Found 335 hits with Last Name = 'dinh' and Initial = 'dm' 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 |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM4779
(CHEMBL31965 | CHEMBL545315 | CI-1033 | Canertinib ...)Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl Show InChI InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29) | PDB
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UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Reversible binding affinity to human EGFR L858R/ T790M double mutant expressed in baculovirus by fluorometric analysis |
J Med Chem 59: 2005-24 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01633 BindingDB Entry DOI: 10.7270/Q2KS6TDD |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50112173
(CHEMBL3608429)Show SMILES CC(C)n1cnc2c(Nc3cnn(C)c3)nc(nc12)N1C[C@@H](F)[C@@H](C1)NC(=O)C=C |r| Show InChI InChI=1S/C19H24FN9O/c1-5-15(30)24-14-9-28(8-13(14)20)19-25-17(23-12-6-22-27(4)7-12)16-18(26-19)29(10-21-16)11(2)3/h5-7,10-11,13-14H,1,8-9H2,2-4H3,(H,24,30)(H,23,25,26)/t13-,14-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wuxi AppTec
Curated by ChEMBL
| Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) |
J Med Chem 60: 3002-3019 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01894 BindingDB Entry DOI: 10.7270/Q25X2CJZ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50159358
(CHEMBL3787386)Show SMILES Fc1ccc(Nc2ncnc3cc(OCC#C)c(NC(=O)C=C)cc23)cc1Cl Show InChI InChI=1S/C20H14ClFN4O2/c1-3-7-28-18-10-16-13(9-17(18)26-19(27)4-2)20(24-11-23-16)25-12-5-6-15(22)14(21)8-12/h1,4-6,8-11H,2,7H2,(H,26,27)(H,23,24,25) | PDB
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UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Reversible binding affinity to human EGFR L858R/ T790M double mutant expressed in baculovirus by fluorometric analysis |
J Med Chem 59: 2005-24 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01633 BindingDB Entry DOI: 10.7270/Q2KS6TDD |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50159347
(CHEMBL3787662 | US9586965, Cpd 1)Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cc[nH]c3n2)cc1 Show InChI InChI=1S/C26H27N7O2/c1-3-23(34)28-19-5-4-6-21(17-19)35-25-22-11-12-27-24(22)30-26(31-25)29-18-7-9-20(10-8-18)33-15-13-32(2)14-16-33/h3-12,17H,1,13-16H2,2H3,(H,28,34)(H2,27,29,30,31) | PDB
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UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Reversible binding affinity to human EGFR L858R/ T790M double mutant expressed in baculovirus by fluorometric analysis |
J Med Chem 59: 2005-24 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01633 BindingDB Entry DOI: 10.7270/Q2KS6TDD |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50450885
(CHEMBL4216749)Show SMILES CN(C)CCn1cc(Nc2nc(Oc3cccc(NC(=O)C=C)c3F)c3cc[nH]c3n2)cn1 Show InChI InChI=1S/C22H23FN8O2/c1-4-18(32)27-16-6-5-7-17(19(16)23)33-21-15-8-9-24-20(15)28-22(29-21)26-14-12-25-31(13-14)11-10-30(2)3/h4-9,12-13H,1,10-11H2,2-3H3,(H,27,32)(H2,24,26,28,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wuxi AppTec
Curated by ChEMBL
| Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) |
J Med Chem 60: 3002-3019 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01894 BindingDB Entry DOI: 10.7270/Q25X2CJZ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50450884
(CHEMBL4211782)Show SMILES CN(C)CCn1cc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cc[nH]c3n2)cn1 Show InChI InChI=1S/C22H24N8O2/c1-4-19(31)25-15-6-5-7-17(12-15)32-21-18-8-9-23-20(18)27-22(28-21)26-16-13-24-30(14-16)11-10-29(2)3/h4-9,12-14H,1,10-11H2,2-3H3,(H,25,31)(H2,23,26,27,28) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wuxi AppTec
Curated by ChEMBL
| Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) |
J Med Chem 60: 3002-3019 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01894 BindingDB Entry DOI: 10.7270/Q25X2CJZ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50450887
(CHEMBL4211367)Show SMILES Cn1cc(Nc2nc(N[C@H]3CN(C[C@@H]3F)C(=O)C=C)c3c(Cl)c[nH]c3n2)cn1 |r| Show InChI InChI=1S/C17H18ClFN8O/c1-3-13(28)27-7-11(19)12(8-27)23-16-14-10(18)5-20-15(14)24-17(25-16)22-9-4-21-26(2)6-9/h3-6,11-12H,1,7-8H2,2H3,(H3,20,22,23,24,25)/t11-,12-/m0/s1 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wuxi AppTec
Curated by ChEMBL
| Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) |
J Med Chem 60: 3002-3019 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01894 BindingDB Entry DOI: 10.7270/Q25X2CJZ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50159352
(CHEMBL3786802)Show SMILES Cn1cc(Nc2nc(OC[C@H]3CN(C[C@@H]3C(F)(F)F)C(=O)C=C)c3c(Cl)c[nH]c3n2)cn1 |r| Show InChI InChI=1S/C19H19ClF3N7O2/c1-3-14(31)30-6-10(12(8-30)19(21,22)23)9-32-17-15-13(20)5-24-16(15)27-18(28-17)26-11-4-25-29(2)7-11/h3-5,7,10,12H,1,6,8-9H2,2H3,(H2,24,26,27,28)/t10-,12+/m1/s1 | PDB
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UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Reversible binding affinity to human EGFR L858R/ T790M double mutant expressed in baculovirus by fluorometric analysis |
J Med Chem 59: 2005-24 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01633 BindingDB Entry DOI: 10.7270/Q2KS6TDD |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50159349
(CHEMBL3786962)Show SMILES Cn1cc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cc[nH]c3n2)cn1 Show InChI InChI=1S/C19H17N7O2/c1-3-16(27)22-12-5-4-6-14(9-12)28-18-15-7-8-20-17(15)24-19(25-18)23-13-10-21-26(2)11-13/h3-11H,1H2,2H3,(H,22,27)(H2,20,23,24,25) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Reversible binding affinity to human EGFR L858R/ T790M double mutant expressed in baculovirus by fluorometric analysis |
J Med Chem 59: 2005-24 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01633 BindingDB Entry DOI: 10.7270/Q2KS6TDD |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50159353
(CHEMBL3787220)Show SMILES Cn1cc(Nc2nc(OC[C@H]3CN(C[C@@H]3F)C(=O)C=C)c3c(Cl)c[nH]c3n2)cn1 |r| Show InChI InChI=1S/C18H19ClFN7O2/c1-3-14(28)27-6-10(13(20)8-27)9-29-17-15-12(19)5-21-16(15)24-18(25-17)23-11-4-22-26(2)7-11/h3-5,7,10,13H,1,6,8-9H2,2H3,(H2,21,23,24,25)/t10-,13+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Reversible binding affinity to human EGFR L858R/ T790M double mutant expressed in baculovirus by fluorometric analysis |
J Med Chem 59: 2005-24 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01633 BindingDB Entry DOI: 10.7270/Q2KS6TDD |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50450886
(CHEMBL4206481)Show SMILES Cn1cc(Nc2nc(N[C@@H]3CCN(C3)C(=O)C=C)c3c(Cl)c[nH]c3n2)cn1 |r| Show InChI InChI=1S/C17H19ClN8O/c1-3-13(27)26-5-4-10(9-26)21-16-14-12(18)7-19-15(14)23-17(24-16)22-11-6-20-25(2)8-11/h3,6-8,10H,1,4-5,9H2,2H3,(H3,19,21,22,23,24)/t10-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wuxi AppTec
Curated by ChEMBL
| Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) |
J Med Chem 60: 3002-3019 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01894 BindingDB Entry DOI: 10.7270/Q25X2CJZ |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50130068
((S)-2-(6-Fluoro-indol-1-yl)-1-methyl-ethylamine | ...)Show InChI InChI=1S/C11H13FN2/c1-8(13)7-14-5-4-9-2-3-10(12)6-11(9)14/h2-6,8H,7,13H2,1H3/t8-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description Binding affinity of compound towards 5-hydroxytryptamine 2C receptor |
Bioorg Med Chem Lett 13: 2369-72 (2003)
BindingDB Entry DOI: 10.7270/Q2B857GJ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50159360
(CHEMBL3786098)Show SMILES CO[C@H]1CN(C[C@@H]1COc1nc(Nc2cnn(C)c2)nc2[nH]cc(Cl)c12)C(=O)C=C |r| Show InChI InChI=1S/C19H22ClN7O3/c1-4-15(28)27-7-11(14(9-27)29-3)10-30-18-16-13(20)6-21-17(16)24-19(25-18)23-12-5-22-26(2)8-12/h4-6,8,11,14H,1,7,9-10H2,2-3H3,(H2,21,23,24,25)/t11-,14+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Reversible binding affinity to human EGFR L858R/ T790M double mutant expressed in baculovirus by fluorometric analysis |
J Med Chem 59: 2005-24 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01633 BindingDB Entry DOI: 10.7270/Q2KS6TDD |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50159356
(CHEMBL3786523)Show SMILES COC[C@H]1CN(C[C@@H]1COc1nc(Nc2cnn(C)c2)nc2[nH]cc(Cl)c12)C(=O)C=C |r| Show InChI InChI=1S/C20H24ClN7O3/c1-4-16(29)28-7-12(10-30-3)13(8-28)11-31-19-17-15(21)6-22-18(17)25-20(26-19)24-14-5-23-27(2)9-14/h4-6,9,12-13H,1,7-8,10-11H2,2-3H3,(H2,22,24,25,26)/t12-,13-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Reversible binding affinity to human EGFR L858R/ T790M double mutant expressed in baculovirus by fluorometric analysis |
J Med Chem 59: 2005-24 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01633 BindingDB Entry DOI: 10.7270/Q2KS6TDD |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50130081
(1,2,8,9,10,11-Hexahydro-7H-3-oxa-9,11b-diaza-cyclo...)Show InChI InChI=1S/C14H16N2O/c1-2-11-10-4-6-15-7-5-12(10)16-8-9-17-13(3-1)14(11)16/h1-3,15H,4-9H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| PubMed
| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description Binding affinity against 5-hydroxytryptamine 2A receptor using [125I]-DOI radioligand. |
Bioorg Med Chem Lett 13: 2369-72 (2003)
BindingDB Entry DOI: 10.7270/Q2B857GJ |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50107877
((4-Methoxy-indan-2-yl)-dipropyl-amine | CHEMBL4219...)Show InChI InChI=1S/C16H25NO/c1-4-9-17(10-5-2)14-11-13-7-6-8-16(18-3)15(13)12-14/h6-8,14H,4-5,9-12H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia
Curated by ChEMBL
| Assay Description Affinity at D2 dopamine receptor on CHO cell membranes by [3H]-PNU-86170 displacement. |
J Med Chem 44: 4716-32 (2001)
BindingDB Entry DOI: 10.7270/Q2ZP45D5 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50130081
(1,2,8,9,10,11-Hexahydro-7H-3-oxa-9,11b-diaza-cyclo...)Show InChI InChI=1S/C14H16N2O/c1-2-11-10-4-6-15-7-5-12(10)16-8-9-17-13(3-1)14(11)16/h1-3,15H,4-9H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description Binding affinity against 5-hydroxytryptamine 2C receptor using [125I]-DOI radioligand. |
Bioorg Med Chem Lett 13: 2369-72 (2003)
BindingDB Entry DOI: 10.7270/Q2B857GJ |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50130084
(11-Chloro-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7...)Show InChI InChI=1S/C12H13ClN2/c13-12-9-3-1-2-4-10(9)15-8-7-14-6-5-11(12)15/h1-4,14H,5-8H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description Binding affinity against 5-hydroxytryptamine 2C receptor using [125I]-DOI radioligand. |
Bioorg Med Chem Lett 13: 2369-72 (2003)
BindingDB Entry DOI: 10.7270/Q2B857GJ |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50130087
(2,3,4,5-Tetrahydro-1H-[1,4]diazepino[1,7-a]indole ...)Show InChI InChI=1S/C12H14N2/c1-2-4-12-10(3-1)9-11-5-6-13-7-8-14(11)12/h1-4,9,13H,5-8H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description Binding affinity against 5-hydroxytryptamine 2C receptor using [125I]-DOI radioligand. |
Bioorg Med Chem Lett 13: 2369-72 (2003)
BindingDB Entry DOI: 10.7270/Q2B857GJ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50389285
(CHEMBL2063759)Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2CCS(=O)(=O)Cc2c(n1)N1C[C@@H]2CC[C@H](C1)O2 |r| Show InChI InChI=1S/C22H27N5O4S/c1-2-23-22(28)24-15-5-3-14(4-6-15)20-25-19-9-10-32(29,30)13-18(19)21(26-20)27-11-16-7-8-17(12-27)31-16/h3-6,16-17H,2,7-13H2,1H3,(H2,23,24,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of mTOR |
Bioorg Med Chem Lett 22: 5114-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.104 BindingDB Entry DOI: 10.7270/Q29024WG |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50107877
((4-Methoxy-indan-2-yl)-dipropyl-amine | CHEMBL4219...)Show InChI InChI=1S/C16H25NO/c1-4-9-17(10-5-2)14-11-13-7-6-8-16(18-3)15(13)12-14/h6-8,14H,4-5,9-12H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia
Curated by ChEMBL
| Assay Description Binding affinity of the compound towards 5-hydroxytryptamine 1A receptor |
J Med Chem 44: 4716-32 (2001)
BindingDB Entry DOI: 10.7270/Q2ZP45D5 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50107867
((R)-2-Dipropylamino-indan-4-ol | (S)-2-Dipropylami...)Show InChI InChI=1S/C15H23NO/c1-3-8-16(9-4-2)13-10-12-6-5-7-15(17)14(12)11-13/h5-7,13,17H,3-4,8-11H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia
Curated by ChEMBL
| Assay Description Affinity at D2 dopamine receptor on CHO cell membranes by [3H]-PNU-86170 displacement. |
J Med Chem 44: 4716-32 (2001)
BindingDB Entry DOI: 10.7270/Q2ZP45D5 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50450871
(CHEMBL4205392)Show SMILES CCn1cnc2c(Nc3cn(C)nc3OC)nc(nc12)N1C[C@@H](F)[C@@H](C1)NC(=O)C=C |r| Show InChI InChI=1S/C19H24FN9O2/c1-5-14(30)22-12-9-29(7-11(12)20)19-24-16(15-17(25-19)28(6-2)10-21-15)23-13-8-27(3)26-18(13)31-4/h5,8,10-12H,1,6-7,9H2,2-4H3,(H,22,30)(H,23,24,25)/t11-,12-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wuxi AppTec
Curated by ChEMBL
| Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) |
J Med Chem 60: 3002-3019 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01894 BindingDB Entry DOI: 10.7270/Q25X2CJZ |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50130072
(1,2,3,4,5,6-Hexahydro-azepino[4,5-b]indole | CHEMB...)Show InChI InChI=1S/C12H14N2/c1-2-4-11-9(3-1)10-5-7-13-8-6-12(10)14-11/h1-4,13-14H,5-8H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 6.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description Binding affinity against 5-hydroxytryptamine 2C receptor using [125I]-DOI radioligand. |
Bioorg Med Chem Lett 13: 2369-72 (2003)
BindingDB Entry DOI: 10.7270/Q2B857GJ |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50130084
(11-Chloro-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7...)Show InChI InChI=1S/C12H13ClN2/c13-12-9-3-1-2-4-10(9)15-8-7-14-6-5-11(12)15/h1-4,14H,5-8H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| PubMed
| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description Binding affinity against 5-hydroxytryptamine 2A receptor using [125I]-DOI radioligand. |
Bioorg Med Chem Lett 13: 2369-72 (2003)
BindingDB Entry DOI: 10.7270/Q2B857GJ |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50130070
(11-Methyl-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7...)Show InChI InChI=1S/C13H16N2/c1-10-11-4-2-3-5-13(11)15-9-8-14-7-6-12(10)15/h2-5,14H,6-9H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description Binding affinity against 5-hydroxytryptamine 2C receptor using [125I]-DOI radioligand. |
Bioorg Med Chem Lett 13: 2369-72 (2003)
BindingDB Entry DOI: 10.7270/Q2B857GJ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50389280
(CHEMBL2063760)Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2CS(=O)(=O)Cc2c(n1)N1C[C@@H]2CC[C@H](C1)O2 |r| Show InChI InChI=1S/C21H25N5O4S/c1-2-22-21(27)23-14-5-3-13(4-6-14)19-24-18-12-31(28,29)11-17(18)20(25-19)26-9-15-7-8-16(10-26)30-15/h3-6,15-16H,2,7-12H2,1H3,(H2,22,23,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of mTOR |
Bioorg Med Chem Lett 22: 5114-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.104 BindingDB Entry DOI: 10.7270/Q29024WG |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50389290
(CHEMBL2063756)Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2CCS(=O)(=O)Cc2c(n1)N1CCOC[C@@H]1C |r| Show InChI InChI=1S/C21H27N5O4S/c1-3-22-21(27)23-16-6-4-15(5-7-16)19-24-18-8-11-31(28,29)13-17(18)20(25-19)26-9-10-30-12-14(26)2/h4-7,14H,3,8-13H2,1-2H3,(H2,22,23,27)/t14-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of mTOR |
Bioorg Med Chem Lett 22: 5114-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.104 BindingDB Entry DOI: 10.7270/Q29024WG |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50159354
(CHEMBL3786220)Show SMILES Cn1cc(Nc2nc(OC[C@H]3CN(C[C@@H]3O)C(=O)C=C)c3c(Cl)c[nH]c3n2)cn1 |r| Show InChI InChI=1S/C18H20ClN7O3/c1-3-14(28)26-6-10(13(27)8-26)9-29-17-15-12(19)5-20-16(15)23-18(24-17)22-11-4-21-25(2)7-11/h3-5,7,10,13,27H,1,6,8-9H2,2H3,(H2,20,22,23,24)/t10-,13+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Reversible binding affinity to human EGFR L858R/ T790M double mutant expressed in baculovirus by fluorometric analysis |
J Med Chem 59: 2005-24 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01633 BindingDB Entry DOI: 10.7270/Q2KS6TDD |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50159351
(CHEMBL3786858)Show SMILES Cn1cc(Nc2nc(OC[C@@H]3CCN(C3)C(=O)C=C)c3c(Cl)c[nH]c3n2)cn1 |r| Show InChI InChI=1S/C18H20ClN7O2/c1-3-14(27)26-5-4-11(8-26)10-28-17-15-13(19)7-20-16(15)23-18(24-17)22-12-6-21-25(2)9-12/h3,6-7,9,11H,1,4-5,8,10H2,2H3,(H2,20,22,23,24)/t11-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Reversible binding affinity to human EGFR L858R/ T790M double mutant expressed in baculovirus by fluorometric analysis |
J Med Chem 59: 2005-24 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01633 BindingDB Entry DOI: 10.7270/Q2KS6TDD |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50450868
(CHEMBL4216679)Show SMILES COc1nn(C)cc1Nc1nc(nc2n(cnc12)C(C)C)N1C[C@@H](F)[C@@H](C1)NC(=O)C=C |r| Show InChI InChI=1S/C20H26FN9O2/c1-6-15(31)23-13-9-29(7-12(13)21)20-25-17(24-14-8-28(4)27-19(14)32-5)16-18(26-20)30(10-22-16)11(2)3/h6,8,10-13H,1,7,9H2,2-5H3,(H,23,31)(H,24,25,26)/t12-,13-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wuxi AppTec
Curated by ChEMBL
| Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) |
J Med Chem 60: 3002-3019 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01894 BindingDB Entry DOI: 10.7270/Q25X2CJZ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50450875
(CHEMBL4208811)Show SMILES CC(C)n1cnc2c(Nc3ccc(cc3)N3CCN(C)CC3)nc(nc12)N1CC[C@@H](C1)NC(=O)C=C |r| Show InChI InChI=1S/C26H35N9O/c1-5-22(36)28-20-10-11-34(16-20)26-30-24(23-25(31-26)35(17-27-23)18(2)3)29-19-6-8-21(9-7-19)33-14-12-32(4)13-15-33/h5-9,17-18,20H,1,10-16H2,2-4H3,(H,28,36)(H,29,30,31)/t20-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wuxi AppTec
Curated by ChEMBL
| Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) |
J Med Chem 60: 3002-3019 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01894 BindingDB Entry DOI: 10.7270/Q25X2CJZ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50159359
(CHEMBL3786812)Show SMILES CO[C@H]1CN(C[C@@H]1COc1nc(Nc2cnn(CCC#C)c2)nc2[nH]cc(Cl)c12)C(=O)C=C |r| Show InChI InChI=1S/C22H24ClN7O3/c1-4-6-7-30-11-15(8-25-30)26-22-27-20-19(16(23)9-24-20)21(28-22)33-13-14-10-29(18(31)5-2)12-17(14)32-3/h1,5,8-9,11,14,17H,2,6-7,10,12-13H2,3H3,(H2,24,26,27,28)/t14-,17+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Reversible binding affinity to human EGFR L858R/ T790M double mutant expressed in baculovirus by fluorometric analysis |
J Med Chem 59: 2005-24 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01633 BindingDB Entry DOI: 10.7270/Q2KS6TDD |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50130072
(1,2,3,4,5,6-Hexahydro-azepino[4,5-b]indole | CHEMB...)Show InChI InChI=1S/C12H14N2/c1-2-4-11-9(3-1)10-5-7-13-8-6-12(10)14-11/h1-4,13-14H,5-8H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description Binding affinity against 5-hydroxytryptamine 2A receptor using [125I]-DOI radioligand. |
Bioorg Med Chem Lett 13: 2369-72 (2003)
BindingDB Entry DOI: 10.7270/Q2B857GJ |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50130070
(11-Methyl-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7...)Show InChI InChI=1S/C13H16N2/c1-10-11-4-2-3-5-13(11)15-9-8-14-7-6-12(10)15/h2-5,14H,6-9H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description Binding affinity against 5-hydroxytryptamine 2A receptor using [125I]-DOI radioligand. |
Bioorg Med Chem Lett 13: 2369-72 (2003)
BindingDB Entry DOI: 10.7270/Q2B857GJ |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50130083
(2,3,4,5-Tetrahydro-1H-[1,4]diazepino[1,7-a]indole-...)Show InChI InChI=1S/C13H14N2O/c16-9-11-10-3-1-2-4-12(10)15-8-7-14-6-5-13(11)15/h1-4,9,14H,5-8H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description Binding affinity against 5-hydroxytryptamine 2C receptor using [125I]-DOI radioligand. |
Bioorg Med Chem Lett 13: 2369-72 (2003)
BindingDB Entry DOI: 10.7270/Q2B857GJ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50389287
(CHEMBL2063752)Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2CS(=O)(=O)Cc2c(n1)N1CCOC[C@H]1C |r| Show InChI InChI=1S/C20H25N5O4S/c1-3-21-20(26)22-15-6-4-14(5-7-15)18-23-17-12-30(27,28)11-16(17)19(24-18)25-8-9-29-10-13(25)2/h4-7,13H,3,8-12H2,1-2H3,(H2,21,22,26)/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of mTOR |
Bioorg Med Chem Lett 22: 5114-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.104 BindingDB Entry DOI: 10.7270/Q29024WG |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50130082
(3-Methyl-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-...)Show InChI InChI=1S/C13H16N2/c1-14-7-6-12-10-11-4-2-3-5-13(11)15(12)9-8-14/h2-5,10H,6-9H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description Binding affinity against 5-hydroxytryptamine 2C receptor using [125I]-DOI radioligand. |
Bioorg Med Chem Lett 13: 2369-72 (2003)
BindingDB Entry DOI: 10.7270/Q2B857GJ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50450870
(Mavelertinib | PF-06747775)Show SMILES COc1nn(C)cc1Nc1nc(nc2n(C)cnc12)N1C[C@@H](F)[C@@H](C1)NC(=O)C=C |r| Show InChI InChI=1S/C18H22FN9O2/c1-5-13(29)21-11-8-28(6-10(11)19)18-23-15(14-16(24-18)26(2)9-20-14)22-12-7-27(3)25-17(12)30-4/h5,7,9-11H,1,6,8H2,2-4H3,(H,21,29)(H,22,23,24)/t10-,11-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wuxi AppTec
Curated by ChEMBL
| Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) |
J Med Chem 60: 3002-3019 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01894 BindingDB Entry DOI: 10.7270/Q25X2CJZ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50159348
(CHEMBL3786453)Show SMILES Cn1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cc[nH]c3n2)n1 Show InChI InChI=1S/C19H17N7O2/c1-3-16(27)21-12-5-4-6-13(11-12)28-18-14-7-9-20-17(14)23-19(24-18)22-15-8-10-26(2)25-15/h3-11H,1H2,2H3,(H,21,27)(H2,20,22,23,24,25) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Reversible binding affinity to human EGFR L858R/ T790M double mutant expressed in baculovirus by fluorometric analysis |
J Med Chem 59: 2005-24 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01633 BindingDB Entry DOI: 10.7270/Q2KS6TDD |
More data for this Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50107874
((5,6-Dimethoxy-indan-2-yl)-propyl-(2-thiophen-3-yl...)Show InChI InChI=1S/C20H27NO2S/c1-4-7-21(8-5-15-6-9-24-14-15)18-10-16-12-19(22-2)20(23-3)13-17(16)11-18/h6,9,12-14,18H,4-5,7-8,10-11H2,1-3H3 | KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia
Curated by ChEMBL
| Assay Description Affinity at rat D3 dopamine receptor on CHO cell membranes by [3H]-spiperone displacement. |
J Med Chem 44: 4716-32 (2001)
BindingDB Entry DOI: 10.7270/Q2ZP45D5 |
More data for this Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50107870
(2-Dipropylamino-indan-5-ol | CHEMBL16409)Show InChI InChI=1S/C15H23NO/c1-3-7-16(8-4-2)14-9-12-5-6-15(17)11-13(12)10-14/h5-6,11,14,17H,3-4,7-10H2,1-2H3 | KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia
Curated by ChEMBL
| Assay Description Affinity at rat D3 dopamine receptor on CHO cell membranes by [3H]-spiperone displacement. |
J Med Chem 44: 4716-32 (2001)
BindingDB Entry DOI: 10.7270/Q2ZP45D5 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50159355
(CHEMBL3786647)Show SMILES Cn1cc(Nc2nc(OC[C@H]3CN(C[C@@H]3CO)C(=O)C=C)c3c(Cl)c[nH]c3n2)cn1 |r| Show InChI InChI=1S/C19H22ClN7O3/c1-3-15(29)27-6-11(9-28)12(7-27)10-30-18-16-14(20)5-21-17(16)24-19(25-18)23-13-4-22-26(2)8-13/h3-5,8,11-12,28H,1,6-7,9-10H2,2H3,(H2,21,23,24,25)/t11-,12-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Reversible binding affinity to human EGFR L858R/ T790M double mutant expressed in baculovirus by fluorometric analysis |
J Med Chem 59: 2005-24 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01633 BindingDB Entry DOI: 10.7270/Q2KS6TDD |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50389288
(CHEMBL2063753)Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2CS(=O)(=O)Cc2c(n1)N1CCOC[C@@H]1C |r| Show InChI InChI=1S/C20H25N5O4S/c1-3-21-20(26)22-15-6-4-14(5-7-15)18-23-17-12-30(27,28)11-16(17)19(24-18)25-8-9-29-10-13(25)2/h4-7,13H,3,8-12H2,1-2H3,(H2,21,22,26)/t13-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of mTOR |
Bioorg Med Chem Lett 22: 5114-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.104 BindingDB Entry DOI: 10.7270/Q29024WG |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50112176
(CHEMBL3608432)Show SMILES CC(C)n1cnc2c(Nc3cn(C)nc3C)nc(nc12)N1C[C@@H](F)[C@@H](C1)NC(=O)C=C |r| Show InChI InChI=1S/C20H26FN9O/c1-6-16(31)23-15-9-29(7-13(15)21)20-25-18(24-14-8-28(5)27-12(14)4)17-19(26-20)30(10-22-17)11(2)3/h6,8,10-11,13,15H,1,7,9H2,2-5H3,(H,23,31)(H,24,25,26)/t13-,15-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wuxi AppTec
Curated by ChEMBL
| Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) |
J Med Chem 60: 3002-3019 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01894 BindingDB Entry DOI: 10.7270/Q25X2CJZ |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50130087
(2,3,4,5-Tetrahydro-1H-[1,4]diazepino[1,7-a]indole ...)Show InChI InChI=1S/C12H14N2/c1-2-4-12-10(3-1)9-11-5-6-13-7-8-14(11)12/h1-4,9,13H,5-8H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description Binding affinity against 5-hydroxytryptamine 2A receptor using [125I]-DOI radioligand. |
Bioorg Med Chem Lett 13: 2369-72 (2003)
BindingDB Entry DOI: 10.7270/Q2B857GJ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50450866
(CHEMBL4208829)Show SMILES COc1nn(C)cc1Nc1nc(nc2n(cnc12)C(C)(C)C)N1C[C@@H](F)[C@@H](C1)NC(=O)C=C |r| Show InChI InChI=1S/C21H28FN9O2/c1-7-15(32)24-13-10-30(8-12(13)22)20-26-17(25-14-9-29(5)28-19(14)33-6)16-18(27-20)31(11-23-16)21(2,3)4/h7,9,11-13H,1,8,10H2,2-6H3,(H,24,32)(H,25,26,27)/t12-,13-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wuxi AppTec
Curated by ChEMBL
| Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) |
J Med Chem 60: 3002-3019 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01894 BindingDB Entry DOI: 10.7270/Q25X2CJZ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50450869
(CHEMBL4218154)Show SMILES CCc1nn(C)cc1Nc1nc(nc2n(cnc12)C(C)C)N1C[C@@H](F)[C@@H](C1)NC(=O)C=C |r| Show InChI InChI=1S/C21H28FN9O/c1-6-14-16(9-29(5)28-14)25-19-18-20(31(11-23-18)12(3)4)27-21(26-19)30-8-13(22)15(10-30)24-17(32)7-2/h7,9,11-13,15H,2,6,8,10H2,1,3-5H3,(H,24,32)(H,25,26,27)/t13-,15-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wuxi AppTec
Curated by ChEMBL
| Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) |
J Med Chem 60: 3002-3019 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01894 BindingDB Entry DOI: 10.7270/Q25X2CJZ |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50130095
(6-Methyl-1,2,3,4,5,6-hexahydro-azepino[4,5-b]indol...)Show InChI InChI=1S/C13H16N2/c1-15-12-5-3-2-4-10(12)11-6-8-14-9-7-13(11)15/h2-5,14H,6-9H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description Binding affinity against 5-hydroxytryptamine 2A receptor using [125I]-DOI radioligand. |
Bioorg Med Chem Lett 13: 2369-72 (2003)
BindingDB Entry DOI: 10.7270/Q2B857GJ |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50130095
(6-Methyl-1,2,3,4,5,6-hexahydro-azepino[4,5-b]indol...)Show InChI InChI=1S/C13H16N2/c1-15-12-5-3-2-4-10(12)11-6-8-14-9-7-13(11)15/h2-5,14H,6-9H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description Binding affinity against 5-hydroxytryptamine 2C receptor using [125I]-DOI radioligand. |
Bioorg Med Chem Lett 13: 2369-72 (2003)
BindingDB Entry DOI: 10.7270/Q2B857GJ |
More data for this Ligand-Target Pair | |