Found 290 hits with Last Name = 'lee' and Initial = 'wc' 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 |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM20926
(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C26H31N3O5/c1-4-27-26(32)24-23(18-7-5-17(6-8-18)15-29-9-11-33-12-10-29)25(34-28-24)20-13-19(16(2)3)21(30)14-22(20)31/h5-8,13-14,16,30-31H,4,9-12,15H2,1-3H3,(H,27,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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| MMDB PDB Article PubMed
| 0.0640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description Binding affinity to HSP90 under reducing conditions in presence of TECP |
J Med Chem 53: 3-17 (2010)
Article DOI: 10.1021/jm9004708 BindingDB Entry DOI: 10.7270/Q2GM889J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM20926
(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C26H31N3O5/c1-4-27-26(32)24-23(18-7-5-17(6-8-18)15-29-9-11-33-12-10-29)25(34-28-24)20-13-19(16(2)3)21(30)14-22(20)31/h5-8,13-14,16,30-31H,4,9-12,15H2,1-3H3,(H,27,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| 0.0690 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description Binding affinity to HSP90 under non-reducing conditions in absence of TECP |
J Med Chem 53: 3-17 (2010)
Article DOI: 10.1021/jm9004708 BindingDB Entry DOI: 10.7270/Q2GM889J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50255960
(4-(6-methylpyridin-2-yl)-5-(quinoxalin-6-yl)thiazo...)Show InChI InChI=1S/C17H13N5S/c1-10-3-2-4-13(21-10)15-16(23-17(18)22-15)11-5-6-12-14(9-11)20-8-7-19-12/h2-9H,1H3,(H2,18,22) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbot Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human TGFBR1 |
Bioorg Med Chem Lett 19: 912-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.119 BindingDB Entry DOI: 10.7270/Q2FX799C |
More data for this Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50255959
(4-(5-fluoro-6-methylpyridin-2-yl)-5-(quinoxalin-6-...)Show InChI InChI=1S/C17H13FN6/c1-9-11(18)3-5-13(22-9)16-15(23-17(19)24-16)10-2-4-12-14(8-10)21-7-6-20-12/h2-8H,1H3,(H3,19,23,24) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbot Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human TGFBR1 |
Bioorg Med Chem Lett 19: 912-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.119 BindingDB Entry DOI: 10.7270/Q2FX799C |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50378702
(CHEMBL560895 | SNX-2112)Show SMILES CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(NC3CCC(O)CC3)c2)C(F)(F)F)C(=O)C1 Show InChI InChI=1S/C23H27F3N4O3/c1-22(2)10-17-19(18(32)11-22)20(23(24,25)26)29-30(17)13-5-8-15(21(27)33)16(9-13)28-12-3-6-14(31)7-4-12/h5,8-9,12,14,28,31H,3-4,6-7,10-11H2,1-2H3,(H2,27,33)/t12-,14- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid UniChem
Similars
| Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description Binding affinity to HSP90 under reducing conditions in presence of TECP |
J Med Chem 53: 3-17 (2010)
Article DOI: 10.1021/jm9004708 BindingDB Entry DOI: 10.7270/Q2GM889J |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM20800
(2-amino-6-halopurine analogue, 20 | 6-chloro-9-[(4...)Show InChI InChI=1S/C14H15ClN6O/c1-7-4-17-9(8(2)11(7)22-3)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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| PDB Article PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description Binding affinity to HSP90 by fluorescence polarization assay |
J Med Chem 53: 3-17 (2010)
Article DOI: 10.1021/jm9004708 BindingDB Entry DOI: 10.7270/Q2GM889J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM20800
(2-amino-6-halopurine analogue, 20 | 6-chloro-9-[(4...)Show InChI InChI=1S/C14H15ClN6O/c1-7-4-17-9(8(2)11(7)22-3)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
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| PDB Article PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description Inhibition of HSP90alpha |
J Med Chem 53: 3-17 (2010)
Article DOI: 10.1021/jm9004708 BindingDB Entry DOI: 10.7270/Q2GM889J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50255228
(CHEMBL517068 | N-(5-([1,2,4]triazolo[1,5-a]pyridin...)Show SMILES CC(=O)Nc1nc(c([nH]1)-c1ccc2ncnn2c1)-c1ccc(F)c(C)n1 Show InChI InChI=1S/C17H14FN7O/c1-9-12(18)4-5-13(21-9)16-15(23-17(24-16)22-10(2)26)11-3-6-14-19-8-20-25(14)7-11/h3-8H,1-2H3,(H2,22,23,24,26) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.07 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbot Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human TGFBR1 |
Bioorg Med Chem Lett 19: 912-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.119 BindingDB Entry DOI: 10.7270/Q2FX799C |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50378702
(CHEMBL560895 | SNX-2112)Show SMILES CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(NC3CCC(O)CC3)c2)C(F)(F)F)C(=O)C1 Show InChI InChI=1S/C23H27F3N4O3/c1-22(2)10-17-19(18(32)11-22)20(23(24,25)26)29-30(17)13-5-8-15(21(27)33)16(9-13)28-12-3-6-14(31)7-4-12/h5,8-9,12,14,28,31H,3-4,6-7,10-11H2,1-2H3,(H2,27,33)/t12-,14- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid UniChem
Similars
| Article PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description Binding affinity to HSP90 under non-reducing conditions in absence of TECP |
J Med Chem 53: 3-17 (2010)
Article DOI: 10.1021/jm9004708 BindingDB Entry DOI: 10.7270/Q2GM889J |
More data for this Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50255227
(CHEMBL450161 | N-(5-([1,2,4]triazolo[1,5-a]pyridin...)Show SMILES CC(=O)Nc1nc(c([nH]1)-c1ccc2ncnn2c1)-c1cccc(C)n1 Show InChI InChI=1S/C17H15N7O/c1-10-4-3-5-13(20-10)16-15(22-17(23-16)21-11(2)25)12-6-7-14-18-9-19-24(14)8-12/h3-9H,1-2H3,(H2,21,22,23,25) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.95 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbot Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human TGFBR1 |
Bioorg Med Chem Lett 19: 912-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.119 BindingDB Entry DOI: 10.7270/Q2FX799C |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50030868
((8S,9S,12S,13R,14S,16R)-19-amino-13-hydroxy-8,14-d...)Show SMILES CO[C@H]1CC(C)=Cc2c(N)c(O)cc(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)c2O |r,w:20.19,17.17,6.6,t:31| Show InChI InChI=1S/C28H39N3O8/c1-14-10-18-23(29)20(32)13-19(25(18)34)31-27(35)15(2)8-7-9-21(37-5)26(39-28(30)36)17(4)12-16(3)24(33)22(11-14)38-6/h7-10,12-13,16,21-22,24,26,32-34H,11,29H2,1-6H3,(H2,30,36)(H,31,35)/b9-7?,14-10?,15-8?,17-12+/t16-,21-,22-,24+,26-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description Binding affinity to HSP90 under reducing conditions in presence of TECP |
J Med Chem 53: 3-17 (2010)
Article DOI: 10.1021/jm9004708 BindingDB Entry DOI: 10.7270/Q2GM889J |
More data for this Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50255958
(6-(4-(5-fluoro-6-methylpyridin-2-yl)-2-(4-(methyls...)Show SMILES Cc1nc(ccc1F)-c1nc([nH]c1-c1ccc2ncnn2c1)N1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C20H21FN8O2S/c1-13-15(21)4-5-16(24-13)19-18(14-3-6-17-22-12-23-29(17)11-14)25-20(26-19)27-7-9-28(10-8-27)32(2,30)31/h3-6,11-12H,7-10H2,1-2H3,(H,25,26) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbot Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human TGFBR1 |
Bioorg Med Chem Lett 19: 912-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.119 BindingDB Entry DOI: 10.7270/Q2FX799C |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM15359
((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-...)Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CC=C |r,w:16.16,38.39,t:28| Show InChI InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-12,15-17,19,24-25,27,29,35-37H,1,13-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9?,18-10?,20-15+,33-12?/t17-,19+,24+,25+,27-,29+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description Inhibition of HSP90alpha |
J Med Chem 53: 3-17 (2010)
Article DOI: 10.1021/jm9004708 BindingDB Entry DOI: 10.7270/Q2GM889J |
More data for this Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50304836
(1,2-dimethyl-4-(6-methylpyridin-2-yl)-5-(quinoxali...)Show SMILES Cc1cccc(n1)-c1c(-c2ccc3nccnc3c2)n(C)n(C)c1=O Show InChI InChI=1S/C19H17N5O/c1-12-5-4-6-15(22-12)17-18(23(2)24(3)19(17)25)13-7-8-14-16(11-13)21-10-9-20-14/h4-11H,1-3H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting |
Bioorg Med Chem Lett 20: 326-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.108 BindingDB Entry DOI: 10.7270/Q2RN37ZK |
More data for this Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50304849
(4-(3-ethylphenyl)-1,2-dimethyl-5-(quinoxalin-6-yl)...)Show SMILES CCc1cccc(c1)-c1c(-c2ccc3nccnc3c2)n(C)n(C)c1=O Show InChI InChI=1S/C21H20N4O/c1-4-14-6-5-7-15(12-14)19-20(24(2)25(3)21(19)26)16-8-9-17-18(13-16)23-11-10-22-17/h5-13H,4H2,1-3H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting |
Bioorg Med Chem Lett 20: 326-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.108 BindingDB Entry DOI: 10.7270/Q2RN37ZK |
More data for this Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50255179
(CHEMBL519939 | N-(4-(5-fluoro-6-methylpyridin-2-yl...)Show SMILES CC(=O)Nc1nc(c([nH]1)-c1ccc2nccnc2c1)-c1ccc(F)c(C)n1 Show InChI InChI=1S/C19H15FN6O/c1-10-13(20)4-6-15(23-10)18-17(25-19(26-18)24-11(2)27)12-3-5-14-16(9-12)22-8-7-21-14/h3-9H,1-2H3,(H2,24,25,26,27) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 7.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbot Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human TGFBR1 |
Bioorg Med Chem Lett 19: 912-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.119 BindingDB Entry DOI: 10.7270/Q2FX799C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50255231
(CHEMBL479262 | N-(4-(5-fluoro-6-methylpyridin-2-yl...)Show SMILES COCC(=O)Nc1nc(c([nH]1)-c1ccc2nccnc2c1)-c1ccc(F)c(C)n1 Show InChI InChI=1S/C20H17FN6O2/c1-11-13(21)4-6-15(24-11)19-18(26-20(27-19)25-17(28)10-29-2)12-3-5-14-16(9-12)23-8-7-22-14/h3-9H,10H2,1-2H3,(H2,25,26,27,28) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbot Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human TGFBR1 |
Bioorg Med Chem Lett 19: 912-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.119 BindingDB Entry DOI: 10.7270/Q2FX799C |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM20926
(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C26H31N3O5/c1-4-27-26(32)24-23(18-7-5-17(6-8-18)15-29-9-11-33-12-10-29)25(34-28-24)20-13-19(16(2)3)21(30)14-22(20)31/h5-8,13-14,16,30-31H,4,9-12,15H2,1-3H3,(H,27,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description Inhibition of HSP90beta |
J Med Chem 53: 3-17 (2010)
Article DOI: 10.1021/jm9004708 BindingDB Entry DOI: 10.7270/Q2GM889J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50255230
(CHEMBL521441 | N-(4-(5-fluoro-6-methylpyridin-2-yl...)Show SMILES CCC(=O)Nc1nc(c([nH]1)-c1ccc2nccnc2c1)-c1ccc(F)c(C)n1 Show InChI InChI=1S/C20H17FN6O/c1-3-17(28)25-20-26-18(12-4-6-14-16(10-12)23-9-8-22-14)19(27-20)15-7-5-13(21)11(2)24-15/h4-10H,3H2,1-2H3,(H2,25,26,27,28) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbot Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human TGFBR1 |
Bioorg Med Chem Lett 19: 912-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.119 BindingDB Entry DOI: 10.7270/Q2FX799C |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM20926
(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C26H31N3O5/c1-4-27-26(32)24-23(18-7-5-17(6-8-18)15-29-9-11-33-12-10-29)25(34-28-24)20-13-19(16(2)3)21(30)14-22(20)31/h5-8,13-14,16,30-31H,4,9-12,15H2,1-3H3,(H,27,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description Inhibition of HSP90alpha |
J Med Chem 53: 3-17 (2010)
Article DOI: 10.1021/jm9004708 BindingDB Entry DOI: 10.7270/Q2GM889J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM15359
((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-...)Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CC=C |r,w:16.16,38.39,t:28| Show InChI InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-12,15-17,19,24-25,27,29,35-37H,1,13-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9?,18-10?,20-15+,33-12?/t17-,19+,24+,25+,27-,29+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description Binding affinity to HSP90 under reducing conditions in presence of TECP |
J Med Chem 53: 3-17 (2010)
Article DOI: 10.1021/jm9004708 BindingDB Entry DOI: 10.7270/Q2GM889J |
More data for this Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50304835
(1,2-dimethyl-4-(pyridin-2-yl)-5-(quinoxalin-6-yl)-...)Show InChI InChI=1S/C18H15N5O/c1-22-17(12-6-7-13-15(11-12)21-10-9-20-13)16(18(24)23(22)2)14-5-3-4-8-19-14/h3-11H,1-2H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting |
Bioorg Med Chem Lett 20: 326-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.108 BindingDB Entry DOI: 10.7270/Q2RN37ZK |
More data for this Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50304850
(1,2-dimethyl-5-(quinoxalin-6-yl)-4-(3-vinylphenyl)...)Show SMILES Cn1c(c(-c2cccc(C=C)c2)c(=O)n1C)-c1ccc2nccnc2c1 Show InChI InChI=1S/C21H18N4O/c1-4-14-6-5-7-15(12-14)19-20(24(2)25(3)21(19)26)16-8-9-17-18(13-16)23-11-10-22-17/h4-13H,1H2,2-3H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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| Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting |
Bioorg Med Chem Lett 20: 326-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.108 BindingDB Entry DOI: 10.7270/Q2RN37ZK |
More data for this Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50304864
(4-(3-bromophenyl)-1,2-dimethyl-5-(quinoxalin-6-yl)...)Show SMILES Cn1c(c(-c2cccc(Br)c2)c(=O)n1C)-c1ccc2nccnc2c1 Show InChI InChI=1S/C19H15BrN4O/c1-23-18(13-6-7-15-16(11-13)22-9-8-21-15)17(19(25)24(23)2)12-4-3-5-14(20)10-12/h3-11H,1-2H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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Similars
| Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting |
Bioorg Med Chem Lett 20: 326-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.108 BindingDB Entry DOI: 10.7270/Q2RN37ZK |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM20800
(2-amino-6-halopurine analogue, 20 | 6-chloro-9-[(4...)Show InChI InChI=1S/C14H15ClN6O/c1-7-4-17-9(8(2)11(7)22-3)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description Binding affinity to HSP90 under reducing conditions in presence of TECP |
J Med Chem 53: 3-17 (2010)
Article DOI: 10.1021/jm9004708 BindingDB Entry DOI: 10.7270/Q2GM889J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50255908
(4-(5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(5-flu...)Show SMILES Cc1nc(ccc1F)-c1nc([nH]c1-c1ccc2ncnn2c1)N1CCOCC1 Show InChI InChI=1S/C19H18FN7O/c1-12-14(20)3-4-15(23-12)18-17(13-2-5-16-21-11-22-27(16)10-13)24-19(25-18)26-6-8-28-9-7-26/h2-5,10-11H,6-9H2,1H3,(H,24,25) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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| Article PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbot Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human TGFBR1 |
Bioorg Med Chem Lett 19: 912-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.119 BindingDB Entry DOI: 10.7270/Q2FX799C |
More data for this Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50255957
(1-(4-(5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(5-...)Show SMILES CC(=O)N1CCN(CC1)c1nc(c([nH]1)-c1ccc2ncnn2c1)-c1ccc(F)c(C)n1 Show InChI InChI=1S/C21H21FN8O/c1-13-16(22)4-5-17(25-13)20-19(15-3-6-18-23-12-24-30(18)11-15)26-21(27-20)29-9-7-28(8-10-29)14(2)31/h3-6,11-12H,7-10H2,1-2H3,(H,26,27) | PDB MMDB
UniProtKB/SwissProt
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| Article PubMed
| 15.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbot Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human TGFBR1 |
Bioorg Med Chem Lett 19: 912-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.119 BindingDB Entry DOI: 10.7270/Q2FX799C |
More data for this Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50255909
(6-(4-(5-fluoro-6-methylpyridin-2-yl)-2-(4-methylpi...)Show SMILES CN1CCN(CC1)c1nc(c([nH]1)-c1ccc2ncnn2c1)-c1ccc(F)c(C)n1 Show InChI InChI=1S/C20H21FN8/c1-13-15(21)4-5-16(24-13)19-18(14-3-6-17-22-12-23-29(17)11-14)25-20(26-19)28-9-7-27(2)8-10-28/h3-6,11-12H,7-10H2,1-2H3,(H,25,26) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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| Article PubMed
| 16.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbot Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human TGFBR1 |
Bioorg Med Chem Lett 19: 912-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.119 BindingDB Entry DOI: 10.7270/Q2FX799C |
More data for this Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50110208
(4-(4-(benzo[d][1,3]dioxol-5-yl)-5-(pyridin-2-yl)-1...)Show SMILES NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1 Show InChI InChI=1S/C22H16N4O3/c23-21(27)13-4-6-14(7-5-13)22-25-19(20(26-22)16-3-1-2-10-24-16)15-8-9-17-18(11-15)29-12-28-17/h1-11H,12H2,(H2,23,27)(H,25,26) | PDB MMDB
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting |
Bioorg Med Chem Lett 20: 326-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.108 BindingDB Entry DOI: 10.7270/Q2RN37ZK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50304865
(CHEMBL607429 | N-(3-(1,2-dimethyl-3-oxo-5-(quinoxa...)Show SMILES Cn1c(c(-c2cccc(NS(C)(=O)=O)c2)c(=O)n1C)-c1ccc2nccnc2c1 Show InChI InChI=1S/C20H19N5O3S/c1-24-19(14-7-8-16-17(12-14)22-10-9-21-16)18(20(26)25(24)2)13-5-4-6-15(11-13)23-29(3,27)28/h4-12,23H,1-3H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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| Article PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting |
Bioorg Med Chem Lett 20: 326-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.108 BindingDB Entry DOI: 10.7270/Q2RN37ZK |
More data for this Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50255906
(CHEMBL480731 | N-(4-(5-fluoro-6-methylpyridin-2-yl...)Show SMILES COCCC(=O)Nc1nc(c([nH]1)-c1ccc2nccnc2c1)-c1ccc(F)c(C)n1 Show InChI InChI=1S/C21H19FN6O2/c1-12-14(22)4-6-16(25-12)20-19(27-21(28-20)26-18(29)7-10-30-2)13-3-5-15-17(11-13)24-9-8-23-15/h3-6,8-9,11H,7,10H2,1-2H3,(H2,26,27,28,29) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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| Article PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbot Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human TGFBR1 |
Bioorg Med Chem Lett 19: 912-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.119 BindingDB Entry DOI: 10.7270/Q2FX799C |
More data for this Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50304863
(4-(3-chlorophenyl)-1,2-dimethyl-5-(quinoxalin-6-yl...)Show SMILES Cn1c(c(-c2cccc(Cl)c2)c(=O)n1C)-c1ccc2nccnc2c1 Show InChI InChI=1S/C19H15ClN4O/c1-23-18(13-6-7-15-16(11-13)22-9-8-21-15)17(19(25)24(23)2)12-4-3-5-14(20)10-12/h3-11H,1-2H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting |
Bioorg Med Chem Lett 20: 326-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.108 BindingDB Entry DOI: 10.7270/Q2RN37ZK |
More data for this Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50304840
(1,2-dimethyl-5-(quinoxalin-6-yl)-4-m-tolyl-1H-pyra...)Show SMILES Cc1cccc(c1)-c1c(-c2ccc3nccnc3c2)n(C)n(C)c1=O Show InChI InChI=1S/C20H18N4O/c1-13-5-4-6-14(11-13)18-19(23(2)24(3)20(18)25)15-7-8-16-17(12-15)22-10-9-21-16/h4-12H,1-3H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting |
Bioorg Med Chem Lett 20: 326-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.108 BindingDB Entry DOI: 10.7270/Q2RN37ZK |
More data for this Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50304853
(4-(3-methoxyphenyl)-1,2-dimethyl-5-(quinoxalin-6-y...)Show SMILES COc1cccc(c1)-c1c(-c2ccc3nccnc3c2)n(C)n(C)c1=O Show InChI InChI=1S/C20H18N4O2/c1-23-19(14-7-8-16-17(12-14)22-10-9-21-16)18(20(25)24(23)2)13-5-4-6-15(11-13)26-3/h4-12H,1-3H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting |
Bioorg Med Chem Lett 20: 326-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.108 BindingDB Entry DOI: 10.7270/Q2RN37ZK |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50030868
((8S,9S,12S,13R,14S,16R)-19-amino-13-hydroxy-8,14-d...)Show SMILES CO[C@H]1CC(C)=Cc2c(N)c(O)cc(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)c2O |r,w:20.19,17.17,6.6,t:31| Show InChI InChI=1S/C28H39N3O8/c1-14-10-18-23(29)20(32)13-19(25(18)34)31-27(35)15(2)8-7-9-21(37-5)26(39-28(30)36)17(4)12-16(3)24(33)22(11-14)38-6/h7-10,12-13,16,21-22,24,26,32-34H,11,29H2,1-6H3,(H2,30,36)(H,31,35)/b9-7?,14-10?,15-8?,17-12+/t16-,21-,22-,24+,26-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description Binding affinity to HSP90 under non-reducing conditions in absence of TECP |
J Med Chem 53: 3-17 (2010)
Article DOI: 10.1021/jm9004708 BindingDB Entry DOI: 10.7270/Q2GM889J |
More data for this Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50304858
(2-(3-(1,2-dimethyl-3-oxo-5-(quinoxalin-6-yl)-2,3-d...)Show SMILES Cn1c(c(-c2cccc(CC#N)c2)c(=O)n1C)-c1ccc2nccnc2c1 Show InChI InChI=1S/C21H17N5O/c1-25-20(16-6-7-17-18(13-16)24-11-10-23-17)19(21(27)26(25)2)15-5-3-4-14(12-15)8-9-22/h3-7,10-13H,8H2,1-2H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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Similars
| Article PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting |
Bioorg Med Chem Lett 20: 326-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.108 BindingDB Entry DOI: 10.7270/Q2RN37ZK |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM20800
(2-amino-6-halopurine analogue, 20 | 6-chloro-9-[(4...)Show InChI InChI=1S/C14H15ClN6O/c1-7-4-17-9(8(2)11(7)22-3)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
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| PDB Article PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description Binding affinity to HSP90 under non-reducing conditions in absence of TECP |
J Med Chem 53: 3-17 (2010)
Article DOI: 10.1021/jm9004708 BindingDB Entry DOI: 10.7270/Q2GM889J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50304855
(4-(3-(methoxymethyl)phenyl)-1,2-dimethyl-5-(quinox...)Show SMILES COCc1cccc(c1)-c1c(-c2ccc3nccnc3c2)n(C)n(C)c1=O Show InChI InChI=1S/C21H20N4O2/c1-24-20(16-7-8-17-18(12-16)23-10-9-22-17)19(21(26)25(24)2)15-6-4-5-14(11-15)13-27-3/h4-12H,13H2,1-3H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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Similars
| PDB Article PubMed
| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting |
Bioorg Med Chem Lett 20: 326-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.108 BindingDB Entry DOI: 10.7270/Q2RN37ZK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50255907
(6-(4-(5-fluoro-6-methylpyridin-2-yl)-2-(piperidin-...)Show SMILES Cc1nc(ccc1F)-c1nc([nH]c1-c1ccc2ncnn2c1)N1CCCCC1 Show InChI InChI=1S/C20H20FN7/c1-13-15(21)6-7-16(24-13)19-18(14-5-8-17-22-12-23-28(17)11-14)25-20(26-19)27-9-3-2-4-10-27/h5-8,11-12H,2-4,9-10H2,1H3,(H,25,26) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 53.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbot Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human TGFBR1 |
Bioorg Med Chem Lett 19: 912-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.119 BindingDB Entry DOI: 10.7270/Q2FX799C |
More data for this Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50304872
(1,2-dimethyl-5-(quinoxalin-6-yl)-4-(thiophen-3-yl)...)Show InChI InChI=1S/C17H14N4OS/c1-20-16(11-3-4-13-14(9-11)19-7-6-18-13)15(17(22)21(20)2)12-5-8-23-10-12/h3-10H,1-2H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting |
Bioorg Med Chem Lett 20: 326-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.108 BindingDB Entry DOI: 10.7270/Q2RN37ZK |
More data for this Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50304852
(1,2-dimethyl-4-(3-(methylthio)phenyl)-5-(quinoxali...)Show SMILES CSc1cccc(c1)-c1c(-c2ccc3nccnc3c2)n(C)n(C)c1=O Show InChI InChI=1S/C20H18N4OS/c1-23-19(14-7-8-16-17(12-14)22-10-9-21-16)18(20(25)24(23)2)13-5-4-6-15(11-13)26-3/h4-12H,1-3H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting |
Bioorg Med Chem Lett 20: 326-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.108 BindingDB Entry DOI: 10.7270/Q2RN37ZK |
More data for this Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50304870
(4-(furan-3-yl)-1,2-dimethyl-5-(quinoxalin-6-yl)-1H...)Show InChI InChI=1S/C17H14N4O2/c1-20-16(11-3-4-13-14(9-11)19-7-6-18-13)15(17(22)21(20)2)12-5-8-23-10-12/h3-10H,1-2H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 73 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting |
Bioorg Med Chem Lett 20: 326-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.108 BindingDB Entry DOI: 10.7270/Q2RN37ZK |
More data for this Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50304862
(4-(3-fluorophenyl)-1,2-dimethyl-5-(quinoxalin-6-yl...)Show SMILES Cn1c(c(-c2cccc(F)c2)c(=O)n1C)-c1ccc2nccnc2c1 Show InChI InChI=1S/C19H15FN4O/c1-23-18(13-6-7-15-16(11-13)22-9-8-21-15)17(19(25)24(23)2)12-4-3-5-14(20)10-12/h3-11H,1-2H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 78 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting |
Bioorg Med Chem Lett 20: 326-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.108 BindingDB Entry DOI: 10.7270/Q2RN37ZK |
More data for this Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50304839
(1,2-dimethyl-4-phenyl-5-(quinoxalin-6-yl)-1H-pyraz...)Show InChI InChI=1S/C19H16N4O/c1-22-18(14-8-9-15-16(12-14)21-11-10-20-15)17(19(24)23(22)2)13-6-4-3-5-7-13/h3-12H,1-2H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 78 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting |
Bioorg Med Chem Lett 20: 326-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.108 BindingDB Entry DOI: 10.7270/Q2RN37ZK |
More data for this Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50304854
(1,2-dimethyl-5-(quinoxalin-6-yl)-4-(3-(trifluorome...)Show SMILES Cn1c(c(-c2cccc(c2)C(F)(F)F)c(=O)n1C)-c1ccc2nccnc2c1 Show InChI InChI=1S/C20H15F3N4O/c1-26-18(13-6-7-15-16(11-13)25-9-8-24-15)17(19(28)27(26)2)12-4-3-5-14(10-12)20(21,22)23/h3-11H,1-2H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 111 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting |
Bioorg Med Chem Lett 20: 326-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.108 BindingDB Entry DOI: 10.7270/Q2RN37ZK |
More data for this Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50304869
(4-(furan-2-yl)-1,2-dimethyl-5-(quinoxalin-6-yl)-1H...)Show InChI InChI=1S/C17H14N4O2/c1-20-16(11-5-6-12-13(10-11)19-8-7-18-12)15(17(22)21(20)2)14-4-3-9-23-14/h3-10H,1-2H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting |
Bioorg Med Chem Lett 20: 326-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.108 BindingDB Entry DOI: 10.7270/Q2RN37ZK |
More data for this Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50304871
(1,2-dimethyl-5-(quinoxalin-6-yl)-4-(thiophen-2-yl)...)Show InChI InChI=1S/C17H14N4OS/c1-20-16(11-5-6-12-13(10-11)19-8-7-18-12)15(17(22)21(20)2)14-4-3-9-23-14/h3-10H,1-2H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 365 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting |
Bioorg Med Chem Lett 20: 326-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.108 BindingDB Entry DOI: 10.7270/Q2RN37ZK |
More data for this Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50304856
(4-(3-(hydroxymethyl)phenyl)-1,2-dimethyl-5-(quinox...)Show SMILES Cn1c(c(-c2cccc(CO)c2)c(=O)n1C)-c1ccc2nccnc2c1 Show InChI InChI=1S/C20H18N4O2/c1-23-19(15-6-7-16-17(11-15)22-9-8-21-16)18(20(26)24(23)2)14-5-3-4-13(10-14)12-25/h3-11,25H,12H2,1-2H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting |
Bioorg Med Chem Lett 20: 326-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.108 BindingDB Entry DOI: 10.7270/Q2RN37ZK |
More data for this Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50304859
(4-(3-acetylphenyl)-1,2-dimethyl-5-(quinoxalin-6-yl...)Show SMILES CC(=O)c1cccc(c1)-c1c(-c2ccc3nccnc3c2)n(C)n(C)c1=O Show InChI InChI=1S/C21H18N4O2/c1-13(26)14-5-4-6-15(11-14)19-20(24(2)25(3)21(19)27)16-7-8-17-18(12-16)23-10-9-22-17/h4-12H,1-3H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting |
Bioorg Med Chem Lett 20: 326-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.108 BindingDB Entry DOI: 10.7270/Q2RN37ZK |
More data for this Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50304861
(CHEMBL593950 | methyl 3-(1,2-dimethyl-3-oxo-5-(qui...)Show SMILES COC(=O)c1cccc(c1)-c1c(-c2ccc3nccnc3c2)n(C)n(C)c1=O Show InChI InChI=1S/C21H18N4O3/c1-24-19(14-7-8-16-17(12-14)23-10-9-22-16)18(20(26)25(24)2)13-5-4-6-15(11-13)21(27)28-3/h4-12H,1-3H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting |
Bioorg Med Chem Lett 20: 326-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.108 BindingDB Entry DOI: 10.7270/Q2RN37ZK |
More data for this Ligand-Target Pair | |