Found 81 hits with Last Name = 'hamadi' and Initial = 'a' 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 |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50187693
(CHEMBL3186509)Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCN(CCC(=O)c3ccc4[nH]c(=O)oc4c3)CC2)c1 Show InChI InChI=1S/C22H21Cl2N3O5/c23-16-9-14(10-17(24)12-16)13-31-22(30)27-7-5-26(6-8-27)4-3-19(28)15-1-2-18-20(11-15)32-21(29)25-18/h1-2,9-12H,3-8,13H2,(H,25,29) | PDB
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B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of ATX (unknown origin) assessed as decrease in choline release |
Bioorg Med Chem Lett 28: 2279-2284 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.030 BindingDB Entry DOI: 10.7270/Q2DB84DV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM241106
(US9409895, 17 | US9630945, 17)Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)c1 Show InChI InChI=1S/C19H23Cl2N5O3/c20-14-8-13(9-15(21)10-14)12-29-19(28)26-6-4-16(5-7-26)23-18(27)3-1-2-17-11-22-25-24-17/h8-11,16H,1-7,12H2,(H,23,27)(H,22,24,25) | PDB
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B.MOAD antibodypedia GoogleScholar AffyNet
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PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of ATX (unknown origin) assessed as decrease in choline release |
Bioorg Med Chem Lett 28: 2279-2284 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.030 BindingDB Entry DOI: 10.7270/Q2DB84DV |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM241109
(US9409895, 20 | US9630945, 20)Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CC2)NC(=O)CCCCc2c[nH]nn2)c1 Show InChI InChI=1S/C20H25Cl2N5O3/c21-15-9-14(10-16(22)11-15)13-30-20(29)27-7-5-17(6-8-27)24-19(28)4-2-1-3-18-12-23-26-25-18/h9-12,17H,1-8,13H2,(H,24,28)(H,23,25,26) | PDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of ATX (unknown origin) assessed as decrease in choline release |
Bioorg Med Chem Lett 28: 2279-2284 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.030 BindingDB Entry DOI: 10.7270/Q2DB84DV |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50274089
(CHEMBL4128124)Show SMILES Clc1cc(Cl)cc(COC(=O)N2CC(C2)N2CCN(CC2)C(=O)c2ccc3[nH]c(=O)oc3c2)c1 Show InChI InChI=1S/C23H22Cl2N4O5/c24-16-7-14(8-17(25)10-16)13-33-23(32)29-11-18(12-29)27-3-5-28(6-4-27)21(30)15-1-2-19-20(9-15)34-22(31)26-19/h1-2,7-10,18H,3-6,11-13H2,(H,26,31) | PDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of ATX (unknown origin) assessed as decrease in choline release |
Bioorg Med Chem Lett 28: 2279-2284 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.030 BindingDB Entry DOI: 10.7270/Q2DB84DV |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM241108
(US9409895, 19 | US9630945, 19)Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CC2)NC(=O)CCc2c[nH]nn2)c1 Show InChI InChI=1S/C18H21Cl2N5O3/c19-13-7-12(8-14(20)9-13)11-28-18(27)25-5-3-15(4-6-25)22-17(26)2-1-16-10-21-24-23-16/h7-10,15H,1-6,11H2,(H,22,26)(H,21,23,24) | PDB
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B.MOAD antibodypedia GoogleScholar AffyNet
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PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of ATX (unknown origin) assessed as decrease in choline release |
Bioorg Med Chem Lett 28: 2279-2284 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.030 BindingDB Entry DOI: 10.7270/Q2DB84DV |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM241133
(US9409895, 44 | US9630945, 44)Show SMILES Clc1cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)cc(c1)C#N Show InChI InChI=1S/C20H23ClN6O3/c21-16-9-14(11-22)8-15(10-16)13-30-20(29)27-6-4-17(5-7-27)24-19(28)3-1-2-18-12-23-26-25-18/h8-10,12,17H,1-7,13H2,(H,24,28)(H,23,25,26) | PDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of ATX (unknown origin) assessed as decrease in choline release |
Bioorg Med Chem Lett 28: 2279-2284 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.030 BindingDB Entry DOI: 10.7270/Q2DB84DV |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50274085
(CHEMBL4129507)Show SMILES OC1(CNC(=O)c2ccc3[nH]c(=O)oc3c2)CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C22H21Cl2N3O6/c23-15-7-13(8-16(24)10-15)11-32-21(30)27-5-3-22(31,4-6-27)12-25-19(28)14-1-2-17-18(9-14)33-20(29)26-17/h1-2,7-10,31H,3-6,11-12H2,(H,25,28)(H,26,29) | PDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of ATX (unknown origin) assessed as decrease in choline release |
Bioorg Med Chem Lett 28: 2279-2284 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.030 BindingDB Entry DOI: 10.7270/Q2DB84DV |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM241106
(US9409895, 17 | US9630945, 17)Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)c1 Show InChI InChI=1S/C19H23Cl2N5O3/c20-14-8-13(9-15(21)10-14)12-29-19(28)26-6-4-16(5-7-26)23-18(27)3-1-2-17-11-22-25-24-17/h8-11,16H,1-7,12H2,(H,23,27)(H,22,24,25) | PDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of ATX in human serum assessed as reduction in LPA 18:1 levels after 3 hrs by LC-MS/MS analysis |
Bioorg Med Chem Lett 28: 2279-2284 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.030 BindingDB Entry DOI: 10.7270/Q2DB84DV |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50274084
(CHEMBL4126051)Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCOC(CCNC(=O)c3ccc4[nH]c(=O)oc4c3)C2)c1 Show InChI InChI=1S/C22H21Cl2N3O6/c23-15-7-13(8-16(24)10-15)12-32-22(30)27-5-6-31-17(11-27)3-4-25-20(28)14-1-2-18-19(9-14)33-21(29)26-18/h1-2,7-10,17H,3-6,11-12H2,(H,25,28)(H,26,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of ATX (unknown origin) assessed as decrease in choline release |
Bioorg Med Chem Lett 28: 2279-2284 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.030 BindingDB Entry DOI: 10.7270/Q2DB84DV |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50274081
(CHEMBL4127145)Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(C2)N2CCN(CC2)C(=O)c2ccc3[nH]c(=O)oc3c2)c1 Show InChI InChI=1S/C24H24Cl2N4O5/c25-17-9-15(10-18(26)12-17)14-34-24(33)30-4-3-19(13-30)28-5-7-29(8-6-28)22(31)16-1-2-20-21(11-16)35-23(32)27-20/h1-2,9-12,19H,3-8,13-14H2,(H,27,32) | PDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of ATX (unknown origin) assessed as decrease in choline release |
Bioorg Med Chem Lett 28: 2279-2284 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.030 BindingDB Entry DOI: 10.7270/Q2DB84DV |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM241121
(US9409895, 32 | US9630945, 32)Show SMILES CN(CCC1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1)C(=O)c1c[nH]c(=O)o1 Show InChI InChI=1S/C20H23Cl2N3O5/c1-24(18(26)17-11-23-19(27)30-17)5-2-13-3-6-25(7-4-13)20(28)29-12-14-8-15(21)10-16(22)9-14/h8-11,13H,2-7,12H2,1H3,(H,23,27) | PDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of ATX (unknown origin) assessed as decrease in choline release |
Bioorg Med Chem Lett 28: 2279-2284 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.030 BindingDB Entry DOI: 10.7270/Q2DB84DV |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM241143
(US9409895, 53 | US9630945, 53)Show SMILES FC(F)(F)c1ccc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)cc1 Show InChI InChI=1S/C20H24F3N5O3/c21-20(22,23)15-6-4-14(5-7-15)13-31-19(30)28-10-8-16(9-11-28)25-18(29)3-1-2-17-12-24-27-26-17/h4-7,12,16H,1-3,8-11,13H2,(H,25,29)(H,24,26,27) | PDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of ATX (unknown origin) assessed as decrease in choline release |
Bioorg Med Chem Lett 28: 2279-2284 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.030 BindingDB Entry DOI: 10.7270/Q2DB84DV |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM241126
(US9409895, 37 | US9630945, 37)Show SMILES Fc1cc(Cl)cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)c1 Show InChI InChI=1S/C19H23ClFN5O3/c20-14-8-13(9-15(21)10-14)12-29-19(28)26-6-4-16(5-7-26)23-18(27)3-1-2-17-11-22-25-24-17/h8-11,16H,1-7,12H2,(H,23,27)(H,22,24,25) | PDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of ATX (unknown origin) assessed as decrease in choline release |
Bioorg Med Chem Lett 28: 2279-2284 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.030 BindingDB Entry DOI: 10.7270/Q2DB84DV |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM241110
(US9409895, 21 | US9630945, 21)Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CCNC(=O)c3c[nH]c(=O)o3)CC2)c1 Show InChI InChI=1S/C19H21Cl2N3O5/c20-14-7-13(8-15(21)9-14)11-28-19(27)24-5-2-12(3-6-24)1-4-22-17(25)16-10-23-18(26)29-16/h7-10,12H,1-6,11H2,(H,22,25)(H,23,26) | PDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of ATX (unknown origin) assessed as decrease in choline release |
Bioorg Med Chem Lett 28: 2279-2284 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.030 BindingDB Entry DOI: 10.7270/Q2DB84DV |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM241107
(US9409895, 18 | US9630945, 18)Show SMILES CN(C1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1)C(=O)CCCc1c[nH]nn1 Show InChI InChI=1S/C20H25Cl2N5O3/c1-26(19(28)4-2-3-17-12-23-25-24-17)18-5-7-27(8-6-18)20(29)30-13-14-9-15(21)11-16(22)10-14/h9-12,18H,2-8,13H2,1H3,(H,23,24,25) | PDB
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B.MOAD antibodypedia GoogleScholar AffyNet
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PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of ATX (unknown origin) assessed as decrease in choline release |
Bioorg Med Chem Lett 28: 2279-2284 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.030 BindingDB Entry DOI: 10.7270/Q2DB84DV |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM29411
(7-alkoxyisoquinoline, 21)Show InChI InChI=1S/C20H20N2O/c1-2-4-15(5-3-1)19-12-16-6-9-22-14-17(16)13-20(19)23-18-7-10-21-11-8-18/h1-6,9,12-14,18,21H,7-8,10-11H2 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
| Assay Description IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi... |
J Med Chem 52: 3098-102 (2009)
Article DOI: 10.1021/jm9000117 BindingDB Entry DOI: 10.7270/Q27H1GX7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM29407
(7-alkoxyisoquinoline, 17)Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc2ccncc2cc1OC1CCNCC1 Show InChI InChI=1S/C20H21N3O3S/c21-27(24,25)18-3-1-14(2-4-18)19-11-15-5-8-23-13-16(15)12-20(19)26-17-6-9-22-10-7-17/h1-5,8,11-13,17,22H,6-7,9-10H2,(H2,21,24,25) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
| Assay Description IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi... |
J Med Chem 52: 3098-102 (2009)
Article DOI: 10.1021/jm9000117 BindingDB Entry DOI: 10.7270/Q27H1GX7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM29410
(7-alkoxyisoquinoline, 20)Show InChI InChI=1S/C21H23N3O/c22-13-15-1-3-16(4-2-15)20-11-17-5-8-24-14-18(17)12-21(20)25-19-6-9-23-10-7-19/h1-5,8,11-12,14,19,23H,6-7,9-10,13,22H2 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 126 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
| Assay Description IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi... |
J Med Chem 52: 3098-102 (2009)
Article DOI: 10.1021/jm9000117 BindingDB Entry DOI: 10.7270/Q27H1GX7 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50274086
(CHEMBL4130315)Show SMILES O=C(OCc1ccccc1)N1CCN(CCC(=O)c2ccc3[nH]c(=O)oc3c2)CC1 Show InChI InChI=1S/C22H23N3O5/c26-19(17-6-7-18-20(14-17)30-21(27)23-18)8-9-24-10-12-25(13-11-24)22(28)29-15-16-4-2-1-3-5-16/h1-7,14H,8-13,15H2,(H,23,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of ATX (unknown origin) assessed as decrease in choline release |
Bioorg Med Chem Lett 28: 2279-2284 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.030 BindingDB Entry DOI: 10.7270/Q2DB84DV |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM241124
(US9409895, 35 | US9630945, 35)Show SMILES CN(CCC1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1)C(=O)c1c[nH]nn1 Show InChI InChI=1S/C19H23Cl2N5O3/c1-25(18(27)17-11-22-24-23-17)5-2-13-3-6-26(7-4-13)19(28)29-12-14-8-15(20)10-16(21)9-14/h8-11,13H,2-7,12H2,1H3,(H,22,23,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of ATX (unknown origin) assessed as decrease in choline release |
Bioorg Med Chem Lett 28: 2279-2284 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.030 BindingDB Entry DOI: 10.7270/Q2DB84DV |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM29423
(7-alkoxyisoquinoline, 33)Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc2ccncc2cc1OCC1CCCNC1 Show InChI InChI=1S/C21H23N3O3S/c22-28(25,26)19-5-3-16(4-6-19)20-10-17-7-9-24-13-18(17)11-21(20)27-14-15-2-1-8-23-12-15/h3-7,9-11,13,15,23H,1-2,8,12,14H2,(H2,22,25,26) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
| Assay Description IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi... |
J Med Chem 52: 3098-102 (2009)
Article DOI: 10.1021/jm9000117 BindingDB Entry DOI: 10.7270/Q27H1GX7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM29421
(7-alkoxyisoquinoline, 31)Show InChI InChI=1S/C21H22N2O/c1-2-6-17(7-3-1)20-11-18-8-10-23-14-19(18)12-21(20)24-15-16-5-4-9-22-13-16/h1-3,6-8,10-12,14,16,22H,4-5,9,13,15H2 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
| Assay Description IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi... |
J Med Chem 52: 3098-102 (2009)
Article DOI: 10.1021/jm9000117 BindingDB Entry DOI: 10.7270/Q27H1GX7 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50274087
(CHEMBL4129365)Show SMILES O=C(CCN1CCN(CC1)C(=O)OCC1CCCC1)c1ccc2[nH]c(=O)oc2c1 Show InChI InChI=1S/C21H27N3O5/c25-18(16-5-6-17-19(13-16)29-20(26)22-17)7-8-23-9-11-24(12-10-23)21(27)28-14-15-3-1-2-4-15/h5-6,13,15H,1-4,7-12,14H2,(H,22,26) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of ATX (unknown origin) assessed as decrease in choline release |
Bioorg Med Chem Lett 28: 2279-2284 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.030 BindingDB Entry DOI: 10.7270/Q2DB84DV |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM241148
(US9409895, 58 | US9630945, 58)Show SMILES Clc1ccc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)c(Cl)c1 Show InChI InChI=1S/C19H23Cl2N5O3/c20-14-5-4-13(17(21)10-14)12-29-19(28)26-8-6-15(7-9-26)23-18(27)3-1-2-16-11-22-25-24-16/h4-5,10-11,15H,1-3,6-9,12H2,(H,23,27)(H,22,24,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 206 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of ATX (unknown origin) assessed as decrease in choline release |
Bioorg Med Chem Lett 28: 2279-2284 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.030 BindingDB Entry DOI: 10.7270/Q2DB84DV |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50274088
(CHEMBL4127038)Show SMILES O=C(CCN1CCN(CC1)C(=O)OCC1CCCCC1)c1ccc2[nH]c(=O)oc2c1 Show InChI InChI=1S/C22H29N3O5/c26-19(17-6-7-18-20(14-17)30-21(27)23-18)8-9-24-10-12-25(13-11-24)22(28)29-15-16-4-2-1-3-5-16/h6-7,14,16H,1-5,8-13,15H2,(H,23,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of ATX (unknown origin) assessed as decrease in choline release |
Bioorg Med Chem Lett 28: 2279-2284 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.030 BindingDB Entry DOI: 10.7270/Q2DB84DV |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM241116
(US9409895, 27 | US9630945, 27)Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCN(CCNC(=O)c3c[nH]c(=O)o3)CC2)c1 Show InChI InChI=1S/C18H20Cl2N4O5/c19-13-7-12(8-14(20)9-13)11-28-18(27)24-5-3-23(4-6-24)2-1-21-16(25)15-10-22-17(26)29-15/h7-10H,1-6,11H2,(H,21,25)(H,22,26) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of ATX (unknown origin) assessed as decrease in choline release |
Bioorg Med Chem Lett 28: 2279-2284 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.030 BindingDB Entry DOI: 10.7270/Q2DB84DV |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM29412
(7-alkoxyisoquinoline, 22)Show InChI InChI=1S/C14H15BrN2O/c15-13-7-10-1-4-17-9-11(10)8-14(13)18-12-2-5-16-6-3-12/h1,4,7-9,12,16H,2-3,5-6H2 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 398 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
| Assay Description IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi... |
J Med Chem 52: 3098-102 (2009)
Article DOI: 10.1021/jm9000117 BindingDB Entry DOI: 10.7270/Q27H1GX7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM29408
(7-alkoxyisoquinoline, 18)Show SMILES NS(=O)(=O)Cc1ccc(cc1)-c1cc2ccncc2cc1OC1CCNCC1 Show InChI InChI=1S/C21H23N3O3S/c22-28(25,26)14-15-1-3-16(4-2-15)20-11-17-5-8-24-13-18(17)12-21(20)27-19-6-9-23-10-7-19/h1-5,8,11-13,19,23H,6-7,9-10,14H2,(H2,22,25,26) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 398 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
| Assay Description IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi... |
J Med Chem 52: 3098-102 (2009)
Article DOI: 10.1021/jm9000117 BindingDB Entry DOI: 10.7270/Q27H1GX7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM29420
(7-alkoxyisoquinoline, 30)Show InChI InChI=1S/C20H20N2O/c1-2-5-15(6-3-1)19-11-16-8-10-22-13-17(16)12-20(19)23-18-7-4-9-21-14-18/h1-3,5-6,8,10-13,18,21H,4,7,9,14H2 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 631 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
| Assay Description IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi... |
J Med Chem 52: 3098-102 (2009)
Article DOI: 10.1021/jm9000117 BindingDB Entry DOI: 10.7270/Q27H1GX7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM29425
(7-alkoxyisoquinoline, 35)Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc2ccncc2cc1OCC1CCNCC1 Show InChI InChI=1S/C21H23N3O3S/c22-28(25,26)19-3-1-16(2-4-19)20-11-17-7-10-24-13-18(17)12-21(20)27-14-15-5-8-23-9-6-15/h1-4,7,10-13,15,23H,5-6,8-9,14H2,(H2,22,25,26) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 631 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
| Assay Description IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi... |
J Med Chem 52: 3098-102 (2009)
Article DOI: 10.1021/jm9000117 BindingDB Entry DOI: 10.7270/Q27H1GX7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM29422
(7-alkoxyisoquinoline, 32)Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc2ccncc2cc1OC1CCCNC1 Show InChI InChI=1S/C20H21N3O3S/c21-27(24,25)18-5-3-14(4-6-18)19-10-15-7-9-23-12-16(15)11-20(19)26-17-2-1-8-22-13-17/h3-7,9-12,17,22H,1-2,8,13H2,(H2,21,24,25) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 794 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
| Assay Description IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi... |
J Med Chem 52: 3098-102 (2009)
Article DOI: 10.1021/jm9000117 BindingDB Entry DOI: 10.7270/Q27H1GX7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM29409
(7-alkoxyisoquinoline, 19)Show InChI InChI=1S/C21H23N3O/c22-13-15-2-1-3-17(10-15)20-11-16-4-7-24-14-18(16)12-21(20)25-19-5-8-23-9-6-19/h1-4,7,10-12,14,19,23H,5-6,8-9,13,22H2 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 794 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
| Assay Description IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi... |
J Med Chem 52: 3098-102 (2009)
Article DOI: 10.1021/jm9000117 BindingDB Entry DOI: 10.7270/Q27H1GX7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM29418
(7-alkoxyisoquinoline, 28)Show SMILES CCS(=O)(=O)N1CCC(CC1)Oc1cc2cnccc2cc1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C22H25N3O5S2/c1-2-31(26,27)25-11-8-19(9-12-25)30-22-14-18-15-24-10-7-17(18)13-21(22)16-3-5-20(6-4-16)32(23,28)29/h3-7,10,13-15,19H,2,8-9,11-12H2,1H3,(H2,23,28,29) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
| Assay Description IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi... |
J Med Chem 52: 3098-102 (2009)
Article DOI: 10.1021/jm9000117 BindingDB Entry DOI: 10.7270/Q27H1GX7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM29424
(7-alkoxyisoquinoline, 34)Show InChI InChI=1S/C21H22N2O/c1-2-4-17(5-3-1)20-12-18-8-11-23-14-19(18)13-21(20)24-15-16-6-9-22-10-7-16/h1-5,8,11-14,16,22H,6-7,9-10,15H2 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
| Assay Description IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi... |
J Med Chem 52: 3098-102 (2009)
Article DOI: 10.1021/jm9000117 BindingDB Entry DOI: 10.7270/Q27H1GX7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM29406
(7-alkoxyisoquinoline, 16)Show SMILES NS(=O)(=O)c1cccc(c1)-c1cc2ccncc2cc1OC1CCNCC1 Show InChI InChI=1S/C20H21N3O3S/c21-27(24,25)18-3-1-2-15(10-18)19-11-14-4-7-23-13-16(14)12-20(19)26-17-5-8-22-9-6-17/h1-4,7,10-13,17,22H,5-6,8-9H2,(H2,21,24,25) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
| Assay Description IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi... |
J Med Chem 52: 3098-102 (2009)
Article DOI: 10.1021/jm9000117 BindingDB Entry DOI: 10.7270/Q27H1GX7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM29416
(7-alkoxyisoquinoline, 26)Show SMILES CC(=O)N1CCC(CC1)Oc1cc2cnccc2cc1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C22H23N3O4S/c1-15(26)25-10-7-19(8-11-25)29-22-13-18-14-24-9-6-17(18)12-21(22)16-2-4-20(5-3-16)30(23,27)28/h2-6,9,12-14,19H,7-8,10-11H2,1H3,(H2,23,27,28) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
| Assay Description IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi... |
J Med Chem 52: 3098-102 (2009)
Article DOI: 10.1021/jm9000117 BindingDB Entry DOI: 10.7270/Q27H1GX7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM29426
(7-alkoxyisoquinoline, 36)Show SMILES CN(C)CCCS(=O)(=O)N1CCC(COc2cc3cnccc3cc2-c2ccccc2)CC1 Show InChI InChI=1S/C26H33N3O3S/c1-28(2)13-6-16-33(30,31)29-14-10-21(11-15-29)20-32-26-18-24-19-27-12-9-23(24)17-25(26)22-7-4-3-5-8-22/h3-5,7-9,12,17-19,21H,6,10-11,13-16,20H2,1-2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
| Assay Description IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi... |
J Med Chem 52: 3098-102 (2009)
Article DOI: 10.1021/jm9000117 BindingDB Entry DOI: 10.7270/Q27H1GX7 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50274112
(CHEMBL4127963)Show SMILES Cn1cc(CCCC(=O)NC2CCN(CC2)C(=O)OCc2cc(Cl)cc(Cl)c2)nn1 Show InChI InChI=1S/C20H25Cl2N5O3/c1-26-12-18(24-25-26)3-2-4-19(28)23-17-5-7-27(8-6-17)20(29)30-13-14-9-15(21)11-16(22)10-14/h9-12,17H,2-8,13H2,1H3,(H,23,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of ATX (unknown origin) assessed as decrease in choline release |
Bioorg Med Chem Lett 28: 2279-2284 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.030 BindingDB Entry DOI: 10.7270/Q2DB84DV |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM29417
(7-alkoxyisoquinoline, 27)Show SMILES CCS(=O)(=O)N1CCC(CC1)Oc1cc2cnccc2cc1-c1ccccc1 Show InChI InChI=1S/C22H24N2O3S/c1-2-28(25,26)24-12-9-20(10-13-24)27-22-15-19-16-23-11-8-18(19)14-21(22)17-6-4-3-5-7-17/h3-8,11,14-16,20H,2,9-10,12-13H2,1H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
| Assay Description IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi... |
J Med Chem 52: 3098-102 (2009)
Article DOI: 10.1021/jm9000117 BindingDB Entry DOI: 10.7270/Q27H1GX7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM29427
(7-alkoxyisoquinoline, 37)Show SMILES CCS(=O)(=O)N1CCC(COc2cc3cnccc3cc2-c2ccccc2)CC1 Show InChI InChI=1S/C23H26N2O3S/c1-2-29(26,27)25-12-9-18(10-13-25)17-28-23-15-21-16-24-11-8-20(21)14-22(23)19-6-4-3-5-7-19/h3-8,11,14-16,18H,2,9-10,12-13,17H2,1H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
| Assay Description IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi... |
J Med Chem 52: 3098-102 (2009)
Article DOI: 10.1021/jm9000117 BindingDB Entry DOI: 10.7270/Q27H1GX7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM29411
(7-alkoxyisoquinoline, 21)Show InChI InChI=1S/C20H20N2O/c1-2-4-15(5-3-1)19-12-16-6-9-22-14-17(16)13-20(19)23-18-7-10-21-11-8-18/h1-6,9,12-14,18,21H,7-8,10-11H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.51E+3 | n/a | n/a | n/a | n/a | 7.4 | 22 |
GSK
| Assay Description IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi... |
J Med Chem 52: 3098-102 (2009)
Article DOI: 10.1021/jm9000117 BindingDB Entry DOI: 10.7270/Q27H1GX7 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50187693
(CHEMBL3186509)Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCN(CCC(=O)c3ccc4[nH]c(=O)oc4c3)CC2)c1 Show InChI InChI=1S/C22H21Cl2N3O5/c23-16-9-14(10-17(24)12-16)13-31-22(30)27-7-5-26(6-8-27)4-3-19(28)15-1-2-18-20(11-15)32-21(29)25-18/h1-2,9-12H,3-8,13H2,(H,25,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells after 45 mins by scintillation counting method |
Bioorg Med Chem Lett 28: 2279-2284 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.030 BindingDB Entry DOI: 10.7270/Q2DB84DV |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM29415
(7-alkoxyisoquinoline, 25)Show InChI InChI=1S/C22H22N2O2/c1-16(25)24-11-8-20(9-12-24)26-22-14-19-15-23-10-7-18(19)13-21(22)17-5-3-2-4-6-17/h2-7,10,13-15,20H,8-9,11-12H2,1H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
| Assay Description IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi... |
J Med Chem 52: 3098-102 (2009)
Article DOI: 10.1021/jm9000117 BindingDB Entry DOI: 10.7270/Q27H1GX7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM29421
(7-alkoxyisoquinoline, 31)Show InChI InChI=1S/C21H22N2O/c1-2-6-17(7-3-1)20-11-18-8-10-23-14-19(18)12-21(20)24-15-16-5-4-9-22-13-16/h1-3,6-8,10-12,14,16,22H,4-5,9,13,15H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.16E+3 | n/a | n/a | n/a | n/a | 7.4 | 22 |
GSK
| Assay Description IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi... |
J Med Chem 52: 3098-102 (2009)
Article DOI: 10.1021/jm9000117 BindingDB Entry DOI: 10.7270/Q27H1GX7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM29431
(benzyloxyisoquinoline, 7)Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc2ccncc2cc1OCc1ccccc1 Show InChI InChI=1S/C22H18N2O3S/c23-28(25,26)20-8-6-17(7-9-20)21-12-18-10-11-24-14-19(18)13-22(21)27-15-16-4-2-1-3-5-16/h1-14H,15H2,(H2,23,25,26) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
| Assay Description IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi... |
J Med Chem 52: 3098-102 (2009)
Article DOI: 10.1021/jm9000117 BindingDB Entry DOI: 10.7270/Q27H1GX7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM29428
(7-alkoxyisoquinoline, 38)Show InChI InChI=1S/C21H16N2O/c1-2-6-17(7-3-1)20-11-18-8-10-23-14-19(18)12-21(20)24-15-16-5-4-9-22-13-16/h1-14H,15H2 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
| Assay Description IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi... |
J Med Chem 52: 3098-102 (2009)
Article DOI: 10.1021/jm9000117 BindingDB Entry DOI: 10.7270/Q27H1GX7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM29408
(7-alkoxyisoquinoline, 18)Show SMILES NS(=O)(=O)Cc1ccc(cc1)-c1cc2ccncc2cc1OC1CCNCC1 Show InChI InChI=1S/C21H23N3O3S/c22-28(25,26)14-15-1-3-16(4-2-15)20-11-17-5-8-24-13-18(17)12-21(20)27-19-6-9-23-10-7-19/h1-5,8,11-13,19,23H,6-7,9-10,14H2,(H2,22,25,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.98E+3 | n/a | n/a | n/a | n/a | 7.4 | 22 |
GSK
| Assay Description IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi... |
J Med Chem 52: 3098-102 (2009)
Article DOI: 10.1021/jm9000117 BindingDB Entry DOI: 10.7270/Q27H1GX7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM29420
(7-alkoxyisoquinoline, 30)Show InChI InChI=1S/C20H20N2O/c1-2-5-15(6-3-1)19-11-16-8-10-22-13-17(16)12-20(19)23-18-7-4-9-21-14-18/h1-3,5-6,8,10-13,18,21H,4,7,9,14H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.98E+3 | n/a | n/a | n/a | n/a | 7.4 | 22 |
GSK
| Assay Description IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi... |
J Med Chem 52: 3098-102 (2009)
Article DOI: 10.1021/jm9000117 BindingDB Entry DOI: 10.7270/Q27H1GX7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM29413
(7-alkoxyisoquinoline, 23)Show InChI InChI=1S/C16H19BrN2O3S/c1-2-23(20,21)19-7-4-14(5-8-19)22-16-10-13-11-18-6-3-12(13)9-15(16)17/h3,6,9-11,14H,2,4-5,7-8H2,1H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
| Assay Description IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi... |
J Med Chem 52: 3098-102 (2009)
Article DOI: 10.1021/jm9000117 BindingDB Entry DOI: 10.7270/Q27H1GX7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM29419
(7-alkoxyisoquinoline, 29)Show InChI InChI=1S/C14H16N2O/c1-2-14(17-13-4-7-15-8-5-13)9-12-10-16-6-3-11(1)12/h1-3,6,9-10,13,15H,4-5,7-8H2 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
| Assay Description IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi... |
J Med Chem 52: 3098-102 (2009)
Article DOI: 10.1021/jm9000117 BindingDB Entry DOI: 10.7270/Q27H1GX7 |
More data for this Ligand-Target Pair | |