Found 19 hits Enz. Inhib. hit(s) with all data for entry = 50005551 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)) | BDBM50492754
(CHEMBL2413568)Show SMILES O=C(c1ccccc1)c1ccc(Cn2cc(COCc3cn(Cc4ccc(cc4)C(=O)c4ccccc4)nn3)nn2)cc1 Show InChI InChI=1S/C34H28N6O3/c41-33(27-7-3-1-4-8-27)29-15-11-25(12-16-29)19-39-21-31(35-37-39)23-43-24-32-22-40(38-36-32)20-26-13-17-30(18-14-26)34(42)28-9-5-2-6-10-28/h1-18,21-22H,19-20,23-24H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Salerno
Curated by ChEMBL
| Assay Description Inhibition of human Hsp90 ATPase activity assessed as inhibition of ATP hydrolysis after 60 mins by fluorimetric analysis |
Eur J Med Chem 65: 464-76 (2013)
Article DOI: 10.1016/j.ejmech.2013.05.016 BindingDB Entry DOI: 10.7270/Q2P2721F |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50492753
(CHEMBL2413570)Show SMILES O=C1N(CCCn2cc(COCc3cn(CCCN4C(=O)c5ccccc5C4=O)nn3)nn2)C(=O)c2ccccc12 Show InChI InChI=1S/C28H26N8O5/c37-25-21-7-1-2-8-22(21)26(38)35(25)13-5-11-33-15-19(29-31-33)17-41-18-20-16-34(32-30-20)12-6-14-36-27(39)23-9-3-4-10-24(23)28(36)40/h1-4,7-10,15-16H,5-6,11-14,17-18H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Salerno
Curated by ChEMBL
| Assay Description Inhibition of human Hsp90 ATPase activity assessed as inhibition of ATP hydrolysis after 60 mins by fluorimetric analysis |
Eur J Med Chem 65: 464-76 (2013)
Article DOI: 10.1016/j.ejmech.2013.05.016 BindingDB Entry DOI: 10.7270/Q2P2721F |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50492759
(CHEMBL2413569)Show SMILES O=C1c2ccccc2C(=O)c2cc(Cn3cc(COCc4cn(Cc5ccc6C(=O)c7ccccc7C(=O)c6c5)nn4)nn3)ccc12 Show InChI InChI=1S/C36H24N6O5/c43-33-25-5-1-3-7-27(25)35(45)31-13-21(9-11-29(31)33)15-41-17-23(37-39-41)19-47-20-24-18-42(40-38-24)16-22-10-12-30-32(14-22)36(46)28-8-4-2-6-26(28)34(30)44/h1-14,17-18H,15-16,19-20H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Salerno
Curated by ChEMBL
| Assay Description Inhibition of human Hsp90 ATPase activity assessed as inhibition of ATP hydrolysis after 60 mins by fluorimetric analysis |
Eur J Med Chem 65: 464-76 (2013)
Article DOI: 10.1016/j.ejmech.2013.05.016 BindingDB Entry DOI: 10.7270/Q2P2721F |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50492762
(CHEMBL2413565)Show SMILES C(N(Cc1cn(Cc2ccc3ccccc3c2)nn1)Cc1cn(Cc2ccc3ccccc3c2)nn1)c1cn(Cc2ccc3ccccc3c2)nn1 Show InChI InChI=1S/C42H36N10/c1-4-10-37-19-31(13-16-34(37)7-1)22-50-28-40(43-46-50)25-49(26-41-29-51(47-44-41)23-32-14-17-35-8-2-5-11-38(35)20-32)27-42-30-52(48-45-42)24-33-15-18-36-9-3-6-12-39(36)21-33/h1-21,28-30H,22-27H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank 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 |
University of Salerno
Curated by ChEMBL
| Assay Description Inhibition of human Hsp90 ATPase activity assessed as inhibition of ATP hydrolysis after 60 mins by fluorimetric analysis |
Eur J Med Chem 65: 464-76 (2013)
Article DOI: 10.1016/j.ejmech.2013.05.016 BindingDB Entry DOI: 10.7270/Q2P2721F |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50492755
(CHEMBL2413587)Show SMILES C(CCc1cn(Cc2ccc3ccccc3c2)nn1)Cc1cn(Cc2ccc3ccccc3c2)nn1 Show InChI InChI=1S/C30H28N6/c1-3-9-27-17-23(13-15-25(27)7-1)19-35-21-29(31-33-35)11-5-6-12-30-22-36(34-32-30)20-24-14-16-26-8-2-4-10-28(26)18-24/h1-4,7-10,13-18,21-22H,5-6,11-12,19-20H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Salerno
Curated by ChEMBL
| Assay Description Inhibition of human Hsp90 ATPase activity assessed as inhibition of ATP hydrolysis after 60 mins by fluorimetric analysis |
Eur J Med Chem 65: 464-76 (2013)
Article DOI: 10.1016/j.ejmech.2013.05.016 BindingDB Entry DOI: 10.7270/Q2P2721F |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50492760
(CHEMBL2413586)Show SMILES C(CCc1cn(Cc2cccc3ccccc23)nn1)Cc1cn(Cc2cccc3ccccc23)nn1 Show InChI InChI=1S/C30H28N6/c1-5-17-29-23(9-1)11-7-13-25(29)19-35-21-27(31-33-35)15-3-4-16-28-22-36(34-32-28)20-26-14-8-12-24-10-2-6-18-30(24)26/h1-2,5-14,17-18,21-22H,3-4,15-16,19-20H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 191 | n/a | n/a | n/a | n/a | n/a |
University of Salerno
Curated by ChEMBL
| Assay Description Binding affinity to human Hsp90 by surface plasmon resonance analysis |
Eur J Med Chem 65: 464-76 (2013)
Article DOI: 10.1016/j.ejmech.2013.05.016 BindingDB Entry DOI: 10.7270/Q2P2721F |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50492765
(CHEMBL2413579)Show SMILES O=C(c1ccccc1)c1ccc(Cn2cc(CN(Cc3cn(Cc4ccc(cc4)C(=O)c4ccccc4)nn3)Cc3cn(Cc4ccc(cc4)C(=O)c4ccccc4)nn3)nn2)cc1 Show InChI InChI=1S/C51H42N10O3/c62-49(40-10-4-1-5-11-40)43-22-16-37(17-23-43)28-59-34-46(52-55-59)31-58(32-47-35-60(56-53-47)29-38-18-24-44(25-19-38)50(63)41-12-6-2-7-13-41)33-48-36-61(57-54-48)30-39-20-26-45(27-21-39)51(64)42-14-8-3-9-15-42/h1-27,34-36H,28-33H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 151 | n/a | n/a | n/a | n/a | n/a |
University of Salerno
Curated by ChEMBL
| Assay Description Binding affinity to human Hsp90 by surface plasmon resonance analysis |
Eur J Med Chem 65: 464-76 (2013)
Article DOI: 10.1016/j.ejmech.2013.05.016 BindingDB Entry DOI: 10.7270/Q2P2721F |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50492753
(CHEMBL2413570)Show SMILES O=C1N(CCCn2cc(COCc3cn(CCCN4C(=O)c5ccccc5C4=O)nn3)nn2)C(=O)c2ccccc12 Show InChI InChI=1S/C28H26N8O5/c37-25-21-7-1-2-8-22(21)26(38)35(25)13-5-11-33-15-19(29-31-33)17-41-18-20-16-34(32-30-20)12-6-14-36-27(39)23-9-3-4-10-24(23)28(36)40/h1-4,7-10,15-16H,5-6,11-14,17-18H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a |
University of Salerno
Curated by ChEMBL
| Assay Description Binding affinity to human Hsp90 by surface plasmon resonance analysis |
Eur J Med Chem 65: 464-76 (2013)
Article DOI: 10.1016/j.ejmech.2013.05.016 BindingDB Entry DOI: 10.7270/Q2P2721F |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50492762
(CHEMBL2413565)Show SMILES C(N(Cc1cn(Cc2ccc3ccccc3c2)nn1)Cc1cn(Cc2ccc3ccccc3c2)nn1)c1cn(Cc2ccc3ccccc3c2)nn1 Show InChI InChI=1S/C42H36N10/c1-4-10-37-19-31(13-16-34(37)7-1)22-50-28-40(43-46-50)25-49(26-41-29-51(47-44-41)23-32-14-17-35-8-2-5-11-38(35)20-32)27-42-30-52(48-45-42)24-33-15-18-36-9-3-6-12-39(36)21-33/h1-21,28-30H,22-27H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a |
University of Salerno
Curated by ChEMBL
| Assay Description Binding affinity to human Hsp90 by surface plasmon resonance analysis |
Eur J Med Chem 65: 464-76 (2013)
Article DOI: 10.1016/j.ejmech.2013.05.016 BindingDB Entry DOI: 10.7270/Q2P2721F |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM227589
(Radicicol)Show SMILES C[C@@H]1C[C@H]2O[C@@H]2\C=C/C=C/C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 |r,c:7,t:9| Show InChI InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/b4-2+,5-3-/t9-,14-,15-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a |
University of Salerno
Curated by ChEMBL
| Assay Description Binding affinity to human Hsp90 by surface plasmon resonance analysis |
Eur J Med Chem 65: 464-76 (2013)
Article DOI: 10.1016/j.ejmech.2013.05.016 BindingDB Entry DOI: 10.7270/Q2P2721F |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50492763
(CHEMBL2413573)Show SMILES C(OCc1cn(Cc2ccc(cc2)-c2ccccc2)nn1)c1cn(Cc2ccc(cc2)-c2ccccc2)nn1 Show InChI InChI=1S/C32H28N6O/c1-3-7-27(8-4-1)29-15-11-25(12-16-29)19-37-21-31(33-35-37)23-39-24-32-22-38(36-34-32)20-26-13-17-30(18-14-26)28-9-5-2-6-10-28/h1-18,21-22H,19-20,23-24H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 237 | n/a | n/a | n/a | n/a | n/a |
University of Salerno
Curated by ChEMBL
| Assay Description Binding affinity to human Hsp90 by surface plasmon resonance analysis |
Eur J Med Chem 65: 464-76 (2013)
Article DOI: 10.1016/j.ejmech.2013.05.016 BindingDB Entry DOI: 10.7270/Q2P2721F |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50492754
(CHEMBL2413568)Show SMILES O=C(c1ccccc1)c1ccc(Cn2cc(COCc3cn(Cc4ccc(cc4)C(=O)c4ccccc4)nn3)nn2)cc1 Show InChI InChI=1S/C34H28N6O3/c41-33(27-7-3-1-4-8-27)29-15-11-25(12-16-29)19-39-21-31(35-37-39)23-43-24-32-22-40(38-36-32)20-26-13-17-30(18-14-26)34(42)28-9-5-2-6-10-28/h1-18,21-22H,19-20,23-24H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a |
University of Salerno
Curated by ChEMBL
| Assay Description Binding affinity to human Hsp90 by surface plasmon resonance analysis |
Eur J Med Chem 65: 464-76 (2013)
Article DOI: 10.1016/j.ejmech.2013.05.016 BindingDB Entry DOI: 10.7270/Q2P2721F |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50492764
(CHEMBL2413571)Show SMILES C(OCc1cn(Cc2cccc3ccccc23)nn1)c1cn(Cc2cccc3ccccc23)nn1 Show InChI InChI=1S/C28H24N6O/c1-3-13-27-21(7-1)9-5-11-23(27)15-33-17-25(29-31-33)19-35-20-26-18-34(32-30-26)16-24-12-6-10-22-8-2-4-14-28(22)24/h1-14,17-18H,15-16,19-20H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a |
University of Salerno
Curated by ChEMBL
| Assay Description Binding affinity to human Hsp90 by surface plasmon resonance analysis |
Eur J Med Chem 65: 464-76 (2013)
Article DOI: 10.1016/j.ejmech.2013.05.016 BindingDB Entry DOI: 10.7270/Q2P2721F |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50492755
(CHEMBL2413587)Show SMILES C(CCc1cn(Cc2ccc3ccccc3c2)nn1)Cc1cn(Cc2ccc3ccccc3c2)nn1 Show InChI InChI=1S/C30H28N6/c1-3-9-27-17-23(13-15-25(27)7-1)19-35-21-29(31-33-35)11-5-6-12-30-22-36(34-32-30)20-24-14-16-26-8-2-4-10-28(26)18-24/h1-4,7-10,13-18,21-22H,5-6,11-12,19-20H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 84 | n/a | n/a | n/a | n/a | n/a |
University of Salerno
Curated by ChEMBL
| Assay Description Binding affinity to human Hsp90 by surface plasmon resonance analysis |
Eur J Med Chem 65: 464-76 (2013)
Article DOI: 10.1016/j.ejmech.2013.05.016 BindingDB Entry DOI: 10.7270/Q2P2721F |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50492759
(CHEMBL2413569)Show SMILES O=C1c2ccccc2C(=O)c2cc(Cn3cc(COCc4cn(Cc5ccc6C(=O)c7ccccc7C(=O)c6c5)nn4)nn3)ccc12 Show InChI InChI=1S/C36H24N6O5/c43-33-25-5-1-3-7-27(25)35(45)31-13-21(9-11-29(31)33)15-41-17-23(37-39-41)19-47-20-24-18-42(40-38-24)16-22-10-12-30-32(14-22)36(46)28-8-4-2-6-26(28)34(30)44/h1-14,17-18H,15-16,19-20H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a |
University of Salerno
Curated by ChEMBL
| Assay Description Binding affinity to human Hsp90 by surface plasmon resonance analysis |
Eur J Med Chem 65: 464-76 (2013)
Article DOI: 10.1016/j.ejmech.2013.05.016 BindingDB Entry DOI: 10.7270/Q2P2721F |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50492758
(CHEMBL2413580)Show SMILES O=C1c2ccccc2C(=O)c2cc(Cn3cc(CN(Cc4cn(Cc5ccc6C(=O)c7ccccc7C(=O)c6c5)nn4)Cc4cn(Cc5ccc6C(=O)c7ccccc7C(=O)c6c5)nn4)nn3)ccc12 Show InChI InChI=1S/C54H36N10O6/c65-49-37-7-1-4-10-40(37)52(68)46-19-31(13-16-43(46)49)22-62-28-34(55-58-62)25-61(26-35-29-63(59-56-35)23-32-14-17-44-47(20-32)53(69)41-11-5-2-8-38(41)50(44)66)27-36-30-64(60-57-36)24-33-15-18-45-48(21-33)54(70)42-12-6-3-9-39(42)51(45)67/h1-21,28-30H,22-27H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 107 | n/a | n/a | n/a | n/a | n/a |
University of Salerno
Curated by ChEMBL
| Assay Description Binding affinity to human Hsp90 by surface plasmon resonance analysis |
Eur J Med Chem 65: 464-76 (2013)
Article DOI: 10.1016/j.ejmech.2013.05.016 BindingDB Entry DOI: 10.7270/Q2P2721F |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50492757
(CHEMBL2413581)Show SMILES O=C1N(CCCn2cc(CN(Cc3cn(CCCN4C(=O)c5ccccc5C4=O)nn3)Cc3cn(CCCN4C(=O)c5ccccc5C4=O)nn3)nn2)C(=O)c2ccccc12 Show InChI InChI=1S/C42H39N13O6/c56-37-31-10-1-2-11-32(31)38(57)53(37)19-7-16-50-25-28(43-46-50)22-49(23-29-26-51(47-44-29)17-8-20-54-39(58)33-12-3-4-13-34(33)40(54)59)24-30-27-52(48-45-30)18-9-21-55-41(60)35-14-5-6-15-36(35)42(55)61/h1-6,10-15,25-27H,7-9,16-24H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 89 | n/a | n/a | n/a | n/a | n/a |
University of Salerno
Curated by ChEMBL
| Assay Description Binding affinity to human Hsp90 by surface plasmon resonance analysis |
Eur J Med Chem 65: 464-76 (2013)
Article DOI: 10.1016/j.ejmech.2013.05.016 BindingDB Entry DOI: 10.7270/Q2P2721F |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50492756
(CHEMBL2413566)Show SMILES C(N(Cc1cn(Cc2ccc(cc2)-c2ccccc2)nn1)Cc1cn(Cc2ccc(cc2)-c2ccccc2)nn1)c1cn(Cc2ccc(cc2)-c2ccccc2)nn1 Show InChI InChI=1S/C48H42N10/c1-4-10-40(11-5-1)43-22-16-37(17-23-43)28-56-34-46(49-52-56)31-55(32-47-35-57(53-50-47)29-38-18-24-44(25-19-38)41-12-6-2-7-13-41)33-48-36-58(54-51-48)30-39-20-26-45(27-21-39)42-14-8-3-9-15-42/h1-27,34-36H,28-33H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a |
University of Salerno
Curated by ChEMBL
| Assay Description Binding affinity to human Hsp90 by surface plasmon resonance analysis |
Eur J Med Chem 65: 464-76 (2013)
Article DOI: 10.1016/j.ejmech.2013.05.016 BindingDB Entry DOI: 10.7270/Q2P2721F |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50492761
(CHEMBL2413582)Show SMILES C(N(Cc1cn(Cc2cccc3ccccc23)nn1)Cc1cn(Cc2cccc3ccccc23)nn1)c1cn(Cc2cccc3ccccc23)nn1 Show InChI InChI=1S/C42H36N10/c1-4-19-40-31(10-1)13-7-16-34(40)22-50-28-37(43-46-50)25-49(26-38-29-51(47-44-38)23-35-17-8-14-32-11-2-5-20-41(32)35)27-39-30-52(48-45-39)24-36-18-9-15-33-12-3-6-21-42(33)36/h1-21,28-30H,22-27H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
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University of Salerno
Curated by ChEMBL
| Assay Description Binding affinity to human Hsp90 by surface plasmon resonance analysis |
Eur J Med Chem 65: 464-76 (2013)
Article DOI: 10.1016/j.ejmech.2013.05.016 BindingDB Entry DOI: 10.7270/Q2P2721F |
More data for this Ligand-Target Pair | |