Found 5 hits for monomerid = 50191364 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Heat Shock Protein 90 (Hsp90)
(Homo sapiens (Human)) | BDBM50191364
(17-((S)-amino-3,2-propanediol)-17-demethoxygeldana...)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)c2NCC(=O)CO |w:16.16,t:28| Show InChI InChI=1S/C31H45N3O10/c1-16-10-21-26(33-14-20(36)15-35)23(37)13-22(28(21)39)34-30(40)17(2)8-7-9-24(42-5)29(44-31(32)41)19(4)12-18(3)27(38)25(11-16)43-6/h7-9,12-13,16,18,24-25,27,29,33,35,37-39H,10-11,14-15H2,1-6H3,(H2,32,41)(H,34,40)/b9-7?,17-8?,19-12+/t16-,18+,24+,25+,27-,29+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 853 | n/a | n/a | n/a | n/a |
Infinity Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Upregulation of Hsp70 in SKOV3 cells |
J Med Chem 49: 4606-15 (2006)
Article DOI: 10.1021/jm0603116 BindingDB Entry DOI: 10.7270/Q2RX9CWC |
More data for this Ligand-Target Pair | |
Heat Shock Protein 90 (Hsp90)
(Homo sapiens (Human)) | BDBM50191364
(17-((S)-amino-3,2-propanediol)-17-demethoxygeldana...)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)c2NCC(=O)CO |w:16.16,t:28| Show InChI InChI=1S/C31H45N3O10/c1-16-10-21-26(33-14-20(36)15-35)23(37)13-22(28(21)39)34-30(40)17(2)8-7-9-24(42-5)29(44-31(32)41)19(4)12-18(3)27(38)25(11-16)43-6/h7-9,12-13,16,18,24-25,27,29,33,35,37-39H,10-11,14-15H2,1-6H3,(H2,32,41)(H,34,40)/b9-7?,17-8?,19-12+/t16-,18+,24+,25+,27-,29+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 140 | n/a | n/a | n/a | n/a |
Infinity Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Upregulation of Hsp70 in SKBR3 cells |
J Med Chem 49: 4606-15 (2006)
Article DOI: 10.1021/jm0603116 BindingDB Entry DOI: 10.7270/Q2RX9CWC |
More data for this Ligand-Target Pair | |
Heat Shock Protein 90 (Hsp90)
(Homo sapiens (Human)) | BDBM50191364
(17-((S)-amino-3,2-propanediol)-17-demethoxygeldana...)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)c2NCC(=O)CO |w:16.16,t:28| Show InChI InChI=1S/C31H45N3O10/c1-16-10-21-26(33-14-20(36)15-35)23(37)13-22(28(21)39)34-30(40)17(2)8-7-9-24(42-5)29(44-31(32)41)19(4)12-18(3)27(38)25(11-16)43-6/h7-9,12-13,16,18,24-25,27,29,33,35,37-39H,10-11,14-15H2,1-6H3,(H2,32,41)(H,34,40)/b9-7?,17-8?,19-12+/t16-,18+,24+,25+,27-,29+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 4.59E+3 | n/a | n/a | n/a | n/a |
Infinity Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Degradation of Her2 in SKOV3 cells |
J Med Chem 49: 4606-15 (2006)
Article DOI: 10.1021/jm0603116 BindingDB Entry DOI: 10.7270/Q2RX9CWC |
More data for this Ligand-Target Pair | |
Heat shock protein 90 beta
(Canis familiaris) | BDBM50191364
(17-((S)-amino-3,2-propanediol)-17-demethoxygeldana...)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)c2NCC(=O)CO |w:16.16,t:28| Show InChI InChI=1S/C31H45N3O10/c1-16-10-21-26(33-14-20(36)15-35)23(37)13-22(28(21)39)34-30(40)17(2)8-7-9-24(42-5)29(44-31(32)41)19(4)12-18(3)27(38)25(11-16)43-6/h7-9,12-13,16,18,24-25,27,29,33,35,37-39H,10-11,14-15H2,1-6H3,(H2,32,41)(H,34,40)/b9-7?,17-8?,19-12+/t16-,18+,24+,25+,27-,29+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 72 | n/a | n/a | n/a | n/a |
Infinity Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of BODIPY-AG binding to dog Grp94 |
J Med Chem 49: 4606-15 (2006)
Article DOI: 10.1021/jm0603116 BindingDB Entry DOI: 10.7270/Q2RX9CWC |
More data for this Ligand-Target Pair | |
Heat Shock Protein 90 (Hsp90)
(Homo sapiens (Human)) | BDBM50191364
(17-((S)-amino-3,2-propanediol)-17-demethoxygeldana...)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)c2NCC(=O)CO |w:16.16,t:28| Show InChI InChI=1S/C31H45N3O10/c1-16-10-21-26(33-14-20(36)15-35)23(37)13-22(28(21)39)34-30(40)17(2)8-7-9-24(42-5)29(44-31(32)41)19(4)12-18(3)27(38)25(11-16)43-6/h7-9,12-13,16,18,24-25,27,29,33,35,37-39H,10-11,14-15H2,1-6H3,(H2,32,41)(H,34,40)/b9-7?,17-8?,19-12+/t16-,18+,24+,25+,27-,29+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 141 | n/a | n/a | n/a | n/a |
Infinity Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Degradation of Her2 in SKBR3 cells |
J Med Chem 49: 4606-15 (2006)
Article DOI: 10.1021/jm0603116 BindingDB Entry DOI: 10.7270/Q2RX9CWC |
More data for this Ligand-Target Pair | |