Found 72 hits with Last Name = 'fadden' and Initial = 'rp' 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-alpha/90-beta
(Homo sapiens (Human)) | BDBM50450704
(CHEMBL560895 | SNX-2112)Show SMILES CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)C(F)(F)F)C(=O)C1 |r,wU:18.18,wD:21.22,(-2.35,-2,;-2.38,-.77,;-3.43,-.12,;-1.03,-1.55,;.3,-.77,;.3,.77,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.68,;3.35,-7.18,;4.53,-7.52,;2.46,-8.03,;4.09,-4.62,;5.57,-5.04,;6.68,-3.97,;6.3,-2.47,;7.41,-1.4,;8.89,-1.82,;9.77,-.96,;9.27,-3.32,;8.16,-4.39,;3.72,-3.12,;2.24,2.7,;3.44,2.95,;1.41,3.61,;2.62,3.87,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,)| 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
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 in human A375 cells assessed as pS6 degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50450704
(CHEMBL560895 | SNX-2112)Show SMILES CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)C(F)(F)F)C(=O)C1 |r,wU:18.18,wD:21.22,(-2.35,-2,;-2.38,-.77,;-3.43,-.12,;-1.03,-1.55,;.3,-.77,;.3,.77,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.68,;3.35,-7.18,;4.53,-7.52,;2.46,-8.03,;4.09,-4.62,;5.57,-5.04,;6.68,-3.97,;6.3,-2.47,;7.41,-1.4,;8.89,-1.82,;9.77,-.96,;9.27,-3.32,;8.16,-4.39,;3.72,-3.12,;2.24,2.7,;3.44,2.95,;1.41,3.61,;2.62,3.87,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,)| 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
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 in human A375 cells assessed as Hsp70 induction after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50008057
(BMS-722782 | CHEBI:64153 | TANESPIMYCIN)Show SMILES CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |r,c:7,23,t:15,21,34| 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/h8-11,15-17,19,24-25,27,29,33,36H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9-,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
MCE MMDB PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 in human AU565 cells assessed as Her2 degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50379853
(CHEMBL2011854)Show SMILES Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(C)nc(N)nc2c1 Show InChI InChI=1S/C20H22N4O/c1-11-10-24(16-8-20(3,4)9-17(25)18(11)16)13-5-6-14-12(2)22-19(21)23-15(14)7-13/h5-7,10H,8-9H2,1-4H3,(H2,21,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc.
Curated by ChEMBL
| Assay Description Inhibition of HSP90-mediated Her2 degradation in human AU565 cells after 24 hrs by ELISA |
Bioorg Med Chem Lett 22: 2550-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.137 BindingDB Entry DOI: 10.7270/Q2WQ04TB |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50008057
(BMS-722782 | CHEBI:64153 | TANESPIMYCIN)Show SMILES CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |r,c:7,23,t:15,21,34| 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/h8-11,15-17,19,24-25,27,29,33,36H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9-,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
MCE MMDB PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 in human A375 cells assessed as Hsp70 induction after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50379853
(CHEMBL2011854)Show SMILES Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(C)nc(N)nc2c1 Show InChI InChI=1S/C20H22N4O/c1-11-10-24(16-8-20(3,4)9-17(25)18(11)16)13-5-6-14-12(2)22-19(21)23-15(14)7-13/h5-7,10H,8-9H2,1-4H3,(H2,21,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc.
Curated by ChEMBL
| Assay Description Inhibition of HSP90 in human A375 cells assessed as induction of HSP70 synthesis after 24 hrs by TRITC assay |
Bioorg Med Chem Lett 22: 2550-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.137 BindingDB Entry DOI: 10.7270/Q2WQ04TB |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50480378
(CHEMBL563608)Show SMILES Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc(C(N)=O)c(N[C@H]2CC[C@H](O)CC2)c1 |r,wU:22.23,wD:25.27,(2.14,2.41,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.35,-2,;-3.43,-.12,;-2.38,.77,;-1.03,1.55,;-1.03,2.79,;.3,.77,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.68,;3.35,-7.18,;4.53,-7.52,;2.46,-8.03,;4.09,-4.62,;5.57,-5.04,;6.68,-3.97,;6.3,-2.47,;7.41,-1.4,;8.89,-1.82,;9.77,-.96,;9.27,-3.32,;8.16,-4.39,;3.72,-3.12,)| Show InChI InChI=1S/C24H31N3O3/c1-14-13-27(20-11-24(2,3)12-21(29)22(14)20)16-6-9-18(23(25)30)19(10-16)26-15-4-7-17(28)8-5-15/h6,9-10,13,15,17,26,28H,4-5,7-8,11-12H2,1-3H3,(H2,25,30)/t15-,17- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 in human A375 cells assessed as pS6 degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50008057
(BMS-722782 | CHEBI:64153 | TANESPIMYCIN)Show SMILES CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |r,c:7,23,t:15,21,34| 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/h8-11,15-17,19,24-25,27,29,33,36H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9-,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
MCE MMDB PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 in human AU565 cells assessed as pERK degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50480379
(CHEMBL553939 | SNX-5422)Show SMILES CS(O)(=O)=O.CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(N[C@H]3CC[C@@H](CC3)OC(=O)CN)c2)C(F)(F)F)C(=O)C1 |r,wU:26.29,wD:23.22,(1.33,-.46,;1.33,.77,;1.33,2,;.27,.15,;2.4,.15,;6.56,.62,;6.53,1.85,;5.48,2.5,;7.88,1.07,;9.21,1.85,;9.21,3.39,;10.67,3.86,;11.57,2.64,;10.67,1.39,;11.15,-.08,;10.22,-1.3,;10.82,-2.72,;12.34,-2.91,;12.93,-4.34,;14.16,-4.49,;12.19,-5.31,;13.28,-1.69,;14.81,-1.88,;15.74,-.65,;17.27,-.85,;18.2,.38,;17.6,1.8,;16.07,1.99,;15.14,.76,;18.52,3.03,;17.92,4.45,;16.7,4.6,;18.85,5.68,;18.37,6.82,;12.68,-.27,;11.15,5.32,;12.35,5.58,;10.32,6.24,;11.53,6.49,;7.88,4.18,;7.88,5.41,;6.53,3.39,)| Show InChI InChI=1S/C25H30F3N5O4.CH4O3S/c1-24(2)10-18-21(19(34)11-24)22(25(26,27)28)32-33(18)14-5-8-16(23(30)36)17(9-14)31-13-3-6-15(7-4-13)37-20(35)12-29;1-5(2,3)4/h5,8-9,13,15,31H,3-4,6-7,10-12,29H2,1-2H3,(H2,30,36);1H3,(H,2,3,4)/t13-,15-; | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 in human AU565 cells assessed as pERK degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50379853
(CHEMBL2011854)Show SMILES Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(C)nc(N)nc2c1 Show InChI InChI=1S/C20H22N4O/c1-11-10-24(16-8-20(3,4)9-17(25)18(11)16)13-5-6-14-12(2)22-19(21)23-15(14)7-13/h5-7,10H,8-9H2,1-4H3,(H2,21,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc.
Curated by ChEMBL
| Assay Description Inhibition of HSP90-mediated pS6 phosphorylation in human A375 cells after 24 hrs by TRITC assay |
Bioorg Med Chem Lett 22: 2550-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.137 BindingDB Entry DOI: 10.7270/Q2WQ04TB |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50480379
(CHEMBL553939 | SNX-5422)Show SMILES CS(O)(=O)=O.CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(N[C@H]3CC[C@@H](CC3)OC(=O)CN)c2)C(F)(F)F)C(=O)C1 |r,wU:26.29,wD:23.22,(1.33,-.46,;1.33,.77,;1.33,2,;.27,.15,;2.4,.15,;6.56,.62,;6.53,1.85,;5.48,2.5,;7.88,1.07,;9.21,1.85,;9.21,3.39,;10.67,3.86,;11.57,2.64,;10.67,1.39,;11.15,-.08,;10.22,-1.3,;10.82,-2.72,;12.34,-2.91,;12.93,-4.34,;14.16,-4.49,;12.19,-5.31,;13.28,-1.69,;14.81,-1.88,;15.74,-.65,;17.27,-.85,;18.2,.38,;17.6,1.8,;16.07,1.99,;15.14,.76,;18.52,3.03,;17.92,4.45,;16.7,4.6,;18.85,5.68,;18.37,6.82,;12.68,-.27,;11.15,5.32,;12.35,5.58,;10.32,6.24,;11.53,6.49,;7.88,4.18,;7.88,5.41,;6.53,3.39,)| Show InChI InChI=1S/C25H30F3N5O4.CH4O3S/c1-24(2)10-18-21(19(34)11-24)22(25(26,27)28)32-33(18)14-5-8-16(23(30)36)17(9-14)31-13-3-6-15(7-4-13)37-20(35)12-29;1-5(2,3)4/h5,8-9,13,15,31H,3-4,6-7,10-12,29H2,1-2H3,(H2,30,36);1H3,(H,2,3,4)/t13-,15-; | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 in human A375 cells assessed as Hsp70 induction after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50480378
(CHEMBL563608)Show SMILES Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc(C(N)=O)c(N[C@H]2CC[C@H](O)CC2)c1 |r,wU:22.23,wD:25.27,(2.14,2.41,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.35,-2,;-3.43,-.12,;-2.38,.77,;-1.03,1.55,;-1.03,2.79,;.3,.77,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.68,;3.35,-7.18,;4.53,-7.52,;2.46,-8.03,;4.09,-4.62,;5.57,-5.04,;6.68,-3.97,;6.3,-2.47,;7.41,-1.4,;8.89,-1.82,;9.77,-.96,;9.27,-3.32,;8.16,-4.39,;3.72,-3.12,)| Show InChI InChI=1S/C24H31N3O3/c1-14-13-27(20-11-24(2,3)12-21(29)22(14)20)16-6-9-18(23(25)30)19(10-16)26-15-4-7-17(28)8-5-15/h6,9-10,13,15,17,26,28H,4-5,7-8,11-12H2,1-3H3,(H2,25,30)/t15-,17- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 in human A375 cells assessed as Hsp70 induction after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50480378
(CHEMBL563608)Show SMILES Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc(C(N)=O)c(N[C@H]2CC[C@H](O)CC2)c1 |r,wU:22.23,wD:25.27,(2.14,2.41,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.35,-2,;-3.43,-.12,;-2.38,.77,;-1.03,1.55,;-1.03,2.79,;.3,.77,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.68,;3.35,-7.18,;4.53,-7.52,;2.46,-8.03,;4.09,-4.62,;5.57,-5.04,;6.68,-3.97,;6.3,-2.47,;7.41,-1.4,;8.89,-1.82,;9.77,-.96,;9.27,-3.32,;8.16,-4.39,;3.72,-3.12,)| Show InChI InChI=1S/C24H31N3O3/c1-14-13-27(20-11-24(2,3)12-21(29)22(14)20)16-6-9-18(23(25)30)19(10-16)26-15-4-7-17(28)8-5-15/h6,9-10,13,15,17,26,28H,4-5,7-8,11-12H2,1-3H3,(H2,25,30)/t15-,17- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 in human AU565 cells assessed as pERK degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50008057
(BMS-722782 | CHEBI:64153 | TANESPIMYCIN)Show SMILES CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |r,c:7,23,t:15,21,34| 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/h8-11,15-17,19,24-25,27,29,33,36H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9-,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
MCE MMDB PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 in human A375 cells assessed as pS6 degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50379853
(CHEMBL2011854)Show SMILES Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(C)nc(N)nc2c1 Show InChI InChI=1S/C20H22N4O/c1-11-10-24(16-8-20(3,4)9-17(25)18(11)16)13-5-6-14-12(2)22-19(21)23-15(14)7-13/h5-7,10H,8-9H2,1-4H3,(H2,21,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc.
Curated by ChEMBL
| Assay Description Inhibition of HSP90-mediated Erk phosphorylation in human AU565 cells after 24 hrs by TRITC assay |
Bioorg Med Chem Lett 22: 2550-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.137 BindingDB Entry DOI: 10.7270/Q2WQ04TB |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50450704
(CHEMBL560895 | SNX-2112)Show SMILES CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)C(F)(F)F)C(=O)C1 |r,wU:18.18,wD:21.22,(-2.35,-2,;-2.38,-.77,;-3.43,-.12,;-1.03,-1.55,;.3,-.77,;.3,.77,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.68,;3.35,-7.18,;4.53,-7.52,;2.46,-8.03,;4.09,-4.62,;5.57,-5.04,;6.68,-3.97,;6.3,-2.47,;7.41,-1.4,;8.89,-1.82,;9.77,-.96,;9.27,-3.32,;8.16,-4.39,;3.72,-3.12,;2.24,2.7,;3.44,2.95,;1.41,3.61,;2.62,3.87,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,)| 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
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 in human AU565 cells assessed as pERK degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50480374
(CHEMBL560955)Show SMILES COc1cc(Nc2cc(ccc2C(N)=O)-n2cc(C)c3c2CC(C)(C)CC3=O)cc(OC)c1OC Show InChI InChI=1S/C27H31N3O5/c1-15-14-30(20-12-27(2,3)13-21(31)24(15)20)17-7-8-18(26(28)32)19(11-17)29-16-9-22(33-4)25(35-6)23(10-16)34-5/h7-11,14,29H,12-13H2,1-6H3,(H2,28,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 in human AU565 cells assessed as Her2 degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50480379
(CHEMBL553939 | SNX-5422)Show SMILES CS(O)(=O)=O.CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(N[C@H]3CC[C@@H](CC3)OC(=O)CN)c2)C(F)(F)F)C(=O)C1 |r,wU:26.29,wD:23.22,(1.33,-.46,;1.33,.77,;1.33,2,;.27,.15,;2.4,.15,;6.56,.62,;6.53,1.85,;5.48,2.5,;7.88,1.07,;9.21,1.85,;9.21,3.39,;10.67,3.86,;11.57,2.64,;10.67,1.39,;11.15,-.08,;10.22,-1.3,;10.82,-2.72,;12.34,-2.91,;12.93,-4.34,;14.16,-4.49,;12.19,-5.31,;13.28,-1.69,;14.81,-1.88,;15.74,-.65,;17.27,-.85,;18.2,.38,;17.6,1.8,;16.07,1.99,;15.14,.76,;18.52,3.03,;17.92,4.45,;16.7,4.6,;18.85,5.68,;18.37,6.82,;12.68,-.27,;11.15,5.32,;12.35,5.58,;10.32,6.24,;11.53,6.49,;7.88,4.18,;7.88,5.41,;6.53,3.39,)| Show InChI InChI=1S/C25H30F3N5O4.CH4O3S/c1-24(2)10-18-21(19(34)11-24)22(25(26,27)28)32-33(18)14-5-8-16(23(30)36)17(9-14)31-13-3-6-15(7-4-13)37-20(35)12-29;1-5(2,3)4/h5,8-9,13,15,31H,3-4,6-7,10-12,29H2,1-2H3,(H2,30,36);1H3,(H,2,3,4)/t13-,15-; | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 in human A375 cells assessed as pS6 degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50379848
(CHEMBL2011850)Show SMILES CCCCSc1c(ccc2c(N)ncnc12)-n1cc(C)c2c1CC(C)(C)CC2=O Show InChI InChI=1S/C23H28N4OS/c1-5-6-9-29-21-16(8-7-15-20(21)25-13-26-22(15)24)27-12-14(2)19-17(27)10-23(3,4)11-18(19)28/h7-8,12-13H,5-6,9-11H2,1-4H3,(H2,24,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 401 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc.
Curated by ChEMBL
| Assay Description Inhibition of HSP90-mediated Her2 degradation in human SKBR3 cells after 24 hrs by ELISA |
Bioorg Med Chem Lett 22: 2550-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.137 BindingDB Entry DOI: 10.7270/Q2WQ04TB |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50480372
(CHEMBL562990)Show SMILES COc1cc(Nc2cc(ccc2C(N)=O)-n2c(C)cc3c2CC(C)(C)CC3=O)cc(OC)c1OC Show InChI InChI=1S/C27H31N3O5/c1-15-9-19-21(13-27(2,3)14-22(19)31)30(15)17-7-8-18(26(28)32)20(12-17)29-16-10-23(33-4)25(35-6)24(11-16)34-5/h7-12,29H,13-14H2,1-6H3,(H2,28,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 in human AU565 cells assessed as Her2 degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50379854
(CHEMBL2011855)Show SMILES Cc1c(C)n(c2CC(C)(C)CC(=O)c12)-c1ccc2c(N)ncnc2c1 Show InChI InChI=1S/C20H22N4O/c1-11-12(2)24(16-8-20(3,4)9-17(25)18(11)16)13-5-6-14-15(7-13)22-10-23-19(14)21/h5-7,10H,8-9H2,1-4H3,(H2,21,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 498 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc.
Curated by ChEMBL
| Assay Description Inhibition of HSP90-mediated Her2 degradation in human AU565 cells after 24 hrs by ELISA |
Bioorg Med Chem Lett 22: 2550-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.137 BindingDB Entry DOI: 10.7270/Q2WQ04TB |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50379841
(CHEMBL2011843)Show SMILES Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(N)ncnc2c1 Show InChI InChI=1S/C19H20N4O/c1-11-9-23(15-7-19(2,3)8-16(24)17(11)15)12-4-5-13-14(6-12)21-10-22-18(13)20/h4-6,9-10H,7-8H2,1-3H3,(H2,20,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 568 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc.
Curated by ChEMBL
| Assay Description Inhibition of HSP90-mediated Her2 degradation in human SKBR3 cells after 24 hrs by ELISA |
Bioorg Med Chem Lett 22: 2550-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.137 BindingDB Entry DOI: 10.7270/Q2WQ04TB |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50379845
(CHEMBL2011847)Show SMILES Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(N)ncnc2c1F Show InChI InChI=1S/C19H19FN4O/c1-10-8-24(13-6-19(2,3)7-14(25)15(10)13)12-5-4-11-17(16(12)20)22-9-23-18(11)21/h4-5,8-9H,6-7H2,1-3H3,(H2,21,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 665 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc.
Curated by ChEMBL
| Assay Description Inhibition of HSP90-mediated Her2 degradation in human SKBR3 cells after 24 hrs by ELISA |
Bioorg Med Chem Lett 22: 2550-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.137 BindingDB Entry DOI: 10.7270/Q2WQ04TB |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50379840
(CHEMBL2011853)Show SMILES Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc2cnc(N)nc2c1 Show InChI InChI=1S/C19H20N4O/c1-11-10-23(15-7-19(2,3)8-16(24)17(11)15)13-5-4-12-9-21-18(20)22-14(12)6-13/h4-6,9-10H,7-8H2,1-3H3,(H2,20,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 705 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc.
Curated by ChEMBL
| Assay Description Inhibition of HSP90-mediated Her2 degradation in human AU565 cells after 24 hrs by ELISA |
Bioorg Med Chem Lett 22: 2550-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.137 BindingDB Entry DOI: 10.7270/Q2WQ04TB |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50379842
(CHEMBL2011845)Show SMILES Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(N)nc(C)nc2c1 Show InChI InChI=1S/C20H22N4O/c1-11-10-24(16-8-20(3,4)9-17(25)18(11)16)13-5-6-14-15(7-13)22-12(2)23-19(14)21/h5-7,10H,8-9H2,1-4H3,(H2,21,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 731 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc.
Curated by ChEMBL
| Assay Description Inhibition of HSP90-mediated Her2 degradation in human SKBR3 cells after 24 hrs by ELISA |
Bioorg Med Chem Lett 22: 2550-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.137 BindingDB Entry DOI: 10.7270/Q2WQ04TB |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50480395
(CHEMBL559840)Show SMILES COc1ccc(Nc2cc(ccc2C(N)=O)-n2c(C)cc3c2CC(C)(C)CC3=O)cc1 Show InChI InChI=1S/C25H27N3O3/c1-15-11-20-22(13-25(2,3)14-23(20)29)28(15)17-7-10-19(24(26)30)21(12-17)27-16-5-8-18(31-4)9-6-16/h5-12,27H,13-14H2,1-4H3,(H2,26,30) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 in human AU565 cells assessed as Her2 degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50480380
(CHEMBL552300)Show SMILES COc1cc(Nc2cc(ccc2C(N)=O)-n2cc(C)c3c2CCCC3=O)cc(OC)c1OC Show InChI InChI=1S/C25H27N3O5/c1-14-13-28(19-6-5-7-20(29)23(14)19)16-8-9-17(25(26)30)18(12-16)27-15-10-21(31-2)24(33-4)22(11-15)32-3/h8-13,27H,5-7H2,1-4H3,(H2,26,30) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 in human AU565 cells assessed as Her2 degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50480373
(CHEMBL563335)Show SMILES COc1cc(Nc2cc(ccc2C(N)=O)-n2ccc3c2CC(C)(C)CC3=O)cc(OC)c1OC Show InChI InChI=1S/C26H29N3O5/c1-26(2)13-20-18(21(30)14-26)8-9-29(20)16-6-7-17(25(27)31)19(12-16)28-15-10-22(32-3)24(34-5)23(11-15)33-4/h6-12,28H,13-14H2,1-5H3,(H2,27,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 in human AU565 cells assessed as Her2 degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50379843
(CHEMBL2011846)Show SMILES Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(N)nc(N)nc2c1 Show InChI InChI=1S/C19H21N5O/c1-10-9-24(14-7-19(2,3)8-15(25)16(10)14)11-4-5-12-13(6-11)22-18(21)23-17(12)20/h4-6,9H,7-8H2,1-3H3,(H4,20,21,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc.
Curated by ChEMBL
| Assay Description Inhibition of HSP90-mediated Her2 degradation in human SKBR3 cells after 24 hrs by ELISA |
Bioorg Med Chem Lett 22: 2550-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.137 BindingDB Entry DOI: 10.7270/Q2WQ04TB |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50379849
(CHEMBL2011851)Show SMILES Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(N)ncnc2c1SCC=C Show InChI InChI=1S/C22H24N4OS/c1-5-8-28-20-15(7-6-14-19(20)24-12-25-21(14)23)26-11-13(2)18-16(26)9-22(3,4)10-17(18)27/h5-7,11-12H,1,8-10H2,2-4H3,(H2,23,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc.
Curated by ChEMBL
| Assay Description Inhibition of HSP90-mediated Her2 degradation in human SKBR3 cells after 24 hrs by ELISA |
Bioorg Med Chem Lett 22: 2550-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.137 BindingDB Entry DOI: 10.7270/Q2WQ04TB |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50379857
(CHEMBL2011858)Show SMILES Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(N)ncnc2c1F Show InChI InChI=1S/C18H18FN5O/c1-9-14-12(6-18(2,3)7-13(14)25)24(23-9)11-5-4-10-16(15(11)19)21-8-22-17(10)20/h4-5,8H,6-7H2,1-3H3,(H2,20,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc.
Curated by ChEMBL
| Assay Description Inhibition of HSP90-mediated Her2 degradation in human AU565 cells after 24 hrs by ELISA |
Bioorg Med Chem Lett 22: 2550-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.137 BindingDB Entry DOI: 10.7270/Q2WQ04TB |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50379855
(CHEMBL2011856)Show SMILES CCc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(N)ncnc2c1 Show InChI InChI=1S/C19H21N5O/c1-4-13-17-15(8-19(2,3)9-16(17)25)24(23-13)11-5-6-12-14(7-11)21-10-22-18(12)20/h5-7,10H,4,8-9H2,1-3H3,(H2,20,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc.
Curated by ChEMBL
| Assay Description Inhibition of HSP90-mediated Her2 degradation in human AU565 cells after 24 hrs by ELISA |
Bioorg Med Chem Lett 22: 2550-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.137 BindingDB Entry DOI: 10.7270/Q2WQ04TB |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50480379
(CHEMBL553939 | SNX-5422)Show SMILES CS(O)(=O)=O.CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(N[C@H]3CC[C@@H](CC3)OC(=O)CN)c2)C(F)(F)F)C(=O)C1 |r,wU:26.29,wD:23.22,(1.33,-.46,;1.33,.77,;1.33,2,;.27,.15,;2.4,.15,;6.56,.62,;6.53,1.85,;5.48,2.5,;7.88,1.07,;9.21,1.85,;9.21,3.39,;10.67,3.86,;11.57,2.64,;10.67,1.39,;11.15,-.08,;10.22,-1.3,;10.82,-2.72,;12.34,-2.91,;12.93,-4.34,;14.16,-4.49,;12.19,-5.31,;13.28,-1.69,;14.81,-1.88,;15.74,-.65,;17.27,-.85,;18.2,.38,;17.6,1.8,;16.07,1.99,;15.14,.76,;18.52,3.03,;17.92,4.45,;16.7,4.6,;18.85,5.68,;18.37,6.82,;12.68,-.27,;11.15,5.32,;12.35,5.58,;10.32,6.24,;11.53,6.49,;7.88,4.18,;7.88,5.41,;6.53,3.39,)| Show InChI InChI=1S/C25H30F3N5O4.CH4O3S/c1-24(2)10-18-21(19(34)11-24)22(25(26,27)28)32-33(18)14-5-8-16(23(30)36)17(9-14)31-13-3-6-15(7-4-13)37-20(35)12-29;1-5(2,3)4/h5,8-9,13,15,31H,3-4,6-7,10-12,29H2,1-2H3,(H2,30,36);1H3,(H,2,3,4)/t13-,15-; | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 in human AU565 cells assessed as Her2 degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50379852
(CHEMBL2011844)Show SMILES Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(N)ncnc2c1 Show InChI InChI=1S/C18H19N5O/c1-10-16-14(7-18(2,3)8-15(16)24)23(22-10)11-4-5-12-13(6-11)20-9-21-17(12)19/h4-6,9H,7-8H2,1-3H3,(H2,19,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.81E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc.
Curated by ChEMBL
| Assay Description Inhibition of HSP90-mediated Her2 degradation in human AU565 cells after 24 hrs by ELISA |
Bioorg Med Chem Lett 22: 2550-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.137 BindingDB Entry DOI: 10.7270/Q2WQ04TB |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50480371
(CHEMBL554288)Show SMILES Cc1cc2c(CC(C)(C)CC2=O)n1-c1ccc(C(N)=O)c(Nc2ccccc2)c1 Show InChI InChI=1S/C24H25N3O2/c1-15-11-19-21(13-24(2,3)14-22(19)28)27(15)17-9-10-18(23(25)29)20(12-17)26-16-7-5-4-6-8-16/h4-12,26H,13-14H2,1-3H3,(H2,25,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 in human AU565 cells assessed as Her2 degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50480378
(CHEMBL563608)Show SMILES Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc(C(N)=O)c(N[C@H]2CC[C@H](O)CC2)c1 |r,wU:22.23,wD:25.27,(2.14,2.41,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.35,-2,;-3.43,-.12,;-2.38,.77,;-1.03,1.55,;-1.03,2.79,;.3,.77,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.68,;3.35,-7.18,;4.53,-7.52,;2.46,-8.03,;4.09,-4.62,;5.57,-5.04,;6.68,-3.97,;6.3,-2.47,;7.41,-1.4,;8.89,-1.82,;9.77,-.96,;9.27,-3.32,;8.16,-4.39,;3.72,-3.12,)| Show InChI InChI=1S/C24H31N3O3/c1-14-13-27(20-11-24(2,3)12-21(29)22(14)20)16-6-9-18(23(25)30)19(10-16)26-15-4-7-17(28)8-5-15/h6,9-10,13,15,17,26,28H,4-5,7-8,11-12H2,1-3H3,(H2,25,30)/t15-,17- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 in human AU565 cells assessed as Her2 degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50379846
(CHEMBL2011848)Show SMILES CCCCOc1c(ccc2c(N)ncnc12)-n1cc(C)c2c1CC(C)(C)CC2=O Show InChI InChI=1S/C23H28N4O2/c1-5-6-9-29-21-16(8-7-15-20(21)25-13-26-22(15)24)27-12-14(2)19-17(27)10-23(3,4)11-18(19)28/h7-8,12-13H,5-6,9-11H2,1-4H3,(H2,24,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc.
Curated by ChEMBL
| Assay Description Inhibition of HSP90-mediated Her2 degradation in human SKBR3 cells after 24 hrs by ELISA |
Bioorg Med Chem Lett 22: 2550-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.137 BindingDB Entry DOI: 10.7270/Q2WQ04TB |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50379847
(CHEMBL2011849)Show SMILES CCCCNc1c(ccc2c(N)ncnc12)-n1cc(C)c2c1CC(C)(C)CC2=O Show InChI InChI=1S/C23H29N5O/c1-5-6-9-25-21-16(8-7-15-20(21)26-13-27-22(15)24)28-12-14(2)19-17(28)10-23(3,4)11-18(19)29/h7-8,12-13,25H,5-6,9-11H2,1-4H3,(H2,24,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc.
Curated by ChEMBL
| Assay Description Inhibition of HSP90-mediated Her2 degradation in human SKBR3 cells after 24 hrs by ELISA |
Bioorg Med Chem Lett 22: 2550-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.137 BindingDB Entry DOI: 10.7270/Q2WQ04TB |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50480393
(CHEMBL563500)Show SMILES CCc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(C(N)=O)c(N[C@H]2CC[C@H](O)CC2)c1 |r,wU:23.24,wD:26.28,(3.45,2.95,;2.24,2.7,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.35,-2,;-3.43,-.12,;-2.38,.77,;-1.03,1.55,;-1.03,2.79,;.3,.77,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.68,;3.35,-7.18,;4.53,-7.52,;2.46,-8.03,;4.09,-4.62,;5.57,-5.04,;6.68,-3.97,;6.3,-2.47,;7.41,-1.4,;8.89,-1.82,;9.77,-.96,;9.27,-3.32,;8.16,-4.39,;3.72,-3.12,)| Show InChI InChI=1S/C24H32N4O3/c1-4-18-22-20(12-24(2,3)13-21(22)30)28(27-18)15-7-10-17(23(25)31)19(11-15)26-14-5-8-16(29)9-6-14/h7,10-11,14,16,26,29H,4-6,8-9,12-13H2,1-3H3,(H2,25,31)/t14-,16- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 in human AU565 cells assessed as Her2 degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50379851
(CHEMBL2011842)Show InChI InChI=1S/C19H20N4O/c1-11-6-14-16(8-19(2,3)9-17(14)24)23(11)12-4-5-13-15(7-12)21-10-22-18(13)20/h4-7,10H,8-9H2,1-3H3,(H2,20,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.97E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc.
Curated by ChEMBL
| Assay Description Inhibition of HSP90-mediated Her2 degradation in human AU565 cells after 24 hrs by ELISA |
Bioorg Med Chem Lett 22: 2550-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.137 BindingDB Entry DOI: 10.7270/Q2WQ04TB |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50480370
(CHEMBL562929)Show SMILES CCCCNc1cc(ccc1C(N)=O)-n1c(C)cc2c1CC(C)(C)CC2=O Show InChI InChI=1S/C22H29N3O2/c1-5-6-9-24-18-11-15(7-8-16(18)21(23)27)25-14(2)10-17-19(25)12-22(3,4)13-20(17)26/h7-8,10-11,24H,5-6,9,12-13H2,1-4H3,(H2,23,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 in human AU565 cells assessed as Her2 degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50480369
(CHEMBL557479)Show SMILES CCCCCc1cc(ccc1C(N)=O)-n1c(C)cc2c1CC(C)(C)CC2=O Show InChI InChI=1S/C23H30N2O2/c1-5-6-7-8-16-12-17(9-10-18(16)22(24)27)25-15(2)11-19-20(25)13-23(3,4)14-21(19)26/h9-12H,5-8,13-14H2,1-4H3,(H2,24,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 in human AU565 cells assessed as Her2 degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50480368
(CHEMBL559642)Show SMILES CCCCOc1cc(ccc1C(N)=O)-n1c(C)cc2c1CC(C)(C)CC2=O Show InChI InChI=1S/C22H28N2O3/c1-5-6-9-27-20-11-15(7-8-16(20)21(23)26)24-14(2)10-17-18(24)12-22(3,4)13-19(17)25/h7-8,10-11H,5-6,9,12-13H2,1-4H3,(H2,23,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 in human AU565 cells assessed as Her2 degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50480392
(CHEMBL556391)Show SMILES COCCNc1cc(ccc1C(N)=O)-n1c(C)cc2c1CC(C)(C)CC2=O Show InChI InChI=1S/C21H27N3O3/c1-13-9-16-18(11-21(2,3)12-19(16)25)24(13)14-5-6-15(20(22)26)17(10-14)23-7-8-27-4/h5-6,9-10,23H,7-8,11-12H2,1-4H3,(H2,22,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 in human AU565 cells assessed as Her2 degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50480398
(CHEMBL560156)Show SMILES Cc1cc2c(CC(C)(C)CC2=O)n1-c1ccc(C(N)=O)c(Sc2ccccc2)c1 Show InChI InChI=1S/C24H24N2O2S/c1-15-11-19-20(13-24(2,3)14-21(19)27)26(15)16-9-10-18(23(25)28)22(12-16)29-17-7-5-4-6-8-17/h4-12H,13-14H2,1-3H3,(H2,25,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 in human AU565 cells assessed as Her2 degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50450704
(CHEMBL560895 | SNX-2112)Show SMILES CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)C(F)(F)F)C(=O)C1 |r,wU:18.18,wD:21.22,(-2.35,-2,;-2.38,-.77,;-3.43,-.12,;-1.03,-1.55,;.3,-.77,;.3,.77,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.68,;3.35,-7.18,;4.53,-7.52,;2.46,-8.03,;4.09,-4.62,;5.57,-5.04,;6.68,-3.97,;6.3,-2.47,;7.41,-1.4,;8.89,-1.82,;9.77,-.96,;9.27,-3.32,;8.16,-4.39,;3.72,-3.12,;2.24,2.7,;3.44,2.95,;1.41,3.61,;2.62,3.87,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,)| 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
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 in human AU565 cells assessed as Her2 degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50480394
(CHEMBL561019)Show SMILES CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)C(F)F)C(=O)C1 |r,wU:18.18,wD:21.22,(-3.43,-.12,;-2.38,-.77,;-2.35,-2,;-1.03,-1.55,;.3,-.77,;.3,.77,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.68,;3.35,-7.18,;4.53,-7.52,;2.46,-8.03,;4.09,-4.62,;5.57,-5.04,;6.68,-3.97,;6.3,-2.47,;7.41,-1.4,;8.89,-1.82,;9.77,-.96,;9.27,-3.32,;8.16,-4.39,;3.72,-3.12,;2.24,2.7,;3.45,2.95,;1.42,3.61,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,)| Show InChI InChI=1S/C23H28F2N4O3/c1-23(2)10-17-19(18(31)11-23)20(21(24)25)28-29(17)13-5-8-15(22(26)32)16(9-13)27-12-3-6-14(30)7-4-12/h5,8-9,12,14,21,27,30H,3-4,6-7,10-11H2,1-2H3,(H2,26,32)/t12-,14- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 in human AU565 cells assessed as Her2 degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50379858
(CHEMBL2011859)Show SMILES CCSc1cc(cc2nc(N)nc(N)c12)-n1cc(C)c2c1CC(C)(C)CC2=O Show InChI InChI=1S/C21H25N5OS/c1-5-28-16-7-12(6-13-18(16)19(22)25-20(23)24-13)26-10-11(2)17-14(26)8-21(3,4)9-15(17)27/h6-7,10H,5,8-9H2,1-4H3,(H4,22,23,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.68E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc.
Curated by ChEMBL
| Assay Description Inhibition of HSP90-mediated Her2 degradation in human AU565 cells after 24 hrs by ELISA |
Bioorg Med Chem Lett 22: 2550-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.137 BindingDB Entry DOI: 10.7270/Q2WQ04TB |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50379856
(CHEMBL2011857)Show SMILES CC1(C)Cc2c(c(nn2-c2ccc3c(N)ncnc3c2)C(F)(F)F)C(=O)C1 Show InChI InChI=1S/C18H16F3N5O/c1-17(2)6-12-14(13(27)7-17)15(18(19,20)21)25-26(12)9-3-4-10-11(5-9)23-8-24-16(10)22/h3-5,8H,6-7H2,1-2H3,(H2,22,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc.
Curated by ChEMBL
| Assay Description Inhibition of HSP90-mediated Her2 degradation in human AU565 cells after 24 hrs by ELISA |
Bioorg Med Chem Lett 22: 2550-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.137 BindingDB Entry DOI: 10.7270/Q2WQ04TB |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50379844
(CHEMBL2010814)Show SMILES Cc1cn(c2CC(C)(C)CC(=O)c12)-c1cc(F)c2c(N)ncnc2c1 Show InChI InChI=1S/C19H19FN4O/c1-10-8-24(14-6-19(2,3)7-15(25)16(10)14)11-4-12(20)17-13(5-11)22-9-23-18(17)21/h4-5,8-9H,6-7H2,1-3H3,(H2,21,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc.
Curated by ChEMBL
| Assay Description Inhibition of HSP90-mediated Her2 degradation in human SKBR3 cells after 24 hrs by ELISA |
Bioorg Med Chem Lett 22: 2550-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.137 BindingDB Entry DOI: 10.7270/Q2WQ04TB |
More data for this Ligand-Target Pair | |