Found 514 hits with Last Name = 'rye' and Initial = 'c' 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 |
Pirin
(Homo sapiens (Human)) | BDBM50234078
![PNG](/data/jpeg/tenK5023/BindingDB_50234078.png) (CHEMBL4087666 | US9701664, Example 63)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCN3CCCC3)ccc2c1 Show InChI InChI=1S/C32H32N4O5/c1-21-4-8-25(33-31(37)24-6-10-28-29(19-24)40-17-16-39-28)20-27(21)35-32(38)23-5-9-26-22(18-23)7-11-30(34-26)41-15-14-36-12-2-3-13-36/h4-11,18-20H,2-3,12-17H2,1H3,(H,33,37)(H,35,38) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of bisamide probe binding to pirin in human SKOV3 cells by SILAC-based quantitative mass spectrometry pull down assay |
J Med Chem 60: 180-201 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01055 BindingDB Entry DOI: 10.7270/Q2KW5J9D |
More data for this Ligand-Target Pair | |
Pirin
(Homo sapiens (Human)) | BDBM50234079
![PNG](/data/jpeg/tenK5023/BindingDB_50234079.png) (CHEMBL4096048 | US9701664, Example 80)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2NCCCc2c1 Show InChI InChI=1S/C26H25N3O4/c1-16-4-7-20(28-25(30)19-6-9-23-24(14-19)33-12-11-32-23)15-22(16)29-26(31)18-5-8-21-17(13-18)3-2-10-27-21/h4-9,13-15,27H,2-3,10-12H2,1H3,(H,28,30)(H,29,31) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of bisamide probe binding to pirin in human SKOV3 cells by SILAC-based quantitative mass spectrometry pull down assay |
J Med Chem 60: 180-201 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01055 BindingDB Entry DOI: 10.7270/Q2KW5J9D |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM25121
![PNG](/data/jpeg/tenK2/BindingDB_25121.png) (4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 0.830 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of PLK1 (unknown origin) |
ACS Med Chem Lett 9: 1199-1204 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00364 BindingDB Entry DOI: 10.7270/Q2GQ7214 |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610355
![PNG](/data/jpeg/tenK61/BindingDB_610355.png) (N-(5-amino-2-((dimethylamino)methyl)phenyl)-2-meth...) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50020938
![PNG](/data/jpeg/tenK5002/BindingDB_50020938.png) (CHEMBL3287301)Show SMILES OC(=O)c1nc(sc1CCCOc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C30H26N4O4S2/c35-27(33-29-31-23-12-4-5-13-24(23)39-29)21-11-6-8-19-15-16-34(18-22(19)21)30-32-26(28(36)37)25(40-30)14-7-17-38-20-9-2-1-3-10-20/h1-6,8-13H,7,14-18H2,(H,36,37)(H,31,33,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Displacement of 26-mer BIMBH3 peptide from GST-tagged Bcl-Xl (unknown origin) by AlphaScreen assay |
ACS Med Chem Lett 5: 662-7 (2014)
Article DOI: 10.1021/ml500030p BindingDB Entry DOI: 10.7270/Q2KP83QG |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50029085
![PNG](/data/jpeg/tenK5002/BindingDB_50029085.png) (CHEBI:83405 | CHEMBL525191 | GDC-0879)Show SMILES OCCn1cc(c(n1)-c1ccncc1)-c1ccc2\C(CCc2c1)=N\O Show InChI InChI=1S/C19H18N4O2/c24-10-9-23-12-17(19(21-23)13-5-7-20-8-6-13)15-1-3-16-14(11-15)2-4-18(16)22-25/h1,3,5-8,11-12,24-25H,2,4,9-10H2/b22-18+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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CHEMBL MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of recombinant human GST-tagged BRAF V600E mutant expressed in baculovirus expression system |
ACS Med Chem Lett 9: 1199-1204 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00364 BindingDB Entry DOI: 10.7270/Q2GQ7214 |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50430022
![PNG](/data/jpeg/tenK5043/BindingDB_50430022.png) (CHEMBL2144069)Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(C)(C)C#N)cc1Nc1ccc2ncn(C)c(=O)c2c1 Show InChI InChI=1S/C27H25N5O2/c1-17-8-9-21(31-25(33)18-6-5-7-19(12-18)27(2,3)15-28)14-24(17)30-20-10-11-23-22(13-20)26(34)32(4)16-29-23/h5-14,16,30H,1-4H3,(H,31,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of recombinant human GST-tagged BRAF V600E mutant expressed in baculovirus expression system |
ACS Med Chem Lett 9: 1199-1204 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00364 BindingDB Entry DOI: 10.7270/Q2GQ7214 |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50428286
![PNG](/data/jpeg/tenK5042/BindingDB_50428286.png) (DABRAFENIB | GSK2118436A)Show SMILES CC(C)(C)c1nc(c(s1)-c1ccnc(N)n1)-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F Show InChI InChI=1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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DrugBank MCE PC cid PC sid PDB UniChem
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of recombinant human GST-tagged BRAF V600E mutant expressed in baculovirus expression system |
ACS Med Chem Lett 9: 1199-1204 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00364 BindingDB Entry DOI: 10.7270/Q2GQ7214 |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610135
![PNG](/data/jpeg/tenK61/BindingDB_610135.png) ((R)-N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbox...)Show SMILES CN1CC[C@H](C1)Oc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM99471
![PNG](/data/jpeg/tenK9/BindingDB_99471.png) (US8497274, 32)Show SMILES Fc1ccc(Oc2ccc3nc(NC(=O)C4CC4)sc3c2C#N)cc1NC(=O)Cc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C27H18F4N4O3S/c28-19-7-6-17(12-21(19)33-23(36)11-14-2-1-3-16(10-14)27(29,30)31)38-22-9-8-20-24(18(22)13-32)39-26(34-20)35-25(37)15-4-5-15/h1-3,6-10,12,15H,4-5,11H2,(H,33,36)(H,34,35,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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MCE MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of recombinant human GST-tagged BRAF V600E mutant expressed in baculovirus expression system |
ACS Med Chem Lett 9: 1199-1204 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00364 BindingDB Entry DOI: 10.7270/Q2GQ7214 |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM50234074
![PNG](/data/jpeg/tenK5023/BindingDB_50234074.png) (CHEMBL4070633 | US9701664, Example 39)Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C Show InChI InChI=1S/C27H23N3O4/c1-16-3-8-21(29-26(31)20-7-10-24-25(14-20)34-12-11-33-24)15-23(16)30-27(32)19-6-9-22-18(13-19)5-4-17(2)28-22/h3-10,13-15H,11-12H2,1-2H3,(H,29,31)(H,30,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of 17-AAG-induced HSF1 pathway in human U20S cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addit... |
J Med Chem 60: 180-201 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01055 BindingDB Entry DOI: 10.7270/Q2KW5J9D |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM50234074
![PNG](/data/jpeg/tenK5023/BindingDB_50234074.png) (CHEMBL4070633 | US9701664, Example 39)Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C Show InChI InChI=1S/C27H23N3O4/c1-16-3-8-21(29-26(31)20-7-10-24-25(14-20)34-12-11-33-24)15-23(16)30-27(32)19-6-9-22-18(13-19)5-4-17(2)28-22/h3-10,13-15H,11-12H2,1-2H3,(H,29,31)(H,30,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of 17-AAG-induced HSF1 pathway in human U20S cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addit... |
J Med Chem 60: 180-201 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01055 BindingDB Entry DOI: 10.7270/Q2KW5J9D |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610136
![PNG](/data/jpeg/tenK61/BindingDB_610136.png) (N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES CN1CCC(CC1)Oc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610145
![PNG](/data/jpeg/tenK61/BindingDB_610145.png) (N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCCN3CCCC3)ccc2c1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610253
![PNG](/data/jpeg/tenK61/BindingDB_610253.png) (N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1cc(F)c2ncccc2c1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610137
![PNG](/data/jpeg/tenK61/BindingDB_610137.png) (N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES CN(C)CCCOc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610133
![PNG](/data/jpeg/tenK61/BindingDB_610133.png) (N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1cnc2ccccc2c1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50020936
![PNG](/data/jpeg/tenK5002/BindingDB_50020936.png) (CHEMBL3287299)Show SMILES OC(=O)c1nc(ccc1\C=C\Cc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C32H26N4O3S/c37-30(35-32-33-26-14-4-5-15-27(26)40-32)24-13-7-11-22-18-19-36(20-25(22)24)28-17-16-23(29(34-28)31(38)39)12-6-10-21-8-2-1-3-9-21/h1-9,11-17H,10,18-20H2,(H,38,39)(H,33,35,37)/b12-6+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Displacement of 26-mer BIMBH3 peptide from GST-tagged Bcl-Xl (unknown origin) by AlphaScreen assay |
ACS Med Chem Lett 5: 662-7 (2014)
Article DOI: 10.1021/ml500030p BindingDB Entry DOI: 10.7270/Q2KP83QG |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610132
![PNG](/data/jpeg/tenK61/BindingDB_610132.png) (N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2cnccc2c1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610355
![PNG](/data/jpeg/tenK61/BindingDB_610355.png) (N-(5-amino-2-((dimethylamino)methyl)phenyl)-2-meth...) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50428286
![PNG](/data/jpeg/tenK5042/BindingDB_50428286.png) (DABRAFENIB | GSK2118436A)Show SMILES CC(C)(C)c1nc(c(s1)-c1ccnc(N)n1)-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F Show InChI InChI=1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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DrugBank MCE PC cid PC sid PDB UniChem
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full length GST-tagged BRAF expressed in baculovirus expression system |
ACS Med Chem Lett 9: 1199-1204 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00364 BindingDB Entry DOI: 10.7270/Q2GQ7214 |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM50234073
![PNG](/data/jpeg/tenK5023/BindingDB_50234073.png) (CHEMBL4063330 | US9701664, Example 1)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2ncccc2c1 Show InChI InChI=1S/C26H21N3O4/c1-16-4-7-20(28-25(30)19-6-9-23-24(14-19)33-12-11-32-23)15-22(16)29-26(31)18-5-8-21-17(13-18)3-2-10-27-21/h2-10,13-15H,11-12H2,1H3,(H,28,30)(H,29,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM50234082
![PNG](/data/jpeg/tenK5023/BindingDB_50234082.png) (CHEMBL4088624 | US9701664, Example 52)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCCN3CCCCC3)ccc2c1 Show InChI InChI=1S/C34H36N4O5/c1-23-6-10-27(35-33(39)26-8-12-30-31(21-26)42-19-18-41-30)22-29(23)37-34(40)25-7-11-28-24(20-25)9-13-32(36-28)43-17-5-16-38-14-3-2-4-15-38/h6-13,20-22H,2-5,14-19H2,1H3,(H,35,39)(H,37,40) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Patents
| | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50020939
![PNG](/data/jpeg/tenK5002/BindingDB_50020939.png) (CHEMBL3287302)Show SMILES OC(=O)c1nc(sc1CCCCOc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C31H28N4O4S2/c36-28(34-30-32-24-13-4-5-14-25(24)40-30)22-12-8-9-20-16-17-35(19-23(20)22)31-33-27(29(37)38)26(41-31)15-6-7-18-39-21-10-2-1-3-11-21/h1-5,8-14H,6-7,15-19H2,(H,37,38)(H,32,34,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Displacement of 26-mer BIMBH3 peptide from GST-tagged Bcl-Xl (unknown origin) by AlphaScreen assay |
ACS Med Chem Lett 5: 662-7 (2014)
Article DOI: 10.1021/ml500030p BindingDB Entry DOI: 10.7270/Q2KP83QG |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM50234090
![PNG](/data/jpeg/tenK5023/BindingDB_50234090.png) (CHEMBL4069552 | US9701664, Example 2)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2ccncc2c1 Show InChI InChI=1S/C26H21N3O4/c1-16-2-6-21(28-25(30)19-5-7-23-24(13-19)33-11-10-32-23)14-22(16)29-26(31)18-4-3-17-8-9-27-15-20(17)12-18/h2-9,12-15H,10-11H2,1H3,(H,28,30)(H,29,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610022
![PNG](/data/jpeg/tenK61/BindingDB_610022.png) (N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES COCCOc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610140
![PNG](/data/jpeg/tenK61/BindingDB_610140.png) ((S)-N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbox...)Show SMILES CN1CCC[C@H]1COc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610140
![PNG](/data/jpeg/tenK61/BindingDB_610140.png) ((S)-N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbox...)Show SMILES CN1CCC[C@H]1COc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610143
![PNG](/data/jpeg/tenK61/BindingDB_610143.png) (N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCN3CCCCC3)ccc2c1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM50234078
![PNG](/data/jpeg/tenK5023/BindingDB_50234078.png) (CHEMBL4087666 | US9701664, Example 63)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCN3CCCC3)ccc2c1 Show InChI InChI=1S/C32H32N4O5/c1-21-4-8-25(33-31(37)24-6-10-28-29(19-24)40-17-16-39-28)20-27(21)35-32(38)23-5-9-26-22(18-23)7-11-30(34-26)41-15-14-36-12-2-3-13-36/h4-11,18-20H,2-3,12-17H2,1H3,(H,33,37)(H,35,38) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610162
![PNG](/data/jpeg/tenK61/BindingDB_610162.png) ((S)-N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbox...)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCN3CC[C@H](F)C3)ccc2c1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM99471
![PNG](/data/jpeg/tenK9/BindingDB_99471.png) (US8497274, 32)Show SMILES Fc1ccc(Oc2ccc3nc(NC(=O)C4CC4)sc3c2C#N)cc1NC(=O)Cc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C27H18F4N4O3S/c28-19-7-6-17(12-21(19)33-23(36)11-14-2-1-3-16(10-14)27(29,30)31)38-22-9-8-20-24(18(22)13-32)39-26(34-20)35-25(37)15-4-5-15/h1-3,6-10,12,15H,4-5,11H2,(H,33,36)(H,34,35,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
MCE MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full length GST-tagged BRAF expressed in baculovirus expression system |
ACS Med Chem Lett 9: 1199-1204 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00364 BindingDB Entry DOI: 10.7270/Q2GQ7214 |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610135
![PNG](/data/jpeg/tenK61/BindingDB_610135.png) ((R)-N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbox...)Show SMILES CN1CC[C@H](C1)Oc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM50234074
![PNG](/data/jpeg/tenK5023/BindingDB_50234074.png) (CHEMBL4070633 | US9701664, Example 39)Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C Show InChI InChI=1S/C27H23N3O4/c1-16-3-8-21(29-26(31)20-7-10-24-25(14-20)34-12-11-33-24)15-23(16)30-27(32)19-6-9-22-18(13-19)5-4-17(2)28-22/h3-10,13-15H,11-12H2,1-2H3,(H,29,31)(H,30,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610377
![PNG](/data/jpeg/tenK61/BindingDB_610377.png) (N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES Fc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCCN3CCCC3)ccc2c1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610256
![PNG](/data/jpeg/tenK61/BindingDB_610256.png) (N-(2-bromo-5-(2,3-dihydrobenzo[b][1,4]dioxine-6-ca...)Show SMILES Brc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2ncccc2c1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610136
![PNG](/data/jpeg/tenK61/BindingDB_610136.png) (N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES CN1CCC(CC1)Oc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610137
![PNG](/data/jpeg/tenK61/BindingDB_610137.png) (N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES CN(C)CCCOc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610023
![PNG](/data/jpeg/tenK61/BindingDB_610023.png) (N-(4-methyl-3-(2-oxo-2H-chromene-6-carboxamido)phe...)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2oc(=O)ccc2c1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610181
![PNG](/data/jpeg/tenK61/BindingDB_610181.png) (N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES CNCCCOc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610143
![PNG](/data/jpeg/tenK61/BindingDB_610143.png) (N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCN3CCCCC3)ccc2c1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610128
![PNG](/data/jpeg/tenK61/BindingDB_610128.png) (N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1cnc2cnccc2c1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610133
![PNG](/data/jpeg/tenK61/BindingDB_610133.png) (N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1cnc2ccccc2c1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610132
![PNG](/data/jpeg/tenK61/BindingDB_610132.png) (N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2cnccc2c1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM50234073
![PNG](/data/jpeg/tenK5023/BindingDB_50234073.png) (CHEMBL4063330 | US9701664, Example 1)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2ncccc2c1 Show InChI InChI=1S/C26H21N3O4/c1-16-4-7-20(28-25(30)19-6-9-23-24(14-19)33-12-11-32-23)15-22(16)29-26(31)18-5-8-21-17(13-18)3-2-10-27-21/h2-10,13-15H,11-12H2,1H3,(H,28,30)(H,29,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi... |
J Med Chem 60: 180-201 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01055 BindingDB Entry DOI: 10.7270/Q2KW5J9D |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM50234073
![PNG](/data/jpeg/tenK5023/BindingDB_50234073.png) (CHEMBL4063330 | US9701664, Example 1)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2ncccc2c1 Show InChI InChI=1S/C26H21N3O4/c1-16-4-7-20(28-25(30)19-6-9-23-24(14-19)33-12-11-32-23)15-22(16)29-26(31)18-5-8-21-17(13-18)3-2-10-27-21/h2-10,13-15H,11-12H2,1H3,(H,28,30)(H,29,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi... |
J Med Chem 60: 180-201 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01055 BindingDB Entry DOI: 10.7270/Q2KW5J9D |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610167
![PNG](/data/jpeg/tenK61/BindingDB_610167.png) (N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES CC(COc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C)N1CCCC1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM50234082
![PNG](/data/jpeg/tenK5023/BindingDB_50234082.png) (CHEMBL4088624 | US9701664, Example 52)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCCN3CCCCC3)ccc2c1 Show InChI InChI=1S/C34H36N4O5/c1-23-6-10-27(35-33(39)26-8-12-30-31(21-26)42-19-18-41-30)22-29(23)37-34(40)25-7-11-28-24(20-25)9-13-32(36-28)43-17-5-16-38-14-3-2-4-15-38/h6-13,20-22H,2-5,14-19H2,1H3,(H,35,39)(H,37,40) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Patents
| | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610149
![PNG](/data/jpeg/tenK61/BindingDB_610149.png) (2-(2-(azetidin-1-yl)ethoxy)-N-(5-(2,3-dihydrobenzo...)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCN3CCC3)ccc2c1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610145
![PNG](/data/jpeg/tenK61/BindingDB_610145.png) (N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCCN3CCCC3)ccc2c1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |