI=1S/C15H9Cl2NO3S/c16-8-1-2-9(10(17)5-8)12-3-4-13(21-12)11-7-22-14(18-11)6-15(19)20/h1-5,7H,6H2,(H,19,20) | PDB
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PubMed
| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165654
(CHEMBL194095 | {4-[5-(4-Benzoylamino-2-chloro-phen...)Show SMILES OC(=O)Cc1nc(cs1)-c1ccc(o1)-c1ccc(NC(=O)c2ccccc2)cc1Cl Show InChI InChI=1S/C22H15ClN2O4S/c23-16-10-14(24-22(28)13-4-2-1-3-5-13)6-7-15(16)18-8-9-19(29-18)17-12-30-20(25-17)11-21(26)27/h1-10,12H,11H2,(H,24,28)(H,26,27) | PDB
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50165652
((2-{4-[3-((E)-4-Bromo-phenyl)-acryloylamino]-3-flu...)Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)\C=C\c2ccc(Br)cc2)c(F)c1 Show InChI InChI=1S/C24H16BrFN2O4/c25-17-6-1-14(2-7-17)4-10-22(29)27-19-8-5-16(13-18(19)26)24-28-20-11-15(12-23(30)31)3-9-21(20)32-24/h1-11,13H,12H2,(H,27,29)(H,30,31)/b10-4+ | PDB
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Cytochrome P450 3A4 |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50165652
((2-{4-[3-((E)-4-Bromo-phenyl)-acryloylamino]-3-flu...)Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)\C=C\c2ccc(Br)cc2)c(F)c1 Show InChI InChI=1S/C24H16BrFN2O4/c25-17-6-1-14(2-7-17)4-10-22(29)27-19-8-5-16(13-18(19)26)24-28-20-11-15(12-23(30)31)3-9-21(20)32-24/h1-11,13H,12H2,(H,27,29)(H,30,31)/b10-4+ | PDB
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Reactome pathway
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| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against Cytochrome P450 2C9 |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50165622
((2-{2-Chloro-4-[3-((E)-phenyl)-acryloylamino]-phen...)Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)\C=C\c2ccccc2)cc1Cl Show InChI InChI=1S/C24H17ClN2O4/c25-19-14-17(26-22(28)11-7-15-4-2-1-3-5-15)8-9-18(19)24-27-20-12-16(13-23(29)30)6-10-21(20)31-24/h1-12,14H,13H2,(H,26,28)(H,29,30)/b11-7+ | PDB
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PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human Heparanase |
Bioorg Med Chem Lett 15: 2295-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G |
More data for this
Ligand-Target Pair | |
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