Found 14 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)) | BDBM50031728
(CHEMBL3360312)Show SMILES COc1cncc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(=O)N1 |r| Show InChI InChI=1S/C19H17FN6O2/c1-9-17-14(26-19(21)23-9)6-13(25-18(17)27)11-4-3-10(20)5-12(11)15-7-22-8-16(24-15)28-2/h3-5,7-8,13H,6H2,1-2H3,(H,25,27)(H2,21,23,26)/t13-/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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His-tagged HSP90-alpha (unknown origin) after 2 hrs by spectrophotometry |
J Med Chem 57: 9124-9 (2014)
Article DOI: 10.1021/jm501107q
BindingDB Entry DOI: 10.7270/Q2M90B81 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50031734
(CHEMBL3360306)Show SMILES COc1cccc(n1)-c1cc(C)ccc1[C@H]1Cc2nc(N)nc(C)c2C(=O)N1 |r| Show InChI InChI=1S/C21H21N5O2/c1-11-7-8-13(14(9-11)15-5-4-6-18(24-15)28-3)16-10-17-19(20(27)25-16)12(2)23-21(22)26-17/h4-9,16H,10H2,1-3H3,(H,25,27)(H2,22,23,26)/t16-/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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His-tagged HSP90-alpha (unknown origin) after 2 hrs by spectrophotometry |
J Med Chem 57: 9124-9 (2014)
Article DOI: 10.1021/jm501107q
BindingDB Entry DOI: 10.7270/Q2M90B81 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50031735
(CHEMBL3360305)Show SMILES COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(=O)N1 |r| Show InChI InChI=1S/C20H18FN5O2/c1-10-18-16(26-20(22)23-10)9-15(25-19(18)27)12-7-6-11(21)8-13(12)14-4-3-5-17(24-14)28-2/h3-8,15H,9H2,1-2H3,(H,25,27)(H2,22,23,26)/t15-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His-tagged HSP90-alpha (unknown origin) after 2 hrs by spectrophotometry |
J Med Chem 57: 9124-9 (2014)
Article DOI: 10.1021/jm501107q
BindingDB Entry DOI: 10.7270/Q2M90B81 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50031727
(CHEMBL3360313)Show SMILES COc1nc(cnc1C)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(=O)N1 |r| Show InChI InChI=1S/C20H19FN6O2/c1-9-17-15(27-20(22)24-9)7-14(25-18(17)28)12-5-4-11(21)6-13(12)16-8-23-10(2)19(26-16)29-3/h4-6,8,14H,7H2,1-3H3,(H,25,28)(H2,22,24,27)/t14-/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 | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His-tagged HSP90-alpha (unknown origin) after 2 hrs by spectrophotometry |
J Med Chem 57: 9124-9 (2014)
Article DOI: 10.1021/jm501107q
BindingDB Entry DOI: 10.7270/Q2M90B81 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50031733
(CHEMBL3360307)Show SMILES COc1ccc([C@H]2Cc3nc(N)nc(C)c3C(=O)N2)c(c1)-c1cccc(OC)n1 |r| Show InChI InChI=1S/C21H21N5O3/c1-11-19-17(26-21(22)23-11)10-16(25-20(19)27)13-8-7-12(28-2)9-14(13)15-5-4-6-18(24-15)29-3/h4-9,16H,10H2,1-3H3,(H,25,27)(H2,22,23,26)/t16-/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 | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His-tagged HSP90-alpha (unknown origin) after 2 hrs by spectrophotometry |
J Med Chem 57: 9124-9 (2014)
Article DOI: 10.1021/jm501107q
BindingDB Entry DOI: 10.7270/Q2M90B81 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50031736
(CHEMBL3360304)Show SMILES COc1cccc(n1)-c1ccccc1[C@H]1Cc2nc(N)nc(C)c2C(=O)N1 |r| Show InChI InChI=1S/C20H19N5O2/c1-11-18-16(25-20(21)22-11)10-15(24-19(18)26)13-7-4-3-6-12(13)14-8-5-9-17(23-14)27-2/h3-9,15H,10H2,1-2H3,(H,24,26)(H2,21,22,25)/t15-/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 | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His-tagged HSP90-alpha (unknown origin) after 2 hrs by spectrophotometry |
J Med Chem 57: 9124-9 (2014)
Article DOI: 10.1021/jm501107q
BindingDB Entry DOI: 10.7270/Q2M90B81 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50031726
(CHEMBL3360314)Show SMILES COc1nc(cnc1N)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(=O)N1 |r| Show InChI InChI=1S/C19H18FN7O2/c1-8-15-13(27-19(22)24-8)6-12(25-17(15)28)10-4-3-9(20)5-11(10)14-7-23-16(21)18(26-14)29-2/h3-5,7,12H,6H2,1-2H3,(H2,21,23)(H,25,28)(H2,22,24,27)/t12-/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 | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His-tagged HSP90-alpha (unknown origin) after 2 hrs by spectrophotometry |
J Med Chem 57: 9124-9 (2014)
Article DOI: 10.1021/jm501107q
BindingDB Entry DOI: 10.7270/Q2M90B81 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50031723
(CHEMBL3360317)Show SMILES COc1nc(cs1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(=O)N1 |r| Show InChI InChI=1S/C18H16FN5O2S/c1-8-15-13(23-17(20)21-8)6-12(22-16(15)25)10-4-3-9(19)5-11(10)14-7-27-18(24-14)26-2/h3-5,7,12H,6H2,1-2H3,(H,22,25)(H2,20,21,23)/t12-/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 | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His-tagged HSP90-alpha (unknown origin) after 2 hrs by spectrophotometry |
J Med Chem 57: 9124-9 (2014)
Article DOI: 10.1021/jm501107q
BindingDB Entry DOI: 10.7270/Q2M90B81 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50031732
(CHEMBL3360308)Show SMILES COc1cccc(n1)-c1ccc(F)cc1[C@H]1Cc2nc(N)nc(C)c2C(=O)N1 |r| Show InChI InChI=1S/C20H18FN5O2/c1-10-18-16(26-20(22)23-10)9-15(25-19(18)27)13-8-11(21)6-7-12(13)14-4-3-5-17(24-14)28-2/h3-8,15H,9H2,1-2H3,(H,25,27)(H2,22,23,26)/t15-/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 | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His-tagged HSP90-alpha (unknown origin) after 2 hrs by spectrophotometry |
J Med Chem 57: 9124-9 (2014)
Article DOI: 10.1021/jm501107q
BindingDB Entry DOI: 10.7270/Q2M90B81 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50031730
(CHEMBL3360310)Show SMILES CCOc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(=O)N1 |r| Show InChI InChI=1S/C21H20FN5O2/c1-3-29-18-6-4-5-15(25-18)14-9-12(22)7-8-13(14)16-10-17-19(20(28)26-16)11(2)24-21(23)27-17/h4-9,16H,3,10H2,1-2H3,(H,26,28)(H2,23,24,27)/t16-/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 | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His-tagged HSP90-alpha (unknown origin) after 2 hrs by spectrophotometry |
J Med Chem 57: 9124-9 (2014)
Article DOI: 10.1021/jm501107q
BindingDB Entry DOI: 10.7270/Q2M90B81 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50031724
(CHEMBL3360316)Show SMILES COc1ncc(s1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(=O)N1 |r| Show InChI InChI=1S/C18H16FN5O2S/c1-8-15-13(24-17(20)22-8)6-12(23-16(15)25)10-4-3-9(19)5-11(10)14-7-21-18(26-2)27-14/h3-5,7,12H,6H2,1-2H3,(H,23,25)(H2,20,22,24)/t12-/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 | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His-tagged HSP90-alpha (unknown origin) after 2 hrs by spectrophotometry |
J Med Chem 57: 9124-9 (2014)
Article DOI: 10.1021/jm501107q
BindingDB Entry DOI: 10.7270/Q2M90B81 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50031725
(CHEMBL3360315)Show SMILES COc1ccc(s1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(=O)N1 |r| Show InChI InChI=1S/C19H17FN4O2S/c1-9-17-14(24-19(21)22-9)8-13(23-18(17)25)11-4-3-10(20)7-12(11)15-5-6-16(26-2)27-15/h3-7,13H,8H2,1-2H3,(H,23,25)(H2,21,22,24)/t13-/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 | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His-tagged HSP90-alpha (unknown origin) after 2 hrs by spectrophotometry |
J Med Chem 57: 9124-9 (2014)
Article DOI: 10.1021/jm501107q
BindingDB Entry DOI: 10.7270/Q2M90B81 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50031729
(CHEMBL3360311)Show SMILES Cc1nc(N)nc2C[C@@H](NC(=O)c12)c1ccc(F)cc1-c1cccc(O)n1 |r| Show InChI InChI=1S/C19H16FN5O2/c1-9-17-15(25-19(21)22-9)8-14(24-18(17)27)11-6-5-10(20)7-12(11)13-3-2-4-16(26)23-13/h2-7,14H,8H2,1H3,(H,23,26)(H,24,27)(H2,21,22,25)/t14-/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 | 9.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His-tagged HSP90-alpha (unknown origin) after 2 hrs by spectrophotometry |
J Med Chem 57: 9124-9 (2014)
Article DOI: 10.1021/jm501107q
BindingDB Entry DOI: 10.7270/Q2M90B81 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50031731
(CHEMBL3360309)Show SMILES COc1ccc(-c2cccc(OC)n2)c(c1)[C@H]1Cc2nc(N)nc(C)c2C(=O)N1 |r| Show InChI InChI=1S/C21H21N5O3/c1-11-19-17(26-21(22)23-11)10-16(25-20(19)27)14-9-12(28-2)7-8-13(14)15-5-4-6-18(24-15)29-3/h4-9,16H,10H2,1-3H3,(H,25,27)(H2,22,23,26)/t16-/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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His-tagged HSP90-alpha (unknown origin) after 2 hrs by spectrophotometry |
J Med Chem 57: 9124-9 (2014)
Article DOI: 10.1021/jm501107q
BindingDB Entry DOI: 10.7270/Q2M90B81 |
More data for this
Ligand-Target Pair | |
Search and Browse
