Found 19 hits of Enzyme Inhibition Constant Data 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
(Homo sapiens (Human)) | BDBM50173905
(CHEMBL370418 | Geldanamycin derivative)Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(=O)NO)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N1CCC1 |w:6.6,16.16,t:29| Show InChI InChI=1S/C31H43N3O9/c1-17-13-21-26(34-11-8-12-34)23(35)16-22(28(21)37)32-30(38)18(2)9-7-10-24(41-5)29(43-31(39)33-40)20(4)15-19(3)27(36)25(14-17)42-6/h7,9-10,13,15-16,19,24-25,27,29,35-37,40H,8,11-12,14H2,1-6H3,(H,32,38)(H,33,39)/b10-7?,17-13?,18-9?,20-15+/t19-,24-,25-,27+,29-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a |
Kosan Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human heat shock protein 90 in scintillation proximity assay |
Bioorg Med Chem Lett 15: 5016-21 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.013
BindingDB Entry DOI: 10.7270/Q23T9J19 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50173910
(1H-Pyrrole-2-carboxylic acid (E)-(8R,10R,15S,20S)-...)Show SMILES CO[C@H]1CC(C)=Cc2c(N)c(O)cc(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(=O)c3ccc[nH]3)\C(C)=C\[C@H](C)[C@H]1O)c2O |w:6.6,19.19,t:36| Show InChI InChI=1S/C32H41N3O8/c1-17-13-21-27(33)24(36)16-23(29(21)38)35-31(39)18(2)9-7-11-25(41-5)30(43-32(40)22-10-8-12-34-22)20(4)15-19(3)28(37)26(14-17)42-6/h7-13,15-16,19,25-26,28,30,34,36-38H,14,33H2,1-6H3,(H,35,39)/b11-7?,17-13?,18-9?,20-15+/t19-,25-,26-,28+,30-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a |
Kosan Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human heat shock protein 90 in scintillation proximity assay |
Bioorg Med Chem Lett 15: 5016-21 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.013
BindingDB Entry DOI: 10.7270/Q23T9J19 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50030868
((8S,9S,12S,13R,14S,16R)-19-amino-13-hydroxy-8,14-d...)Show SMILES CO[C@H]1CC(C)=Cc2c(N)c(O)cc(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)c2O |r,w:20.19,17.17,6.6,t:31| Show InChI InChI=1S/C28H39N3O8/c1-14-10-18-23(29)20(32)13-19(25(18)34)31-27(35)15(2)8-7-9-21(37-5)26(39-28(30)36)17(4)12-16(3)24(33)22(11-14)38-6/h7-10,12-13,16,21-22,24,26,32-34H,11,29H2,1-6H3,(H2,30,36)(H,31,35)/b9-7?,14-10?,15-8?,17-12+/t16-,21-,22-,24+,26-/m0/s1 | PDB
MMDB
NCI pathway
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 | n/a | 100 | n/a | n/a | n/a | n/a | n/a |
Kosan Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human heat shock protein 90 in scintillation proximity assay |
Bioorg Med Chem Lett 15: 5016-21 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.013
BindingDB Entry DOI: 10.7270/Q23T9J19 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50173903
(CHEMBL197795 | Methyl-carbamic acid (4E,6Z)-(13S,1...)Show SMILES CNC(=O)O[C@@H]1[C@@H](OC)C=CC=C(C)C(=O)Nc2cc(O)c(N=CCN(C)C)c(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)\C=C1/C)c2O |w:11.10,23.23,t:40| Show InChI InChI=1S/C33H50N4O8/c1-19-15-23-28(35-13-14-37(6)7)25(38)18-24(30(23)40)36-32(41)20(2)11-10-12-26(43-8)31(45-33(42)34-5)22(4)17-21(3)29(39)27(16-19)44-9/h10-13,17-19,21,26-27,29,31,38-40H,14-16H2,1-9H3,(H,34,42)(H,36,41)/b12-10?,20-11?,22-17+,35-13?/t19-,21+,26+,27+,29-,31+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a |
Kosan Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human heat shock protein 90 in scintillation proximity assay |
Bioorg Med Chem Lett 15: 5016-21 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.013
BindingDB Entry DOI: 10.7270/Q23T9J19 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50173911
(CHEMBL198417 | Geldanamycin derivative)Show SMILES CONC(=O)O[C@@H]1[C@@H](OC)C=CC=C(C)C(=O)Nc2cc(O)c(N=CCN(C)C)c(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)\C=C1/C)c2O |w:12.11,24.24,t:41| Show InChI InChI=1S/C33H50N4O9/c1-19-15-23-28(34-13-14-37(5)6)25(38)18-24(30(23)40)35-32(41)20(2)11-10-12-26(43-7)31(46-33(42)36-45-9)22(4)17-21(3)29(39)27(16-19)44-8/h10-13,17-19,21,26-27,29,31,38-40H,14-16H2,1-9H3,(H,35,41)(H,36,42)/b12-10?,20-11?,22-17+,34-13?/t19-,21+,26+,27+,29-,31+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a |
Kosan Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human heat shock protein 90 in scintillation proximity assay |
Bioorg Med Chem Lett 15: 5016-21 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.013
BindingDB Entry DOI: 10.7270/Q23T9J19 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50173902
((4E,6E)-(15S,16S,19R,21S)-21-(2-Dimethylamino-ethy...)Show SMILES CO[C@@H]1[C@H]2OC(=O)N=C1CC=C(C)C(=O)Nc1cc(O)c(N=CCN(C)C)c(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)\C=C2/C)c1O |w:10.10,22.23,c:7,t:40| Show InChI InChI=1S/C32H46N4O8/c1-17-13-21-26(33-11-12-36(5)6)24(37)16-23(28(21)39)34-31(40)18(2)9-10-22-30(43-8)29(44-32(41)35-22)20(4)15-19(3)27(38)25(14-17)42-7/h9,11,15-17,19,25,27,29-30,37-39H,10,12-14H2,1-8H3,(H,34,40)/b18-9?,20-15+,33-11?/t17-,19+,25+,27-,29+,30+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a |
Kosan Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human heat shock protein 90 in scintillation proximity assay |
Bioorg Med Chem Lett 15: 5016-21 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.013
BindingDB Entry DOI: 10.7270/Q23T9J19 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50173899
(CHEMBL197570 | Carbamoylmethyl-carbamic acid (4E,6...)Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(=O)NCC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CCN(C)C |w:16.16,43.45,t:32| Show InChI InChI=1S/C34H51N5O9/c1-19-14-23-29(36-12-13-39(5)6)25(40)17-24(31(23)43)38-33(44)20(2)10-9-11-26(46-7)32(48-34(45)37-18-28(35)41)22(4)16-21(3)30(42)27(15-19)47-8/h9-12,16-17,19,21,26-27,30,32,40,42-43H,13-15,18H2,1-8H3,(H2,35,41)(H,37,45)(H,38,44)/b11-9?,20-10?,22-16+,36-12?/t19-,21+,26+,27+,30-,32+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a |
Kosan Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human heat shock protein 90 in scintillation proximity assay |
Bioorg Med Chem Lett 15: 5016-21 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.013
BindingDB Entry DOI: 10.7270/Q23T9J19 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50173900
(CHEMBL371283 | Hydrazinecarboxylic acid (4E,6Z)-(1...)Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(O)=NN)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CCF |w:16.16,26.26,40.42,t:29| Show InChI InChI=1S/C30H43FN4O8/c1-16-12-20-25(33-11-10-31)22(36)15-21(27(20)38)34-29(39)17(2)8-7-9-23(41-5)28(43-30(40)35-32)19(4)14-18(3)26(37)24(13-16)42-6/h7-9,11,14-16,18,23-24,26,28,36-38H,10,12-13,32H2,1-6H3,(H,34,39)(H,35,40)/b9-7?,17-8?,19-14+,33-11?/t16-,18+,23+,24+,26-,28+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a |
Kosan Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human heat shock protein 90 in scintillation proximity assay |
Bioorg Med Chem Lett 15: 5016-21 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.013
BindingDB Entry DOI: 10.7270/Q23T9J19 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50173901
(CHEMBL370404 | Geldanamycin derivative)Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(=O)NO)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CCN(C)C |w:16.16,40.42,t:29| Show InChI InChI=1S/C32H48N4O9/c1-18-14-22-27(33-12-13-36(5)6)24(37)17-23(29(22)39)34-31(40)19(2)10-9-11-25(43-7)30(45-32(41)35-42)21(4)16-20(3)28(38)26(15-18)44-8/h9-12,16-18,20,25-26,28,30,37-39,42H,13-15H2,1-8H3,(H,34,40)(H,35,41)/b11-9?,19-10?,21-16+,33-12?/t18-,20+,25+,26+,28-,30+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a |
Kosan Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human heat shock protein 90 in scintillation proximity assay |
Bioorg Med Chem Lett 15: 5016-21 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.013
BindingDB Entry DOI: 10.7270/Q23T9J19 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50173913
((2-Hydroxy-ethyl)-carbamic acid (4E,6Z)-(13S,14S,1...)Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(=O)NCCO)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CCN(C)C |w:16.16,42.44,t:31| Show InChI InChI=1S/C34H52N4O9/c1-20-16-24-29(35-12-14-38(5)6)26(40)19-25(31(24)42)37-33(43)21(2)10-9-11-27(45-7)32(47-34(44)36-13-15-39)23(4)18-22(3)30(41)28(17-20)46-8/h9-12,18-20,22,27-28,30,32,39-42H,13-17H2,1-8H3,(H,36,44)(H,37,43)/b11-9?,21-10?,23-18+,35-12?/t20-,22+,27+,28+,30-,32+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a |
Kosan Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human heat shock protein 90 in scintillation proximity assay |
Bioorg Med Chem Lett 15: 5016-21 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.013
BindingDB Entry DOI: 10.7270/Q23T9J19 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50173908
(1H-Pyrrole-2-carboxylic acid (E)-(8R,10R,15S,20S)-...)Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(=O)c3ccc[nH]3)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CCN(C)C |w:16.16,43.46,t:33| Show InChI InChI=1S/C36H50N4O8/c1-21-17-25-31(38-15-16-40(5)6)28(41)20-27(33(25)43)39-35(44)22(2)11-9-13-29(46-7)34(48-36(45)26-12-10-14-37-26)24(4)19-23(3)32(42)30(18-21)47-8/h9-15,19-21,23,29-30,32,34,37,41-43H,16-18H2,1-8H3,(H,39,44)/b13-9?,22-11?,24-19+,38-15?/t21-,23+,29+,30+,32-,34+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a |
Kosan Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human heat shock protein 90 in scintillation proximity assay |
Bioorg Med Chem Lett 15: 5016-21 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.013
BindingDB Entry DOI: 10.7270/Q23T9J19 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50030864
((8S,9S,12S,13R,14S,16R)-19-(azetidin-1-yl)-13-hydr...)Show SMILES CO[C@H]1CC(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)c2N1CCC1 |r,w:17.16,14.14,6.6,t:28| Show InChI InChI=1S/C31H43N3O8/c1-17-13-21-26(34-11-8-12-34)23(35)16-22(28(21)37)33-30(38)18(2)9-7-10-24(40-5)29(42-31(32)39)20(4)15-19(3)27(36)25(14-17)41-6/h7,9-10,13,15-16,19,24-25,27,29,35-37H,8,11-12,14H2,1-6H3,(H2,32,39)(H,33,38)/b10-7?,17-13?,18-9?,20-15+/t19-,24-,25-,27+,29-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a |
Kosan Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human heat shock protein 90 in scintillation proximity assay |
Bioorg Med Chem Lett 15: 5016-21 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.013
BindingDB Entry DOI: 10.7270/Q23T9J19 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50173898
(CHEMBL371539 | Geldanamycin derivative)Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(=O)NO)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CCF |w:16.16,40.42,t:29| Show InChI InChI=1S/C30H42FN3O9/c1-16-12-20-25(32-11-10-31)22(35)15-21(27(20)37)33-29(38)17(2)8-7-9-23(41-5)28(43-30(39)34-40)19(4)14-18(3)26(36)24(13-16)42-6/h7-9,11,14-16,18,23-24,26,28,35-37,40H,10,12-13H2,1-6H3,(H,33,38)(H,34,39)/b9-7?,17-8?,19-14+,32-11?/t16-,18+,23+,24+,26-,28+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a |
Kosan Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human heat shock protein 90 in scintillation proximity assay |
Bioorg Med Chem Lett 15: 5016-21 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.013
BindingDB Entry DOI: 10.7270/Q23T9J19 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50173909
(CHEMBL370149 | N-Methyl-hydrazinecarboxylic acid (...)Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(=O)N(C)N)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CCN(C)C |w:16.16,41.43,t:30| Show InChI InChI=1S/C33H51N5O8/c1-19-15-23-28(35-13-14-37(5)6)25(39)18-24(30(23)41)36-32(42)20(2)11-10-12-26(44-8)31(46-33(43)38(7)34)22(4)17-21(3)29(40)27(16-19)45-9/h10-13,17-19,21,26-27,29,31,39-41H,14-16,34H2,1-9H3,(H,36,42)/b12-10?,20-11?,22-17+,35-13?/t19-,21+,26+,27+,29-,31+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a |
Kosan Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human heat shock protein 90 in scintillation proximity assay |
Bioorg Med Chem Lett 15: 5016-21 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.013
BindingDB Entry DOI: 10.7270/Q23T9J19 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50030841
((8S,9S,12S,13R,14S,16R)-19-(2-fluoroethylamino)-13...)Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CCF |r,w:17.16,14.14,38.39,t:28| Show InChI InChI=1S/C30H42FN3O8/c1-16-12-20-25(33-11-10-31)22(35)15-21(27(20)37)34-29(38)17(2)8-7-9-23(40-5)28(42-30(32)39)19(4)14-18(3)26(36)24(13-16)41-6/h7-9,11,14-16,18,23-24,26,28,35-37H,10,12-13H2,1-6H3,(H2,32,39)(H,34,38)/b9-7?,17-8?,19-14+,33-11?/t16-,18+,23+,24+,26-,28+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a |
Kosan Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human heat shock protein 90 in scintillation proximity assay |
Bioorg Med Chem Lett 15: 5016-21 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.013
BindingDB Entry DOI: 10.7270/Q23T9J19 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50173907
(3H-Imidazole-4-carboxylic acid (E)-(8R,10R,15S,20S...)Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(=O)c3cnc[nH]3)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CCN(C)C |w:16.16,43.46,t:33| Show InChI InChI=1S/C35H49N5O8/c1-20-14-24-30(37-12-13-40(5)6)27(41)17-25(32(24)43)39-34(44)21(2)10-9-11-28(46-7)33(48-35(45)26-18-36-19-38-26)23(4)16-22(3)31(42)29(15-20)47-8/h9-12,16-20,22,28-29,31,33,41-43H,13-15H2,1-8H3,(H,36,38)(H,39,44)/b11-9?,21-10?,23-16+,37-12?/t20-,22+,28+,29+,31-,33+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a |
Kosan Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human heat shock protein 90 in scintillation proximity assay |
Bioorg Med Chem Lett 15: 5016-21 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.013
BindingDB Entry DOI: 10.7270/Q23T9J19 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50173906
(CHEMBL197741 | Hydrazinecarboxylic acid (4E,6Z)-(1...)Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(O)=NN)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N1CCC1 |w:6.6,16.16,26.26,t:29| Show InChI InChI=1S/C31H44N4O8/c1-17-13-21-26(35-11-8-12-35)23(36)16-22(28(21)38)33-30(39)18(2)9-7-10-24(41-5)29(43-31(40)34-32)20(4)15-19(3)27(37)25(14-17)42-6/h7,9-10,13,15-16,19,24-25,27,29,36-38H,8,11-12,14,32H2,1-6H3,(H,33,39)(H,34,40)/b10-7?,17-13?,18-9?,20-15+/t19-,24-,25-,27+,29-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a |
Kosan Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human heat shock protein 90 in scintillation proximity assay |
Bioorg Med Chem Lett 15: 5016-21 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.013
BindingDB Entry DOI: 10.7270/Q23T9J19 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50173904
((2-Dimethylamino-ethyl)-carbamic acid (4E,6Z)-(13S...)Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(=O)NCCN(C)C)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CCN(C)C |w:16.16,44.46,t:33| Show InChI InChI=1S/C36H57N5O8/c1-22-18-26-31(37-14-16-40(5)6)28(42)21-27(33(26)44)39-35(45)23(2)12-11-13-29(47-9)34(49-36(46)38-15-17-41(7)8)25(4)20-24(3)32(43)30(19-22)48-10/h11-14,20-22,24,29-30,32,34,42-44H,15-19H2,1-10H3,(H,38,46)(H,39,45)/b13-11?,23-12?,25-20+,37-14?/t22-,24+,29+,30+,32-,34+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a |
Kosan Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human heat shock protein 90 in scintillation proximity assay |
Bioorg Med Chem Lett 15: 5016-21 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.013
BindingDB Entry DOI: 10.7270/Q23T9J19 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50173912
(CHEMBL380815 | Hydrazinecarboxylic acid (4E,6Z)-(1...)Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(O)=NN)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CCN(C)C |w:16.16,26.26,40.42,t:29| Show InChI InChI=1S/C32H49N5O8/c1-18-14-22-27(34-12-13-37(5)6)24(38)17-23(29(22)40)35-31(41)19(2)10-9-11-25(43-7)30(45-32(42)36-33)21(4)16-20(3)28(39)26(15-18)44-8/h9-12,16-18,20,25-26,28,30,38-40H,13-15,33H2,1-8H3,(H,35,41)(H,36,42)/b11-9?,19-10?,21-16+,34-12?/t18-,20+,25+,26+,28-,30+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a |
Kosan Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human heat shock protein 90 in scintillation proximity assay |
Bioorg Med Chem Lett 15: 5016-21 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.013
BindingDB Entry DOI: 10.7270/Q23T9J19 |
More data for this
Ligand-Target Pair | |
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