Found 69 hits with Last Name = 'geng' and Initial = 'l' 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/90-beta
(Homo sapiens (Human)) | BDBM50450704
(CHEMBL560895 | SNX-2112)Show SMILES CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)C(F)(F)F)C(=O)C1 |r,wU:18.18,wD:21.22,(-2.35,-2,;-2.38,-.77,;-3.43,-.12,;-1.03,-1.55,;.3,-.77,;.3,.77,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.68,;3.35,-7.18,;4.53,-7.52,;2.46,-8.03,;4.09,-4.62,;5.57,-5.04,;6.68,-3.97,;6.3,-2.47,;7.41,-1.4,;8.89,-1.82,;9.77,-.96,;9.27,-3.32,;8.16,-4.39,;3.72,-3.12,;2.24,2.7,;3.44,2.95,;1.41,3.61,;2.62,3.87,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,)| Show InChI InChI=1S/C23H27F3N4O3/c1-22(2)10-17-19(18(32)11-22)20(23(24,25)26)29-30(17)13-5-8-15(21(27)33)16(9-13)28-12-3-6-14(31)7-4-12/h5,8-9,12,14,28,31H,3-4,6-7,10-11H2,1-2H3,(H2,27,33)/t12-,14- | PDB
Reactome pathway
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Serenex Inc
Curated by ChEMBL
| Assay Description
Inhibition of Hsp90 in human A375 cells assessed as pS6 degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j
BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50450704
(CHEMBL560895 | SNX-2112)Show SMILES CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)C(F)(F)F)C(=O)C1 |r,wU:18.18,wD:21.22,(-2.35,-2,;-2.38,-.77,;-3.43,-.12,;-1.03,-1.55,;.3,-.77,;.3,.77,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.68,;3.35,-7.18,;4.53,-7.52,;2.46,-8.03,;4.09,-4.62,;5.57,-5.04,;6.68,-3.97,;6.3,-2.47,;7.41,-1.4,;8.89,-1.82,;9.77,-.96,;9.27,-3.32,;8.16,-4.39,;3.72,-3.12,;2.24,2.7,;3.44,2.95,;1.41,3.61,;2.62,3.87,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,)| Show InChI InChI=1S/C23H27F3N4O3/c1-22(2)10-17-19(18(32)11-22)20(23(24,25)26)29-30(17)13-5-8-15(21(27)33)16(9-13)28-12-3-6-14(31)7-4-12/h5,8-9,12,14,28,31H,3-4,6-7,10-11H2,1-2H3,(H2,27,33)/t12-,14- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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| PDB
Article
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description
Inhibition of Hsp90 in human A375 cells assessed as Hsp70 induction after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j
BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50008057
(BMS-722782 | CHEBI:64153 | TANESPIMYCIN)Show SMILES CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |r,c:7,23,t:15,21,34| Show InChI InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,36H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9-,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1 | PDB
Reactome pathway
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| Article
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description
Inhibition of Hsp90 in human AU565 cells assessed as Her2 degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j
BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50008057
(BMS-722782 | CHEBI:64153 | TANESPIMYCIN)Show SMILES CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |r,c:7,23,t:15,21,34| Show InChI InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,36H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9-,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1 | PDB
Reactome pathway
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antibodypedia
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description
Inhibition of Hsp90 in human A375 cells assessed as Hsp70 induction after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j
BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50480378
(CHEMBL563608)Show SMILES Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc(C(N)=O)c(N[C@H]2CC[C@H](O)CC2)c1 |r,wU:22.23,wD:25.27,(2.14,2.41,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.35,-2,;-3.43,-.12,;-2.38,.77,;-1.03,1.55,;-1.03,2.79,;.3,.77,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.68,;3.35,-7.18,;4.53,-7.52,;2.46,-8.03,;4.09,-4.62,;5.57,-5.04,;6.68,-3.97,;6.3,-2.47,;7.41,-1.4,;8.89,-1.82,;9.77,-.96,;9.27,-3.32,;8.16,-4.39,;3.72,-3.12,)| Show InChI InChI=1S/C24H31N3O3/c1-14-13-27(20-11-24(2,3)12-21(29)22(14)20)16-6-9-18(23(25)30)19(10-16)26-15-4-7-17(28)8-5-15/h6,9-10,13,15,17,26,28H,4-5,7-8,11-12H2,1-3H3,(H2,25,30)/t15-,17- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
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| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description
Inhibition of Hsp90 in human A375 cells assessed as pS6 degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j
BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50008057
(BMS-722782 | CHEBI:64153 | TANESPIMYCIN)Show SMILES CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |r,c:7,23,t:15,21,34| Show InChI InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,36H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9-,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description
Inhibition of Hsp90 in human AU565 cells assessed as pERK degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j
BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50480379
(CHEMBL553939 | SNX-5422)Show SMILES CS(O)(=O)=O.CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(N[C@H]3CC[C@@H](CC3)OC(=O)CN)c2)C(F)(F)F)C(=O)C1 |r,wU:26.29,wD:23.22,(1.33,-.46,;1.33,.77,;1.33,2,;.27,.15,;2.4,.15,;6.56,.62,;6.53,1.85,;5.48,2.5,;7.88,1.07,;9.21,1.85,;9.21,3.39,;10.67,3.86,;11.57,2.64,;10.67,1.39,;11.15,-.08,;10.22,-1.3,;10.82,-2.72,;12.34,-2.91,;12.93,-4.34,;14.16,-4.49,;12.19,-5.31,;13.28,-1.69,;14.81,-1.88,;15.74,-.65,;17.27,-.85,;18.2,.38,;17.6,1.8,;16.07,1.99,;15.14,.76,;18.52,3.03,;17.92,4.45,;16.7,4.6,;18.85,5.68,;18.37,6.82,;12.68,-.27,;11.15,5.32,;12.35,5.58,;10.32,6.24,;11.53,6.49,;7.88,4.18,;7.88,5.41,;6.53,3.39,)| Show InChI InChI=1S/C25H30F3N5O4.CH4O3S/c1-24(2)10-18-21(19(34)11-24)22(25(26,27)28)32-33(18)14-5-8-16(23(30)36)17(9-14)31-13-3-6-15(7-4-13)37-20(35)12-29;1-5(2,3)4/h5,8-9,13,15,31H,3-4,6-7,10-12,29H2,1-2H3,(H2,30,36);1H3,(H,2,3,4)/t13-,15-; | PDB
Reactome pathway
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antibodypedia
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UniChem
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description
Inhibition of Hsp90 in human AU565 cells assessed as pERK degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j
BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM19440
(1-[3-(4-chlorophenyl)-4-(pyridin-4-yl)-1H-pyrazol-...)Show SMILES CC1CN(CC(C)N1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H22ClN5/c1-13-11-26(12-14(2)23-13)20-18(15-7-9-22-10-8-15)19(24-25-20)16-3-5-17(21)6-4-16/h3-10,13-14,23H,11-12H2,1-2H3,(H,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | 7.5 | 30 |
Pfizer
| Assay Description
Kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 50 uM ATP/[gamma-33P] ATP. 33P incorpor... |
J Med Chem 50: 5712-9 (2007)
Article DOI: 10.1021/jm0611915
BindingDB Entry DOI: 10.7270/Q20G3HD5 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50480379
(CHEMBL553939 | SNX-5422)Show SMILES CS(O)(=O)=O.CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(N[C@H]3CC[C@@H](CC3)OC(=O)CN)c2)C(F)(F)F)C(=O)C1 |r,wU:26.29,wD:23.22,(1.33,-.46,;1.33,.77,;1.33,2,;.27,.15,;2.4,.15,;6.56,.62,;6.53,1.85,;5.48,2.5,;7.88,1.07,;9.21,1.85,;9.21,3.39,;10.67,3.86,;11.57,2.64,;10.67,1.39,;11.15,-.08,;10.22,-1.3,;10.82,-2.72,;12.34,-2.91,;12.93,-4.34,;14.16,-4.49,;12.19,-5.31,;13.28,-1.69,;14.81,-1.88,;15.74,-.65,;17.27,-.85,;18.2,.38,;17.6,1.8,;16.07,1.99,;15.14,.76,;18.52,3.03,;17.92,4.45,;16.7,4.6,;18.85,5.68,;18.37,6.82,;12.68,-.27,;11.15,5.32,;12.35,5.58,;10.32,6.24,;11.53,6.49,;7.88,4.18,;7.88,5.41,;6.53,3.39,)| Show InChI InChI=1S/C25H30F3N5O4.CH4O3S/c1-24(2)10-18-21(19(34)11-24)22(25(26,27)28)32-33(18)14-5-8-16(23(30)36)17(9-14)31-13-3-6-15(7-4-13)37-20(35)12-29;1-5(2,3)4/h5,8-9,13,15,31H,3-4,6-7,10-12,29H2,1-2H3,(H2,30,36);1H3,(H,2,3,4)/t13-,15-; | PDB
Reactome pathway
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antibodypedia
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description
Inhibition of Hsp90 in human A375 cells assessed as Hsp70 induction after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j
BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50480378
(CHEMBL563608)Show SMILES Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc(C(N)=O)c(N[C@H]2CC[C@H](O)CC2)c1 |r,wU:22.23,wD:25.27,(2.14,2.41,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.35,-2,;-3.43,-.12,;-2.38,.77,;-1.03,1.55,;-1.03,2.79,;.3,.77,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.68,;3.35,-7.18,;4.53,-7.52,;2.46,-8.03,;4.09,-4.62,;5.57,-5.04,;6.68,-3.97,;6.3,-2.47,;7.41,-1.4,;8.89,-1.82,;9.77,-.96,;9.27,-3.32,;8.16,-4.39,;3.72,-3.12,)| Show InChI InChI=1S/C24H31N3O3/c1-14-13-27(20-11-24(2,3)12-21(29)22(14)20)16-6-9-18(23(25)30)19(10-16)26-15-4-7-17(28)8-5-15/h6,9-10,13,15,17,26,28H,4-5,7-8,11-12H2,1-3H3,(H2,25,30)/t15-,17- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description
Inhibition of Hsp90 in human A375 cells assessed as Hsp70 induction after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j
BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM19439
(1-[3-(4-chlorophenyl)-4-(pyridin-4-yl)-1H-pyrazol-...)Show SMILES CC1CN(CCN1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C19H20ClN5/c1-13-12-25(11-10-22-13)19-17(14-6-8-21-9-7-14)18(23-24-19)15-2-4-16(20)5-3-15/h2-9,13,22H,10-12H2,1H3,(H,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | 7.5 | 30 |
Pfizer
| Assay Description
Kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 50 uM ATP/[gamma-33P] ATP. 33P incorpor... |
J Med Chem 50: 5712-9 (2007)
Article DOI: 10.1021/jm0611915
BindingDB Entry DOI: 10.7270/Q20G3HD5 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50480378
(CHEMBL563608)Show SMILES Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc(C(N)=O)c(N[C@H]2CC[C@H](O)CC2)c1 |r,wU:22.23,wD:25.27,(2.14,2.41,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.35,-2,;-3.43,-.12,;-2.38,.77,;-1.03,1.55,;-1.03,2.79,;.3,.77,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.68,;3.35,-7.18,;4.53,-7.52,;2.46,-8.03,;4.09,-4.62,;5.57,-5.04,;6.68,-3.97,;6.3,-2.47,;7.41,-1.4,;8.89,-1.82,;9.77,-.96,;9.27,-3.32,;8.16,-4.39,;3.72,-3.12,)| Show InChI InChI=1S/C24H31N3O3/c1-14-13-27(20-11-24(2,3)12-21(29)22(14)20)16-6-9-18(23(25)30)19(10-16)26-15-4-7-17(28)8-5-15/h6,9-10,13,15,17,26,28H,4-5,7-8,11-12H2,1-3H3,(H2,25,30)/t15-,17- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description
Inhibition of Hsp90 in human AU565 cells assessed as pERK degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j
BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50008057
(BMS-722782 | CHEBI:64153 | TANESPIMYCIN)Show SMILES CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |r,c:7,23,t:15,21,34| Show InChI InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,36H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9-,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description
Inhibition of Hsp90 in human A375 cells assessed as pS6 degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j
BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM19435
(1-[3-(4-chlorophenyl)-4-(pyridin-4-yl)-1H-pyrazol-...)Show SMILES Clc1ccc(cc1)-c1n[nH]c(N2CCCC3CCCCC23)c1-c1ccncc1 |w:19.20,15.16| Show InChI InChI=1S/C23H25ClN4/c24-19-9-7-18(8-10-19)22-21(17-11-13-25-14-12-17)23(27-26-22)28-15-3-5-16-4-1-2-6-20(16)28/h7-14,16,20H,1-6,15H2,(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | 7.5 | 30 |
Pfizer
| Assay Description
Kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 50 uM ATP/[gamma-33P] ATP. 33P incorpor... |
J Med Chem 50: 5712-9 (2007)
Article DOI: 10.1021/jm0611915
BindingDB Entry DOI: 10.7270/Q20G3HD5 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50450704
(CHEMBL560895 | SNX-2112)Show SMILES CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)C(F)(F)F)C(=O)C1 |r,wU:18.18,wD:21.22,(-2.35,-2,;-2.38,-.77,;-3.43,-.12,;-1.03,-1.55,;.3,-.77,;.3,.77,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.68,;3.35,-7.18,;4.53,-7.52,;2.46,-8.03,;4.09,-4.62,;5.57,-5.04,;6.68,-3.97,;6.3,-2.47,;7.41,-1.4,;8.89,-1.82,;9.77,-.96,;9.27,-3.32,;8.16,-4.39,;3.72,-3.12,;2.24,2.7,;3.44,2.95,;1.41,3.61,;2.62,3.87,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,)| Show InChI InChI=1S/C23H27F3N4O3/c1-22(2)10-17-19(18(32)11-22)20(23(24,25)26)29-30(17)13-5-8-15(21(27)33)16(9-13)28-12-3-6-14(31)7-4-12/h5,8-9,12,14,28,31H,3-4,6-7,10-11H2,1-2H3,(H2,27,33)/t12-,14- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
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| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description
Inhibition of Hsp90 in human AU565 cells assessed as pERK degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j
BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50480374
(CHEMBL560955)Show SMILES COc1cc(Nc2cc(ccc2C(N)=O)-n2cc(C)c3c2CC(C)(C)CC3=O)cc(OC)c1OC Show InChI InChI=1S/C27H31N3O5/c1-15-14-30(20-12-27(2,3)13-21(31)24(15)20)17-7-8-18(26(28)32)19(11-17)29-16-9-22(33-4)25(35-6)23(10-16)34-5/h7-11,14,29H,12-13H2,1-6H3,(H2,28,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description
Inhibition of Hsp90 in human AU565 cells assessed as Her2 degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j
BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM19430
(1-[3-(4-chlorophenyl)-4-(pyridin-4-yl)-1H-pyrazol-...)Show SMILES CN1CCN(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C19H20ClN5/c1-24-10-12-25(13-11-24)19-17(14-6-8-21-9-7-14)18(22-23-19)15-2-4-16(20)5-3-15/h2-9H,10-13H2,1H3,(H,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | 7.5 | 30 |
Pfizer
| Assay Description
Kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 50 uM ATP/[gamma-33P] ATP. 33P incorpor... |
J Med Chem 50: 5712-9 (2007)
Article DOI: 10.1021/jm0611915
BindingDB Entry DOI: 10.7270/Q20G3HD5 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50480379
(CHEMBL553939 | SNX-5422)Show SMILES CS(O)(=O)=O.CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(N[C@H]3CC[C@@H](CC3)OC(=O)CN)c2)C(F)(F)F)C(=O)C1 |r,wU:26.29,wD:23.22,(1.33,-.46,;1.33,.77,;1.33,2,;.27,.15,;2.4,.15,;6.56,.62,;6.53,1.85,;5.48,2.5,;7.88,1.07,;9.21,1.85,;9.21,3.39,;10.67,3.86,;11.57,2.64,;10.67,1.39,;11.15,-.08,;10.22,-1.3,;10.82,-2.72,;12.34,-2.91,;12.93,-4.34,;14.16,-4.49,;12.19,-5.31,;13.28,-1.69,;14.81,-1.88,;15.74,-.65,;17.27,-.85,;18.2,.38,;17.6,1.8,;16.07,1.99,;15.14,.76,;18.52,3.03,;17.92,4.45,;16.7,4.6,;18.85,5.68,;18.37,6.82,;12.68,-.27,;11.15,5.32,;12.35,5.58,;10.32,6.24,;11.53,6.49,;7.88,4.18,;7.88,5.41,;6.53,3.39,)| Show InChI InChI=1S/C25H30F3N5O4.CH4O3S/c1-24(2)10-18-21(19(34)11-24)22(25(26,27)28)32-33(18)14-5-8-16(23(30)36)17(9-14)31-13-3-6-15(7-4-13)37-20(35)12-29;1-5(2,3)4/h5,8-9,13,15,31H,3-4,6-7,10-12,29H2,1-2H3,(H2,30,36);1H3,(H,2,3,4)/t13-,15-; | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
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| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description
Inhibition of Hsp90 in human A375 cells assessed as pS6 degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j
BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM19438
(4-{5-[(8aS)-octahydropyrrolo[1,2-a]piperazin-2-yl]...)Show SMILES Clc1ccc(cc1)-c1n[nH]c(N2CCN3CCC[C@H]3C2)c1-c1ccncc1 |r| Show InChI InChI=1S/C21H22ClN5/c22-17-5-3-16(4-6-17)20-19(15-7-9-23-10-8-15)21(25-24-20)27-13-12-26-11-1-2-18(26)14-27/h3-10,18H,1-2,11-14H2,(H,24,25)/t18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | 7.5 | 30 |
Pfizer
| Assay Description
Kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 50 uM ATP/[gamma-33P] ATP. 33P incorpor... |
J Med Chem 50: 5712-9 (2007)
Article DOI: 10.1021/jm0611915
BindingDB Entry DOI: 10.7270/Q20G3HD5 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM19437
(1-[3-(4-chlorophenyl)-4-(pyridin-4-yl)-1H-pyrazol-...)Show SMILES OC1CCN(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C19H19ClN4O/c20-15-3-1-14(2-4-15)18-17(13-5-9-21-10-6-13)19(23-22-18)24-11-7-16(25)8-12-24/h1-6,9-10,16,25H,7-8,11-12H2,(H,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | 7.5 | 30 |
Pfizer
| Assay Description
Kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 50 uM ATP/[gamma-33P] ATP. 33P incorpor... |
J Med Chem 50: 5712-9 (2007)
Article DOI: 10.1021/jm0611915
BindingDB Entry DOI: 10.7270/Q20G3HD5 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM19431
(4-[3-(4-chlorophenyl)-5-(3,5-dimethylpiperidin-1-y...)Show SMILES CC1CC(C)CN(C1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClN4/c1-14-11-15(2)13-26(12-14)21-19(16-7-9-23-10-8-16)20(24-25-21)17-3-5-18(22)6-4-17/h3-10,14-15H,11-13H2,1-2H3,(H,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | 7.5 | 30 |
Pfizer
| Assay Description
Kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 50 uM ATP/[gamma-33P] ATP. 33P incorpor... |
J Med Chem 50: 5712-9 (2007)
Article DOI: 10.1021/jm0611915
BindingDB Entry DOI: 10.7270/Q20G3HD5 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM19432
(4-[3-(4-chlorophenyl)-5-(4-methylpiperidin-1-yl)-1...)Show SMILES CC1CCN(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClN4/c1-14-8-12-25(13-9-14)20-18(15-6-10-22-11-7-15)19(23-24-20)16-2-4-17(21)5-3-16/h2-7,10-11,14H,8-9,12-13H2,1H3,(H,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | 7.5 | 30 |
Pfizer
| Assay Description
Kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 50 uM ATP/[gamma-33P] ATP. 33P incorpor... |
J Med Chem 50: 5712-9 (2007)
Article DOI: 10.1021/jm0611915
BindingDB Entry DOI: 10.7270/Q20G3HD5 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM19434
(2-[3-(4-chlorophenyl)-4-(pyridin-4-yl)-1H-pyrazol-...)Show SMILES Clc1ccc(cc1)-c1n[nH]c(N2CCc3ccccc3C2)c1-c1ccncc1 Show InChI InChI=1S/C23H19ClN4/c24-20-7-5-18(6-8-20)22-21(17-9-12-25-13-10-17)23(27-26-22)28-14-11-16-3-1-2-4-19(16)15-28/h1-10,12-13H,11,14-15H2,(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | 7.5 | 30 |
Pfizer
| Assay Description
Kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 50 uM ATP/[gamma-33P] ATP. 33P incorpor... |
J Med Chem 50: 5712-9 (2007)
Article DOI: 10.1021/jm0611915
BindingDB Entry DOI: 10.7270/Q20G3HD5 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM19436
(1-[3-(4-chlorophenyl)-4-(pyridin-4-yl)-1H-pyrazol-...)Show SMILES OC1CCCN(C1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C19H19ClN4O/c20-15-5-3-14(4-6-15)18-17(13-7-9-21-10-8-13)19(23-22-18)24-11-1-2-16(25)12-24/h3-10,16,25H,1-2,11-12H2,(H,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | 7.5 | 30 |
Pfizer
| Assay Description
Kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 50 uM ATP/[gamma-33P] ATP. 33P incorpor... |
J Med Chem 50: 5712-9 (2007)
Article DOI: 10.1021/jm0611915
BindingDB Entry DOI: 10.7270/Q20G3HD5 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM19433
(2-[3-(4-chlorophenyl)-4-(pyridin-4-yl)-1H-pyrazol-...)Show SMILES Clc1ccc(cc1)-c1n[nH]c(N2CCC3CCCCC3C2)c1-c1ccncc1 |w:14.15,19.19| Show InChI InChI=1S/C23H25ClN4/c24-20-7-5-18(6-8-20)22-21(17-9-12-25-13-10-17)23(27-26-22)28-14-11-16-3-1-2-4-19(16)15-28/h5-10,12-13,16,19H,1-4,11,14-15H2,(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | 7.5 | 30 |
Pfizer
| Assay Description
Kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 50 uM ATP/[gamma-33P] ATP. 33P incorpor... |
J Med Chem 50: 5712-9 (2007)
Article DOI: 10.1021/jm0611915
BindingDB Entry DOI: 10.7270/Q20G3HD5 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50480372
(CHEMBL562990)Show SMILES COc1cc(Nc2cc(ccc2C(N)=O)-n2c(C)cc3c2CC(C)(C)CC3=O)cc(OC)c1OC Show InChI InChI=1S/C27H31N3O5/c1-15-9-19-21(13-27(2,3)14-22(19)31)30(15)17-7-8-18(26(28)32)20(12-17)29-16-10-23(33-4)25(35-6)24(11-16)34-5/h7-12,29H,13-14H2,1-6H3,(H2,28,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description
Inhibition of Hsp90 in human AU565 cells assessed as Her2 degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j
BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM19429
(4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine | S...)Show InChI InChI=1S/C14H10FN3/c15-12-3-1-11(2-4-12)14-13(9-17-18-14)10-5-7-16-8-6-10/h1-9H,(H,17,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | 7.5 | 30 |
Pfizer
| Assay Description
Kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 50 uM ATP/[gamma-33P] ATP. 33P incorpor... |
J Med Chem 50: 5712-9 (2007)
Article DOI: 10.1021/jm0611915
BindingDB Entry DOI: 10.7270/Q20G3HD5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50480395
(CHEMBL559840)Show SMILES COc1ccc(Nc2cc(ccc2C(N)=O)-n2c(C)cc3c2CC(C)(C)CC3=O)cc1 Show InChI InChI=1S/C25H27N3O3/c1-15-11-20-22(13-25(2,3)14-23(20)29)28(15)17-7-10-19(24(26)30)21(12-17)27-16-5-8-18(31-4)9-6-16/h5-12,27H,13-14H2,1-4H3,(H2,26,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description
Inhibition of Hsp90 in human AU565 cells assessed as Her2 degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j
BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50480380
(CHEMBL552300)Show SMILES COc1cc(Nc2cc(ccc2C(N)=O)-n2cc(C)c3c2CCCC3=O)cc(OC)c1OC Show InChI InChI=1S/C25H27N3O5/c1-14-13-28(19-6-5-7-20(29)23(14)19)16-8-9-17(25(26)30)18(12-16)27-15-10-21(31-2)24(33-4)22(11-15)32-3/h8-13,27H,5-7H2,1-4H3,(H2,26,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description
Inhibition of Hsp90 in human AU565 cells assessed as Her2 degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j
BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50480373
(CHEMBL563335)Show SMILES COc1cc(Nc2cc(ccc2C(N)=O)-n2ccc3c2CC(C)(C)CC3=O)cc(OC)c1OC Show InChI InChI=1S/C26H29N3O5/c1-26(2)13-20-18(21(30)14-26)8-9-29(20)16-6-7-17(25(27)31)19(12-16)28-15-10-22(32-3)24(34-5)23(11-15)33-4/h6-12,28H,13-14H2,1-5H3,(H2,27,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description
Inhibition of Hsp90 in human AU565 cells assessed as Her2 degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j
BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50480379
(CHEMBL553939 | SNX-5422)Show SMILES CS(O)(=O)=O.CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(N[C@H]3CC[C@@H](CC3)OC(=O)CN)c2)C(F)(F)F)C(=O)C1 |r,wU:26.29,wD:23.22,(1.33,-.46,;1.33,.77,;1.33,2,;.27,.15,;2.4,.15,;6.56,.62,;6.53,1.85,;5.48,2.5,;7.88,1.07,;9.21,1.85,;9.21,3.39,;10.67,3.86,;11.57,2.64,;10.67,1.39,;11.15,-.08,;10.22,-1.3,;10.82,-2.72,;12.34,-2.91,;12.93,-4.34,;14.16,-4.49,;12.19,-5.31,;13.28,-1.69,;14.81,-1.88,;15.74,-.65,;17.27,-.85,;18.2,.38,;17.6,1.8,;16.07,1.99,;15.14,.76,;18.52,3.03,;17.92,4.45,;16.7,4.6,;18.85,5.68,;18.37,6.82,;12.68,-.27,;11.15,5.32,;12.35,5.58,;10.32,6.24,;11.53,6.49,;7.88,4.18,;7.88,5.41,;6.53,3.39,)| Show InChI InChI=1S/C25H30F3N5O4.CH4O3S/c1-24(2)10-18-21(19(34)11-24)22(25(26,27)28)32-33(18)14-5-8-16(23(30)36)17(9-14)31-13-3-6-15(7-4-13)37-20(35)12-29;1-5(2,3)4/h5,8-9,13,15,31H,3-4,6-7,10-12,29H2,1-2H3,(H2,30,36);1H3,(H,2,3,4)/t13-,15-; | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description
Inhibition of Hsp90 in human AU565 cells assessed as Her2 degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j
BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50480371
(CHEMBL554288)Show SMILES Cc1cc2c(CC(C)(C)CC2=O)n1-c1ccc(C(N)=O)c(Nc2ccccc2)c1 Show InChI InChI=1S/C24H25N3O2/c1-15-11-19-21(13-24(2,3)14-22(19)28)27(15)17-9-10-18(23(25)29)20(12-17)26-16-7-5-4-6-8-16/h4-12,26H,13-14H2,1-3H3,(H2,25,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description
Inhibition of Hsp90 in human AU565 cells assessed as Her2 degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j
BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50480378
(CHEMBL563608)Show SMILES Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc(C(N)=O)c(N[C@H]2CC[C@H](O)CC2)c1 |r,wU:22.23,wD:25.27,(2.14,2.41,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.35,-2,;-3.43,-.12,;-2.38,.77,;-1.03,1.55,;-1.03,2.79,;.3,.77,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.68,;3.35,-7.18,;4.53,-7.52,;2.46,-8.03,;4.09,-4.62,;5.57,-5.04,;6.68,-3.97,;6.3,-2.47,;7.41,-1.4,;8.89,-1.82,;9.77,-.96,;9.27,-3.32,;8.16,-4.39,;3.72,-3.12,)| Show InChI InChI=1S/C24H31N3O3/c1-14-13-27(20-11-24(2,3)12-21(29)22(14)20)16-6-9-18(23(25)30)19(10-16)26-15-4-7-17(28)8-5-15/h6,9-10,13,15,17,26,28H,4-5,7-8,11-12H2,1-3H3,(H2,25,30)/t15-,17- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description
Inhibition of Hsp90 in human AU565 cells assessed as Her2 degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j
BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50480393
(CHEMBL563500)Show SMILES CCc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(C(N)=O)c(N[C@H]2CC[C@H](O)CC2)c1 |r,wU:23.24,wD:26.28,(3.45,2.95,;2.24,2.7,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.35,-2,;-3.43,-.12,;-2.38,.77,;-1.03,1.55,;-1.03,2.79,;.3,.77,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.68,;3.35,-7.18,;4.53,-7.52,;2.46,-8.03,;4.09,-4.62,;5.57,-5.04,;6.68,-3.97,;6.3,-2.47,;7.41,-1.4,;8.89,-1.82,;9.77,-.96,;9.27,-3.32,;8.16,-4.39,;3.72,-3.12,)| Show InChI InChI=1S/C24H32N4O3/c1-4-18-22-20(12-24(2,3)13-21(22)30)28(27-18)15-7-10-17(23(25)31)19(11-15)26-14-5-8-16(29)9-6-14/h7,10-11,14,16,26,29H,4-6,8-9,12-13H2,1-3H3,(H2,25,31)/t14-,16- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description
Inhibition of Hsp90 in human AU565 cells assessed as Her2 degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j
BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50480370
(CHEMBL562929)Show SMILES CCCCNc1cc(ccc1C(N)=O)-n1c(C)cc2c1CC(C)(C)CC2=O Show InChI InChI=1S/C22H29N3O2/c1-5-6-9-24-18-11-15(7-8-16(18)21(23)27)25-14(2)10-17-19(25)12-22(3,4)13-20(17)26/h7-8,10-11,24H,5-6,9,12-13H2,1-4H3,(H2,23,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description
Inhibition of Hsp90 in human AU565 cells assessed as Her2 degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j
BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50480369
(CHEMBL557479)Show SMILES CCCCCc1cc(ccc1C(N)=O)-n1c(C)cc2c1CC(C)(C)CC2=O Show InChI InChI=1S/C23H30N2O2/c1-5-6-7-8-16-12-17(9-10-18(16)22(24)27)25-15(2)11-19-20(25)13-23(3,4)14-21(19)26/h9-12H,5-8,13-14H2,1-4H3,(H2,24,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description
Inhibition of Hsp90 in human AU565 cells assessed as Her2 degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j
BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50480368
(CHEMBL559642)Show SMILES CCCCOc1cc(ccc1C(N)=O)-n1c(C)cc2c1CC(C)(C)CC2=O Show InChI InChI=1S/C22H28N2O3/c1-5-6-9-27-20-11-15(7-8-16(20)21(23)26)24-14(2)10-17-18(24)12-22(3,4)13-19(17)25/h7-8,10-11H,5-6,9,12-13H2,1-4H3,(H2,23,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description
Inhibition of Hsp90 in human AU565 cells assessed as Her2 degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j
BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50450704
(CHEMBL560895 | SNX-2112)Show SMILES CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)C(F)(F)F)C(=O)C1 |r,wU:18.18,wD:21.22,(-2.35,-2,;-2.38,-.77,;-3.43,-.12,;-1.03,-1.55,;.3,-.77,;.3,.77,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.68,;3.35,-7.18,;4.53,-7.52,;2.46,-8.03,;4.09,-4.62,;5.57,-5.04,;6.68,-3.97,;6.3,-2.47,;7.41,-1.4,;8.89,-1.82,;9.77,-.96,;9.27,-3.32,;8.16,-4.39,;3.72,-3.12,;2.24,2.7,;3.44,2.95,;1.41,3.61,;2.62,3.87,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,)| Show InChI InChI=1S/C23H27F3N4O3/c1-22(2)10-17-19(18(32)11-22)20(23(24,25)26)29-30(17)13-5-8-15(21(27)33)16(9-13)28-12-3-6-14(31)7-4-12/h5,8-9,12,14,28,31H,3-4,6-7,10-11H2,1-2H3,(H2,27,33)/t12-,14- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description
Inhibition of Hsp90 in human AU565 cells assessed as Her2 degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j
BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50480392
(CHEMBL556391)Show SMILES COCCNc1cc(ccc1C(N)=O)-n1c(C)cc2c1CC(C)(C)CC2=O Show InChI InChI=1S/C21H27N3O3/c1-13-9-16-18(11-21(2,3)12-19(16)25)24(13)14-5-6-15(20(22)26)17(10-14)23-7-8-27-4/h5-6,9-10,23H,7-8,11-12H2,1-4H3,(H2,22,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description
Inhibition of Hsp90 in human AU565 cells assessed as Her2 degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j
BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50480398
(CHEMBL560156)Show SMILES Cc1cc2c(CC(C)(C)CC2=O)n1-c1ccc(C(N)=O)c(Sc2ccccc2)c1 Show InChI InChI=1S/C24H24N2O2S/c1-15-11-19-20(13-24(2,3)14-21(19)27)26(15)16-9-10-18(23(25)28)22(12-16)29-17-7-5-4-6-8-17/h4-12H,13-14H2,1-3H3,(H2,25,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description
Inhibition of Hsp90 in human AU565 cells assessed as Her2 degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j
BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50480394
(CHEMBL561019)Show SMILES CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)C(F)F)C(=O)C1 |r,wU:18.18,wD:21.22,(-3.43,-.12,;-2.38,-.77,;-2.35,-2,;-1.03,-1.55,;.3,-.77,;.3,.77,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.68,;3.35,-7.18,;4.53,-7.52,;2.46,-8.03,;4.09,-4.62,;5.57,-5.04,;6.68,-3.97,;6.3,-2.47,;7.41,-1.4,;8.89,-1.82,;9.77,-.96,;9.27,-3.32,;8.16,-4.39,;3.72,-3.12,;2.24,2.7,;3.45,2.95,;1.42,3.61,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,)| Show InChI InChI=1S/C23H28F2N4O3/c1-23(2)10-17-19(18(31)11-23)20(21(24)25)28-29(17)13-5-8-15(22(26)32)16(9-13)27-12-3-6-14(30)7-4-12/h5,8-9,12,14,21,27,30H,3-4,6-7,10-11H2,1-2H3,(H2,26,32)/t12-,14- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description
Inhibition of Hsp90 in human AU565 cells assessed as Her2 degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j
BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50480375
(CHEMBL564211)Show SMILES Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(C(N)=O)c(N[C@H]2CC[C@H](O)CC2)c1 |r,wU:22.23,wD:25.27,(34.41,-41.32,;33.78,-39.91,;32.27,-39.59,;32.11,-38.07,;33.52,-37.43,;33.98,-35.97,;35.49,-35.66,;35.48,-34.11,;36.57,-34.55,;36.52,-36.8,;36.04,-38.26,;37.07,-39.4,;34.54,-38.58,;30.77,-37.3,;29.44,-38.07,;28.11,-37.3,;28.11,-35.76,;26.77,-34.99,;25.44,-35.76,;26.77,-33.45,;29.43,-34.99,;29.43,-33.45,;30.76,-32.67,;30.75,-31.14,;32.09,-30.36,;33.42,-31.13,;34.76,-30.36,;33.42,-32.68,;32.09,-33.44,;30.77,-35.75,)| Show InChI InChI=1S/C23H30N4O3/c1-13-21-19(11-23(2,3)12-20(21)29)27(26-13)15-6-9-17(22(24)30)18(10-15)25-14-4-7-16(28)8-5-14/h6,9-10,14,16,25,28H,4-5,7-8,11-12H2,1-3H3,(H2,24,30)/t14-,16- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description
Inhibition of Hsp90 in human AU565 cells assessed as Her2 degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j
BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50480402
(CHEMBL561497)Show SMILES CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(NC3CCSCC3)c2)C(F)F)C(=O)C1 Show InChI InChI=1S/C22H26F2N4O2S/c1-22(2)10-16-18(17(29)11-22)19(20(23)24)27-28(16)13-3-4-14(21(25)30)15(9-13)26-12-5-7-31-8-6-12/h3-4,9,12,20,26H,5-8,10-11H2,1-2H3,(H2,25,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description
Inhibition of Hsp90 in human AU565 cells assessed as Her2 degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j
BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50480376
(CHEMBL558876)Show SMILES CC1(C)Cc2c(c(CC3CC3)nn2-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)C(=O)C1 |r,wU:22.23,wD:25.27,(-2.35,-2,;-2.38,-.77,;-3.43,-.12,;-1.03,-1.55,;.3,-.77,;.3,.77,;1.76,1.24,;2.24,2.7,;3.75,3.01,;4.8,4.02,;5.12,2.51,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.68,;3.35,-7.18,;4.53,-7.52,;2.46,-8.03,;4.09,-4.62,;5.57,-5.04,;6.68,-3.97,;6.3,-2.47,;7.41,-1.4,;8.89,-1.82,;9.77,-.96,;9.27,-3.32,;8.16,-4.39,;3.72,-3.12,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,)| Show InChI InChI=1S/C26H34N4O3/c1-26(2)13-22-24(23(32)14-26)21(11-15-3-4-15)29-30(22)17-7-10-19(25(27)33)20(12-17)28-16-5-8-18(31)9-6-16/h7,10,12,15-16,18,28,31H,3-6,8-9,11,13-14H2,1-2H3,(H2,27,33)/t16-,18- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description
Inhibition of Hsp90 in human AU565 cells assessed as Her2 degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j
BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50480381
(CHEMBL538683)Show SMILES Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(C(N)=O)c(NC2CCOCC2)c1 Show InChI InChI=1S/C22H28N4O3/c1-13-20-18(11-22(2,3)12-19(20)27)26(25-13)15-4-5-16(21(23)28)17(10-15)24-14-6-8-29-9-7-14/h4-5,10,14,24H,6-9,11-12H2,1-3H3,(H2,23,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description
Inhibition of Hsp90 in human AU565 cells assessed as Her2 degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j
BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50121656
(CHEMBL3616869)Show InChI InChI=1S/C14H12N2O3S/c1-20-12-5-2-10(3-6-12)9-15-13-8-11(16(18)19)4-7-14(13)17/h2-9,17H,1H3/b15-9+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.21E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian Medical University
Curated by ChEMBL
| Assay Description
Binding affinity to N-terminal His-tagged recombinant human CDK2 (1 to 298 amino acid residues) expressed in Escherichia coli BL21 assessed as inhibi... |
Bioorg Med Chem Lett 25: 4069-73 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.050
BindingDB Entry DOI: 10.7270/Q261123C |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50121656
(CHEMBL3616869)Show InChI InChI=1S/C14H12N2O3S/c1-20-12-5-2-10(3-6-12)9-15-13-8-11(16(18)19)4-7-14(13)17/h2-9,17H,1H3/b15-9+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.51E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian Medical University
Curated by ChEMBL
| Assay Description
Binding affinity to N-terminal His-tagged recombinant human CDK2 (1 to 298 amino acid residues) expressed in Escherichia coli BL21 assessed as inhibi... |
Bioorg Med Chem Lett 25: 4069-73 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.050
BindingDB Entry DOI: 10.7270/Q261123C |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50121656
(CHEMBL3616869)Show InChI InChI=1S/C14H12N2O3S/c1-20-12-5-2-10(3-6-12)9-15-13-8-11(16(18)19)4-7-14(13)17/h2-9,17H,1H3/b15-9+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.82E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian Medical University
Curated by ChEMBL
| Assay Description
Binding affinity to N-terminal His-tagged recombinant human CDK2 (1 to 298 amino acid residues) expressed in Escherichia coli BL21 assessed as inhibi... |
Bioorg Med Chem Lett 25: 4069-73 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.050
BindingDB Entry DOI: 10.7270/Q261123C |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50480390
(CHEMBL549744)Show SMILES Cc1c(C)n(c2CC(C)(C)CC(=O)c12)-c1ccc(C(N)=O)c(N[C@H]2CC[C@H](O)CC2)c1 |r,wU:23.24,wD:26.28,(2.14,2.41,;1.76,1.24,;2.66,.02,;3.89,.03,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.35,-2,;-3.43,-.12,;-2.38,.77,;-1.03,1.55,;-1.03,2.79,;.3,.77,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.68,;3.35,-7.18,;4.53,-7.52,;2.46,-8.03,;4.09,-4.62,;5.57,-5.04,;6.68,-3.97,;6.3,-2.47,;7.41,-1.4,;8.89,-1.82,;9.77,-.96,;9.27,-3.32,;8.16,-4.39,;3.72,-3.12,)| Show InChI InChI=1S/C25H33N3O3/c1-14-15(2)28(21-12-25(3,4)13-22(30)23(14)21)17-7-10-19(24(26)31)20(11-17)27-16-5-8-18(29)9-6-16/h7,10-11,16,18,27,29H,5-6,8-9,12-13H2,1-4H3,(H2,26,31)/t16-,18- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc
Curated by ChEMBL
| Assay Description
Inhibition of Hsp90 in human AU565 cells assessed as Her2 degradation after 24 hrs by high content screening |
J Med Chem 52: 4288-305 (2009)
Article DOI: 10.1021/jm900230j
BindingDB Entry DOI: 10.7270/Q2MK6GQJ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50121656
(CHEMBL3616869)Show InChI InChI=1S/C14H12N2O3S/c1-20-12-5-2-10(3-6-12)9-15-13-8-11(16(18)19)4-7-14(13)17/h2-9,17H,1H3/b15-9+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.98E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian Medical University
Curated by ChEMBL
| Assay Description
Binding affinity to N-terminal His-tagged recombinant human CDK2 (1 to 298 amino acid residues) expressed in Escherichia coli BL21 assessed as inhibi... |
Bioorg Med Chem Lett 25: 4069-73 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.050
BindingDB Entry DOI: 10.7270/Q261123C |
More data for this
Ligand-Target Pair | |
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