Found 22 hits with Last Name = 'adam' and Initial = 'at' 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)) | BDBM50013689
(CHEMBL3264525)Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3ccccc3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r| Show InChI InChI=1S/C22H18O8/c23-13-8-15(24)14-10-19(30-22(28)11-4-2-1-3-5-11)21(29-18(14)9-13)12-6-16(25)20(27)17(26)7-12/h1-9,19,21,23-27H,10H2/t19-,21-/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
| n/a | n/a | 2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Montclair State University
Curated by ChEMBL
| Assay Description Inhibition of HSP90 (unknown origin) by luciferase refolding assay |
Bioorg Med Chem Lett 24: 2263-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.088 BindingDB Entry DOI: 10.7270/Q2RF5WK6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50013693
(CHEMBL3264529)Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)C3CCCCC3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r| Show InChI InChI=1S/C22H24O8/c23-13-8-15(24)14-10-19(30-22(28)11-4-2-1-3-5-11)21(29-18(14)9-13)12-6-16(25)20(27)17(26)7-12/h6-9,11,19,21,23-27H,1-5,10H2/t19-,21-/m1/s1 | 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 | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Montclair State University
Curated by ChEMBL
| Assay Description Inhibition of HSP90 (unknown origin) by luciferase refolding assay |
Bioorg Med Chem Lett 24: 2263-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.088 BindingDB Entry DOI: 10.7270/Q2RF5WK6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50236531
((-)-gallocatechin gallate | (2R,3S)-5,7-dihydroxy-...)Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Montclair State University
Curated by ChEMBL
| Assay Description Inhibition of HSP90 (unknown origin) by luciferase refolding assay |
Bioorg Med Chem Lett 24: 2263-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.088 BindingDB Entry DOI: 10.7270/Q2RF5WK6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50013710
(CHEMBL1923070)Show SMILES Oc1cc(cc(O)c1O)C(=O)O[C@@H]1Cc2ccccc2O[C@@H]1c1ccccc1 |r| Show InChI InChI=1S/C22H18O6/c23-16-10-15(11-17(24)20(16)25)22(26)28-19-12-14-8-4-5-9-18(14)27-21(19)13-6-2-1-3-7-13/h1-11,19,21,23-25H,12H2/t19-,21-/m1/s1 | 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 | 3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Montclair State University
Curated by ChEMBL
| Assay Description Inhibition of HSP90 (unknown origin) by luciferase refolding assay |
Bioorg Med Chem Lett 24: 2263-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.088 BindingDB Entry DOI: 10.7270/Q2RF5WK6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50013690
(CHEMBL3264526)Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3ccc(F)cc3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r| Show InChI InChI=1S/C22H17FO8/c23-12-3-1-10(2-4-12)22(29)31-19-9-14-15(25)7-13(24)8-18(14)30-21(19)11-5-16(26)20(28)17(27)6-11/h1-8,19,21,24-28H,9H2/t19-,21-/m1/s1 | 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 | 4.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Montclair State University
Curated by ChEMBL
| Assay Description Inhibition of HSP90 (unknown origin) by luciferase refolding assay |
Bioorg Med Chem Lett 24: 2263-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.088 BindingDB Entry DOI: 10.7270/Q2RF5WK6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50013695
(CHEMBL3264531)Show SMILES Oc1cc(O)c2C[C@@H](NS(=O)(=O)c3ccccc3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r| Show InChI InChI=1S/C21H19NO8S/c23-12-8-16(24)14-10-15(22-31(28,29)13-4-2-1-3-5-13)21(30-19(14)9-12)11-6-17(25)20(27)18(26)7-11/h1-9,15,21-27H,10H2/t15-,21-/m1/s1 | 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 | 4.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Montclair State University
Curated by ChEMBL
| Assay Description Inhibition of HSP90 (unknown origin) by luciferase refolding assay |
Bioorg Med Chem Lett 24: 2263-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.088 BindingDB Entry DOI: 10.7270/Q2RF5WK6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50013691
(CHEMBL3264527)Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3ccc(F)c(F)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r| Show InChI InChI=1S/C22H16F2O8/c23-13-2-1-9(3-14(13)24)22(30)32-19-8-12-15(26)6-11(25)7-18(12)31-21(19)10-4-16(27)20(29)17(28)5-10/h1-7,19,21,25-29H,8H2/t19-,21-/m1/s1 | 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 | 5.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Montclair State University
Curated by ChEMBL
| Assay Description Inhibition of HSP90 (unknown origin) by luciferase refolding assay |
Bioorg Med Chem Lett 24: 2263-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.088 BindingDB Entry DOI: 10.7270/Q2RF5WK6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50013709
(CHEMBL3264541)Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3ccccc3)[C@H](Oc2c1)c1ccccc1 |r| Show InChI InChI=1S/C22H18O5/c23-16-11-18(24)17-13-20(27-22(25)15-9-5-2-6-10-15)21(26-19(17)12-16)14-7-3-1-4-8-14/h1-12,20-21,23-24H,13H2/t20-,21-/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
| n/a | n/a | 6.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Montclair State University
Curated by ChEMBL
| Assay Description Inhibition of HSP90 (unknown origin) by luciferase refolding assay |
Bioorg Med Chem Lett 24: 2263-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.088 BindingDB Entry DOI: 10.7270/Q2RF5WK6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50013692
(CHEMBL3264528)Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3ccncc3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r| Show InChI InChI=1S/C21H17NO8/c23-12-7-14(24)13-9-18(30-21(28)10-1-3-22-4-2-10)20(29-17(13)8-12)11-5-15(25)19(27)16(26)6-11/h1-8,18,20,23-27H,9H2/t18-,20-/m1/s1 | 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 | 6.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Montclair State University
Curated by ChEMBL
| Assay Description Inhibition of HSP90 (unknown origin) by luciferase refolding assay |
Bioorg Med Chem Lett 24: 2263-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.088 BindingDB Entry DOI: 10.7270/Q2RF5WK6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50013700
(CHEMBL3264535)Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)[C@@H]3CC[C@H](F)CC3)[C@H](Oc2c1)c1ccc(O)c(O)c1 |r,wU:11.10,14.14,wD:18.24,7.7,(-.5,-47.41,;.84,-48.18,;.84,-49.73,;2.17,-50.5,;2.17,-52.04,;3.5,-49.73,;4.84,-50.51,;6.19,-49.73,;7.52,-50.51,;7.51,-52.05,;6.18,-52.81,;8.84,-52.82,;8.83,-54.36,;10.16,-55.13,;11.5,-54.37,;12.83,-55.14,;11.5,-52.82,;10.17,-52.05,;6.19,-48.18,;4.84,-47.4,;3.5,-48.18,;2.17,-47.41,;7.52,-47.41,;8.85,-48.19,;10.19,-47.43,;10.19,-45.89,;11.53,-45.12,;8.85,-45.11,;8.85,-43.57,;7.52,-45.88,)| Show InChI InChI=1S/C22H23FO7/c23-13-4-1-11(2-5-13)22(28)30-20-10-15-17(26)8-14(24)9-19(15)29-21(20)12-3-6-16(25)18(27)7-12/h3,6-9,11,13,20-21,24-27H,1-2,4-5,10H2/t11-,13+,20-,21-/m1/s1 | 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 | 6.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Montclair State University
Curated by ChEMBL
| Assay Description Inhibition of HSP90 (unknown origin) by luciferase refolding assay |
Bioorg Med Chem Lett 24: 2263-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.088 BindingDB Entry DOI: 10.7270/Q2RF5WK6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50013701
(CHEMBL3264536)Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)[C@H]3CC[C@H](F)CC3)[C@H](Oc2c1)c1ccc(O)c(O)c1 |r,wU:11.10,wD:18.24,7.7,14.14,(11.85,-47.98,;13.19,-48.75,;13.19,-50.29,;14.52,-51.07,;14.52,-52.61,;15.85,-50.3,;17.19,-51.07,;18.54,-50.3,;19.87,-51.08,;19.86,-52.62,;18.53,-53.38,;21.2,-53.39,;22.52,-52.62,;23.85,-53.39,;23.85,-54.94,;25.18,-55.71,;22.51,-55.7,;21.18,-54.93,;18.54,-48.75,;17.19,-47.96,;15.85,-48.74,;14.52,-47.98,;19.87,-47.98,;21.2,-48.76,;22.54,-48,;22.54,-46.45,;23.88,-45.69,;21.2,-45.68,;21.2,-44.14,;19.87,-46.45,)| Show InChI InChI=1S/C22H23FO7/c23-13-4-1-11(2-5-13)22(28)30-20-10-15-17(26)8-14(24)9-19(15)29-21(20)12-3-6-16(25)18(27)7-12/h3,6-9,11,13,20-21,24-27H,1-2,4-5,10H2/t11-,13-,20-,21-/m1/s1 | 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 | 6.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Montclair State University
Curated by ChEMBL
| Assay Description Inhibition of HSP90 (unknown origin) by luciferase refolding assay |
Bioorg Med Chem Lett 24: 2263-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.088 BindingDB Entry DOI: 10.7270/Q2RF5WK6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50013694
(CHEMBL3264530)Show SMILES Oc1cc(O)c2C[C@@H](NC(=O)c3ccccc3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r| Show InChI InChI=1S/C22H19NO7/c24-13-8-16(25)14-10-15(23-22(29)11-4-2-1-3-5-11)21(30-19(14)9-13)12-6-17(26)20(28)18(27)7-12/h1-9,15,21,24-28H,10H2,(H,23,29)/t15-,21-/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
| n/a | n/a | 7.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Montclair State University
Curated by ChEMBL
| Assay Description Inhibition of HSP90 (unknown origin) by luciferase refolding assay |
Bioorg Med Chem Lett 24: 2263-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.088 BindingDB Entry DOI: 10.7270/Q2RF5WK6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50013704
(CHEMBL3264537)Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)C3CCCCC3)[C@H](Oc2c1)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C22H24O7/c23-14-9-17(25)15-11-20(29-22(27)12-4-2-1-3-5-12)21(28-19(15)10-14)13-6-7-16(24)18(26)8-13/h6-10,12,20-21,23-26H,1-5,11H2/t20-,21-/m1/s1 | 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 | 8.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Montclair State University
Curated by ChEMBL
| Assay Description Inhibition of HSP90 (unknown origin) by luciferase refolding assay |
Bioorg Med Chem Lett 24: 2263-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.088 BindingDB Entry DOI: 10.7270/Q2RF5WK6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50013696
(CHEMBL3264532)Show SMILES Oc1cc(O)c2C[C@H](OC(=O)C3CCCCC3)[C@H](Oc2c1)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C22H24O7/c23-14-9-17(25)15-11-20(29-22(27)12-4-2-1-3-5-12)21(28-19(15)10-14)13-6-7-16(24)18(26)8-13/h6-10,12,20-21,23-26H,1-5,11H2/t20-,21+/m0/s1 | 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 | 9.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Montclair State University
Curated by ChEMBL
| Assay Description Inhibition of HSP90 (unknown origin) by luciferase refolding assay |
Bioorg Med Chem Lett 24: 2263-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.088 BindingDB Entry DOI: 10.7270/Q2RF5WK6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50013697
(CHEMBL3264533)Show SMILES Oc1cc(O)c2C[C@H](OC(=O)c3ccccc3)[C@H](Oc2c1)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C22H18O7/c23-14-9-17(25)15-11-20(29-22(27)12-4-2-1-3-5-12)21(28-19(15)10-14)13-6-7-16(24)18(26)8-13/h1-10,20-21,23-26H,11H2/t20-,21+/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
| n/a | n/a | 1.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Montclair State University
Curated by ChEMBL
| Assay Description Inhibition of HSP90 (unknown origin) by luciferase refolding assay |
Bioorg Med Chem Lett 24: 2263-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.088 BindingDB Entry DOI: 10.7270/Q2RF5WK6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50013713
(CHEMBL3264542)Show SMILES Oc1cc(O)c2C[C@H](OC(=O)c3ccccc3)[C@H](Oc2c1)c1ccccc1 |r| Show InChI InChI=1S/C22H18O5/c23-16-11-18(24)17-13-20(27-22(25)15-9-5-2-6-10-15)21(26-19(17)12-16)14-7-3-1-4-8-14/h1-12,20-21,23-24H,13H2/t20-,21+/m0/s1 | 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 | 1.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Montclair State University
Curated by ChEMBL
| Assay Description Inhibition of HSP90 (unknown origin) by luciferase refolding assay |
Bioorg Med Chem Lett 24: 2263-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.088 BindingDB Entry DOI: 10.7270/Q2RF5WK6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50013714
(CHEMBL3264543)Show SMILES Oc1cc(O)c2C[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1ccccc1 |r| Show InChI InChI=1S/C22H18O8/c23-13-8-15(24)14-10-19(21(29-18(14)9-13)11-4-2-1-3-5-11)30-22(28)12-6-16(25)20(27)17(26)7-12/h1-9,19,21,23-27H,10H2/t19-,21+/m0/s1 | 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 | 1.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Montclair State University
Curated by ChEMBL
| Assay Description Inhibition of HSP90 (unknown origin) by luciferase refolding assay |
Bioorg Med Chem Lett 24: 2263-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.088 BindingDB Entry DOI: 10.7270/Q2RF5WK6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50070942
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r| Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.55E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Montclair State University
Curated by ChEMBL
| Assay Description Inhibition of HSP90 (unknown origin) by luciferase refolding assay |
Bioorg Med Chem Lett 24: 2263-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.088 BindingDB Entry DOI: 10.7270/Q2RF5WK6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50013699
(CHEMBL3264534)Show SMILES O[C@H]1CC[C@H](CC1)C(=O)O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r,wU:10.10,4.7,1.0,wD:21.24,(60.47,-41.94,;59.14,-41.17,;57.8,-41.94,;56.47,-41.16,;56.48,-39.62,;57.81,-38.85,;59.14,-39.62,;55.15,-38.85,;53.82,-39.62,;55.16,-37.31,;53.82,-36.54,;52.48,-37.31,;51.14,-36.53,;49.81,-37.3,;49.81,-38.84,;48.47,-36.53,;48.48,-34.98,;47.14,-34.21,;49.8,-34.21,;51.14,-34.98,;52.48,-34.2,;53.83,-34.98,;55.16,-34.21,;56.49,-35,;57.83,-34.23,;57.83,-32.69,;59.17,-31.92,;56.49,-31.92,;56.49,-30.38,;55.16,-32.69,)| Show InChI InChI=1S/C22H24O8/c23-13-4-1-11(2-5-13)22(28)30-20-10-15-17(26)8-14(24)9-19(15)29-21(20)12-3-6-16(25)18(27)7-12/h3,6-9,11,13,20-21,23-27H,1-2,4-5,10H2/t11-,13+,20-,21+/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
| n/a | n/a | 2.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Montclair State University
Curated by ChEMBL
| Assay Description Inhibition of HSP90 (unknown origin) by luciferase refolding assay |
Bioorg Med Chem Lett 24: 2263-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.088 BindingDB Entry DOI: 10.7270/Q2RF5WK6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50013705
(CHEMBL3264538)Show SMILES O[C@H]1CC[C@H](CC1)C(=O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r,wU:4.7,1.0,wD:21.24,10.10,(52.18,-55.64,;50.85,-54.87,;49.51,-55.64,;48.18,-54.86,;48.19,-53.33,;49.52,-52.56,;50.85,-53.32,;46.86,-52.55,;45.52,-53.32,;46.86,-51.01,;45.53,-50.24,;44.18,-51.01,;42.85,-50.23,;41.52,-51,;41.52,-52.54,;40.18,-50.23,;40.18,-48.69,;38.85,-47.92,;41.51,-47.92,;42.85,-48.68,;44.19,-47.9,;45.53,-48.68,;46.87,-47.92,;48.2,-48.7,;49.53,-47.93,;49.54,-46.39,;50.87,-45.62,;48.2,-45.62,;48.2,-44.08,;46.87,-46.39,)| Show InChI InChI=1S/C22H24O8/c23-13-4-1-11(2-5-13)22(28)30-20-10-15-17(26)8-14(24)9-19(15)29-21(20)12-3-6-16(25)18(27)7-12/h3,6-9,11,13,20-21,23-27H,1-2,4-5,10H2/t11-,13+,20-,21-/m1/s1 | 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 | 3.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Montclair State University
Curated by ChEMBL
| Assay Description Inhibition of HSP90 (unknown origin) by luciferase refolding assay |
Bioorg Med Chem Lett 24: 2263-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.088 BindingDB Entry DOI: 10.7270/Q2RF5WK6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50013708
(CHEMBL3264540)Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)C3CC3)[C@H](Oc2c1)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C19H18O7/c20-11-6-14(22)12-8-17(26-19(24)9-1-2-9)18(25-16(12)7-11)10-3-4-13(21)15(23)5-10/h3-7,9,17-18,20-23H,1-2,8H2/t17-,18-/m1/s1 | 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 | 4.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Montclair State University
Curated by ChEMBL
| Assay Description Inhibition of HSP90 (unknown origin) by luciferase refolding assay |
Bioorg Med Chem Lett 24: 2263-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.088 BindingDB Entry DOI: 10.7270/Q2RF5WK6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50013707
(CHEMBL3264539)Show SMILES O[C@H]1CC[C@@H](CC1)C(=O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r,wU:4.7,wD:21.24,10.10,1.0,(67.59,-55.41,;66.26,-54.64,;66.25,-53.09,;64.92,-52.32,;63.6,-53.09,;63.59,-54.63,;64.92,-55.41,;62.27,-52.32,;60.93,-53.09,;62.27,-50.78,;60.94,-50.01,;59.59,-50.78,;58.25,-50,;56.92,-50.77,;56.92,-52.31,;55.59,-50,;55.59,-48.45,;54.26,-47.68,;56.92,-47.68,;58.26,-48.45,;59.6,-47.67,;60.94,-48.45,;62.28,-47.68,;63.61,-48.47,;64.94,-47.7,;64.95,-46.16,;66.28,-45.39,;63.61,-45.39,;63.6,-43.85,;62.28,-46.16,)| Show InChI InChI=1S/C22H24O8/c23-13-4-1-11(2-5-13)22(28)30-20-10-15-17(26)8-14(24)9-19(15)29-21(20)12-3-6-16(25)18(27)7-12/h3,6-9,11,13,20-21,23-27H,1-2,4-5,10H2/t11-,13-,20-,21-/m1/s1 | 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 | 4.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Montclair State University
Curated by ChEMBL
| Assay Description Inhibition of HSP90 (unknown origin) by luciferase refolding assay |
Bioorg Med Chem Lett 24: 2263-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.088 BindingDB Entry DOI: 10.7270/Q2RF5WK6 |
More data for this Ligand-Target Pair | |