Found 9 hits of ki for UniProtKB: P07900 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 HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM20800
(2-amino-6-halopurine analogue, 20 | 6-chloro-9-[(4...)Show InChI InChI=1S/C14H15ClN6O/c1-7-4-17-9(8(2)11(7)22-3)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of recombinant His-tagged full length human HSP90 (9 to 236 residues) expressed in Escherichia coli BL21(DE3) cells after 18 hrs by fluore... |
J Med Chem 63: 10135-10157 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02038 BindingDB Entry DOI: 10.7270/Q2S46WJB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50097905
(CHEMBL3589960)Show SMILES CC(F)(F)CC(C)(C)NC(=O)N1Cc2nc(N)nc(c2C1)-c1c(Cl)cc(Cl)cc1OCCn1cc(F)cn1 |(10.02,2.79,;8.78,2.77,;9.39,3.84,;9.41,1.71,;7.24,2.75,;6.49,1.4,;5.89,.33,;7.12,.35,;4.95,1.38,;4.2,.04,;4.83,-1.02,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;-1.02,-3.09,;.31,-3.87,;1.37,-3.26,;.3,-5.41,;-1.04,-6.17,;-1.04,-7.41,;-2.37,-5.4,;-2.36,-3.86,;-3.69,-3.09,;-5.03,-3.85,;-6.36,-3.08,;-7.7,-3.85,;-9.09,-3.21,;-10.12,-4.35,;-11.34,-4.22,;-9.35,-5.69,;-7.84,-5.37,)| Show InChI InChI=1S/C24H26Cl2F3N7O2/c1-23(2,12-24(3,28)29)34-22(37)35-10-15-17(11-35)32-21(30)33-20(15)19-16(26)6-13(25)7-18(19)38-5-4-36-9-14(27)8-31-36/h6-9H,4-5,10-12H2,1-3H3,(H,34,37)(H2,30,32,33) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacokinetics
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HSP90 by scintillation proximity competition binding assay |
J Med Chem 58: 5691-8 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00201 BindingDB Entry DOI: 10.7270/Q2ZP47W8 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50097903
(CHEMBL3589958)Show SMILES CC(C)(CC(F)(F)F)NC(=O)N1Cc2nc(N)nc(c2C1)-c1c(Cl)cc(Cl)cc1OCCn1cc(F)cn1 |(5.89,.33,;6.49,1.4,;7.12,.35,;7.24,2.75,;8.78,2.77,;9.39,3.84,;10.02,2.79,;9.41,1.71,;4.95,1.38,;4.2,.04,;4.83,-1.02,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;-1.02,-3.09,;.31,-3.87,;1.37,-3.26,;.3,-5.41,;-1.04,-6.17,;-1.04,-7.41,;-2.37,-5.4,;-2.36,-3.86,;-3.69,-3.09,;-5.03,-3.85,;-6.36,-3.08,;-7.7,-3.85,;-9.09,-3.21,;-10.12,-4.35,;-11.34,-4.22,;-9.35,-5.69,;-7.84,-5.37,)| Show InChI InChI=1S/C23H23Cl2F4N7O2/c1-22(2,11-23(27,28)29)34-21(37)35-9-14-16(10-35)32-20(30)33-19(14)18-15(25)5-12(24)6-17(18)38-4-3-36-8-13(26)7-31-36/h5-8H,3-4,9-11H2,1-2H3,(H,34,37)(H2,30,32,33) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacokinetics
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HSP90 by scintillation proximity competition binding assay |
J Med Chem 58: 5691-8 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00201 BindingDB Entry DOI: 10.7270/Q2ZP47W8 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50097907
(CHEMBL3589962)Show SMILES CC(C)(NC(=O)N1Cc2nc(N)nc(c2C1)-c1c(Cl)cc(Cl)cc1OCCn1cc(F)cn1)C12CC(C1)C2 |(6.8,.01,;7,1.23,;7.95,.45,;5.55,.68,;5.31,-.84,;6.26,-1.62,;3.87,-1.38,;2.61,-.55,;1.4,-1.49,;-.12,-1.2,;-1.12,-2.4,;-2.33,-2.19,;-.59,-3.85,;.94,-4.12,;1.92,-2.93,;3.45,-2.87,;1.47,-5.57,;2.99,-5.84,;3.78,-4.9,;3.51,-7.29,;2.51,-8.47,;2.93,-9.63,;1,-8.19,;.48,-6.75,;-1.04,-6.48,;-2.03,-7.65,;-3.55,-7.38,;-4.54,-8.56,;-6.07,-8.44,;-6.64,-9.86,;-7.84,-10.16,;-5.46,-10.85,;-4.16,-10.04,;7.24,2.75,;6.13,1.66,;5.06,3.02,;6.27,2.44,;6.44,4.11,)| Show InChI InChI=1S/C26H28Cl2FN7O2/c1-25(2,26-7-14(8-26)9-26)34-24(37)35-12-17-19(13-35)32-23(30)33-22(17)21-18(28)5-15(27)6-20(21)38-4-3-36-11-16(29)10-31-36/h5-6,10-11,14H,3-4,7-9,12-13H2,1-2H3,(H,34,37)(H2,30,32,33) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacokinetics
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HSP90 by scintillation proximity competition binding assay |
J Med Chem 58: 5691-8 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00201 BindingDB Entry DOI: 10.7270/Q2ZP47W8 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50097904
(CHEMBL3589959)Show SMILES CC(F)(F)CC(C)(C)NC(=O)N1Cc2nc(N)nc(c2C1)-c1c(Cl)cc(Cl)cc1OCCn1cccn1 |(10.02,2.79,;8.78,2.77,;9.39,3.84,;9.41,1.71,;7.24,2.75,;6.49,1.4,;5.89,.33,;7.12,.35,;4.95,1.38,;4.2,.04,;4.83,-1.02,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;-1.02,-3.09,;.31,-3.87,;1.37,-3.26,;.3,-5.41,;-1.04,-6.17,;-1.04,-7.41,;-2.37,-5.4,;-2.36,-3.86,;-3.69,-3.09,;-5.03,-3.85,;-6.36,-3.08,;-7.7,-3.85,;-9.09,-3.21,;-10.12,-4.35,;-9.35,-5.69,;-7.84,-5.37,)| Show InChI InChI=1S/C24H27Cl2F2N7O2/c1-23(2,13-24(3,27)28)33-22(36)34-11-15-17(12-34)31-21(29)32-20(15)19-16(26)9-14(25)10-18(19)37-8-7-35-6-4-5-30-35/h4-6,9-10H,7-8,11-13H2,1-3H3,(H,33,36)(H2,29,31,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacokinetics
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HSP90 by scintillation proximity competition binding assay |
J Med Chem 58: 5691-8 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00201 BindingDB Entry DOI: 10.7270/Q2ZP47W8 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50097906
(CHEMBL3589961)Show SMILES CC(C)(NC(=O)N1Cc2nc(N)nc(c2C1)-c1c(Cl)cc(Cl)cc1OCCn1cccn1)C12CC(C1)C2 |(6.8,.01,;7,1.23,;7.95,.45,;5.55,.68,;5.31,-.84,;6.26,-1.62,;3.87,-1.38,;2.61,-.55,;1.4,-1.49,;-.12,-1.2,;-1.12,-2.4,;-2.33,-2.19,;-.59,-3.85,;.94,-4.12,;1.92,-2.93,;3.45,-2.87,;1.47,-5.57,;2.99,-5.84,;3.78,-4.9,;3.51,-7.29,;2.51,-8.47,;2.93,-9.63,;1,-8.19,;.48,-6.75,;-1.04,-6.48,;-2.03,-7.65,;-3.55,-7.38,;-4.54,-8.56,;-6.07,-8.44,;-6.64,-9.86,;-5.46,-10.85,;-4.16,-10.04,;7.24,2.75,;6.13,1.66,;5.06,3.02,;6.27,2.44,;6.44,4.11,)| Show InChI InChI=1S/C26H29Cl2N7O2/c1-25(2,26-10-15(11-26)12-26)33-24(36)34-13-17-19(14-34)31-23(29)32-22(17)21-18(28)8-16(27)9-20(21)37-7-6-35-5-3-4-30-35/h3-5,8-9,15H,6-7,10-14H2,1-2H3,(H,33,36)(H2,29,31,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacokinetics
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HSP90 by scintillation proximity competition binding assay |
J Med Chem 58: 5691-8 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00201 BindingDB Entry DOI: 10.7270/Q2ZP47W8 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50097902
(CHEMBL3589957)Show SMILES CC(C)(CC(F)(F)F)NC(=O)N1Cc2nc(N)nc(c2C1)-c1c(Cl)cc(Cl)cc1OCCn1cccn1 |(5.89,.33,;6.49,1.4,;7.12,.35,;7.24,2.75,;8.78,2.77,;9.39,3.84,;10.02,2.79,;9.41,1.71,;4.95,1.38,;4.2,.04,;4.83,-1.02,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;-1.02,-3.09,;.31,-3.87,;1.37,-3.26,;.3,-5.41,;-1.04,-6.17,;-1.04,-7.41,;-2.37,-5.4,;-2.36,-3.86,;-3.69,-3.09,;-5.03,-3.85,;-6.36,-3.08,;-7.7,-3.85,;-9.09,-3.21,;-10.12,-4.35,;-9.35,-5.69,;-7.84,-5.37,)| Show InChI InChI=1S/C23H24Cl2F3N7O2/c1-22(2,12-23(26,27)28)33-21(36)34-10-14-16(11-34)31-20(29)32-19(14)18-15(25)8-13(24)9-17(18)37-7-6-35-5-3-4-30-35/h3-5,8-9H,6-7,10-12H2,1-2H3,(H,33,36)(H2,29,31,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacokinetics
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HSP90 by scintillation proximity competition binding assay |
J Med Chem 58: 5691-8 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00201 BindingDB Entry DOI: 10.7270/Q2ZP47W8 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50546250
(CHEMBL4754689)Show SMILES Cc1cc(CNS(=O)(=O)c2ccc(N\C=C3/CCOC3=O)cc2)nc(N)n1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Displacement of biotin-labelled geldanamycin from human HSP90 (D9 to E236 residues) incubated for 3 hrs by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00242 BindingDB Entry DOI: 10.7270/Q2KD22HB |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50546251
(CHEMBL4783360) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human HSP90 (D9 to E236 residues) by fluorescence spectroscopy |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00242 BindingDB Entry DOI: 10.7270/Q2KD22HB |
More data for this Ligand-Target Pair | |