Found 66 hits with Last Name = 'nosjean' and Initial = 'o' 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 |
Melatonin receptor type 1A
(Homo sapiens (Human)) | BDBM50340329
(4-azamelatonin | CHEMBL1760944)Show InChI InChI=1S/C12H15N3O2/c1-8(16)13-6-5-9-7-14-10-3-4-11(17-2)15-12(9)10/h3-4,7,14H,5-6H2,1-2H3,(H,13,16) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description Displacement of 2-[125I]-iodomelatonin from human MT1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 2316-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.097 BindingDB Entry DOI: 10.7270/Q27H1JWM |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1A
(Homo sapiens (Human)) | BDBM9019
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description Displacement of 2-[125I]-iodomelatonin from human MT1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 2316-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.097 BindingDB Entry DOI: 10.7270/Q27H1JWM |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM50340324
(CHEMBL1760946 | N-(2-(6-Methoxy-1H-pyrrolo[2,3-b]p...)Show InChI InChI=1S/C13H17N3O2/c1-3-11(17)14-7-9-16-8-6-10-4-5-12(18-2)15-13(10)16/h4-6,8H,3,7,9H2,1-2H3,(H,14,17) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description Displacement of 2-[125I]-iodomelatonin from human MT2 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 2316-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.097 BindingDB Entry DOI: 10.7270/Q27H1JWM |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM50340329
(4-azamelatonin | CHEMBL1760944)Show InChI InChI=1S/C12H15N3O2/c1-8(16)13-6-5-9-7-14-10-3-4-11(17-2)15-12(9)10/h3-4,7,14H,5-6H2,1-2H3,(H,13,16) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description Displacement of 2-[125I]-iodomelatonin from human MT2 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 2316-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.097 BindingDB Entry DOI: 10.7270/Q27H1JWM |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM50340338
(CHEMBL1760947 | N-(2-(6-Methoxy-1H-pyrrolo[2,3-b]p...)Show InChI InChI=1S/C14H19N3O2/c1-3-4-12(18)15-8-10-17-9-7-11-5-6-13(19-2)16-14(11)17/h5-7,9H,3-4,8,10H2,1-2H3,(H,15,18) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description Displacement of 2-[125I]-iodomelatonin from human MT2 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 2316-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.097 BindingDB Entry DOI: 10.7270/Q27H1JWM |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM9019
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| 0.340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description Displacement of 2-[125I]-iodomelatonin from human MT2 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 2316-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.097 BindingDB Entry DOI: 10.7270/Q27H1JWM |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM50340325
(CHEMBL1760945 | N-(2-(6-Methoxy-1H-pyrrolo[2,3-b]p...)Show InChI InChI=1S/C12H15N3O2/c1-9(16)13-6-8-15-7-5-10-3-4-11(17-2)14-12(10)15/h3-5,7H,6,8H2,1-2H3,(H,13,16) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description Displacement of 2-[125I]-iodomelatonin from human MT2 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 2316-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.097 BindingDB Entry DOI: 10.7270/Q27H1JWM |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM50340327
(CHEMBL1760957 | N-(2-(5,6,7,8-Tetrahydro-2-methoxy...)Show InChI InChI=1S/C16H21N3O2/c1-11(20)17-9-10-19-14-6-4-3-5-12(14)13-7-8-15(21-2)18-16(13)19/h7-8H,3-6,9-10H2,1-2H3,(H,17,20) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 0.680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description Displacement of 2-[125I]-iodomelatonin from human MT2 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 2316-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.097 BindingDB Entry DOI: 10.7270/Q27H1JWM |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1A
(Homo sapiens (Human)) | BDBM50340338
(CHEMBL1760947 | N-(2-(6-Methoxy-1H-pyrrolo[2,3-b]p...)Show InChI InChI=1S/C14H19N3O2/c1-3-4-12(18)15-8-10-17-9-7-11-5-6-13(19-2)16-14(11)17/h5-7,9H,3-4,8,10H2,1-2H3,(H,15,18) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description Displacement of 2-[125I]-iodomelatonin from human MT1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 2316-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.097 BindingDB Entry DOI: 10.7270/Q27H1JWM |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1A
(Homo sapiens (Human)) | BDBM50340325
(CHEMBL1760945 | N-(2-(6-Methoxy-1H-pyrrolo[2,3-b]p...)Show InChI InChI=1S/C12H15N3O2/c1-9(16)13-6-8-15-7-5-10-3-4-11(17-2)14-12(10)15/h3-5,7H,6,8H2,1-2H3,(H,13,16) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description Displacement of 2-[125I]-iodomelatonin from human MT1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 2316-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.097 BindingDB Entry DOI: 10.7270/Q27H1JWM |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1A
(Homo sapiens (Human)) | BDBM50340324
(CHEMBL1760946 | N-(2-(6-Methoxy-1H-pyrrolo[2,3-b]p...)Show InChI InChI=1S/C13H17N3O2/c1-3-11(17)14-7-9-16-8-6-10-4-5-12(18-2)15-13(10)16/h4-6,8H,3,7,9H2,1-2H3,(H,14,17) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description Displacement of 2-[125I]-iodomelatonin from human MT1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 2316-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.097 BindingDB Entry DOI: 10.7270/Q27H1JWM |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM50340326
(CHEMBL1760956 | N-(2-(3-iodo-6-methoxy-1H-pyrrolo[...)Show InChI InChI=1S/C12H14IN3O2/c1-8(17)14-5-6-16-7-10(13)9-3-4-11(18-2)15-12(9)16/h3-4,7H,5-6H2,1-2H3,(H,14,17) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description Displacement of 2-[125I]-iodomelatonin from human MT2 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 2316-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.097 BindingDB Entry DOI: 10.7270/Q27H1JWM |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1A
(Homo sapiens (Human)) | BDBM50340327
(CHEMBL1760957 | N-(2-(5,6,7,8-Tetrahydro-2-methoxy...)Show InChI InChI=1S/C16H21N3O2/c1-11(20)17-9-10-19-14-6-4-3-5-12(14)13-7-8-15(21-2)18-16(13)19/h7-8H,3-6,9-10H2,1-2H3,(H,17,20) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description Displacement of 2-[125I]-iodomelatonin from human MT1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 2316-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.097 BindingDB Entry DOI: 10.7270/Q27H1JWM |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1A
(Homo sapiens (Human)) | BDBM50340326
(CHEMBL1760956 | N-(2-(3-iodo-6-methoxy-1H-pyrrolo[...)Show InChI InChI=1S/C12H14IN3O2/c1-8(17)14-5-6-16-7-10(13)9-3-4-11(18-2)15-12(9)16/h3-4,7H,5-6H2,1-2H3,(H,14,17) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description Displacement of 2-[125I]-iodomelatonin from human MT1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 2316-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.097 BindingDB Entry DOI: 10.7270/Q27H1JWM |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM50340328
(CHEMBL1760955 | N-(2-(6-methoxy-3-(2,2,2-trifluoro...)Show InChI InChI=1S/C14H14F3N3O3/c1-8(21)18-5-6-20-7-10(12(22)14(15,16)17)9-3-4-11(23-2)19-13(9)20/h3-4,7H,5-6H2,1-2H3,(H,18,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description Displacement of 2-[125I]-iodomelatonin from human MT2 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 2316-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.097 BindingDB Entry DOI: 10.7270/Q27H1JWM |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1A
(Homo sapiens (Human)) | BDBM50340330
(7-azamelatonin | CHEMBL137969 | N-[2-(5-Methoxy-1H...)Show InChI InChI=1S/C12H15N3O2/c1-8(16)13-4-3-9-6-14-12-11(9)5-10(17-2)7-15-12/h5-7H,3-4H2,1-2H3,(H,13,16)(H,14,15) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description Displacement of 2-[125I]-iodomelatonin from human MT1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 2316-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.097 BindingDB Entry DOI: 10.7270/Q27H1JWM |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1A
(Homo sapiens (Human)) | BDBM50340328
(CHEMBL1760955 | N-(2-(6-methoxy-3-(2,2,2-trifluoro...)Show InChI InChI=1S/C14H14F3N3O3/c1-8(21)18-5-6-20-7-10(12(22)14(15,16)17)9-3-4-11(23-2)19-13(9)20/h3-4,7H,5-6H2,1-2H3,(H,18,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 91 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description Displacement of 2-[125I]-iodomelatonin from human MT1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 2316-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.097 BindingDB Entry DOI: 10.7270/Q27H1JWM |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM50340330
(7-azamelatonin | CHEMBL137969 | N-[2-(5-Methoxy-1H...)Show InChI InChI=1S/C12H15N3O2/c1-8(16)13-4-3-9-6-14-12-11(9)5-10(17-2)7-15-12/h5-7H,3-4H2,1-2H3,(H,13,16)(H,14,15) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 117 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description Displacement of 2-[125I]-iodomelatonin from human MT2 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 2316-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.097 BindingDB Entry DOI: 10.7270/Q27H1JWM |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1A
(Homo sapiens (Human)) | BDBM50340331
(CHEMBL1760950 | N-(2-(6-methoxy-3-(piperidin-1-ylm...)Show InChI InChI=1S/C18H26N4O2/c1-14(23)19-8-11-22-13-15(12-21-9-4-3-5-10-21)16-6-7-17(24-2)20-18(16)22/h6-7,13H,3-5,8-12H2,1-2H3,(H,19,23) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description Displacement of 2-[125I]-iodomelatonin from human MT1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 2316-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.097 BindingDB Entry DOI: 10.7270/Q27H1JWM |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM50340332
(CHEMBL1760951 | N-(2-(6-methoxy-3-(morpholinomethy...)Show InChI InChI=1S/C17H24N4O3/c1-13(22)18-5-6-21-12-14(11-20-7-9-24-10-8-20)15-3-4-16(23-2)19-17(15)21/h3-4,12H,5-11H2,1-2H3,(H,18,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description Displacement of 2-[125I]-iodomelatonin from human MT2 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 2316-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.097 BindingDB Entry DOI: 10.7270/Q27H1JWM |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM50340331
(CHEMBL1760950 | N-(2-(6-methoxy-3-(piperidin-1-ylm...)Show InChI InChI=1S/C18H26N4O2/c1-14(23)19-8-11-22-13-15(12-21-9-4-3-5-10-21)16-6-7-17(24-2)20-18(16)22/h6-7,13H,3-5,8-12H2,1-2H3,(H,19,23) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 742 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description Displacement of 2-[125I]-iodomelatonin from human MT2 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 2316-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.097 BindingDB Entry DOI: 10.7270/Q27H1JWM |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM50340333
(CHEMBL1760952 | N-(2-(3-((4-(3-chlorophenyl)pipera...)Show SMILES COc1ccc2c(CN3CCN(CC3)c3cccc(Cl)c3)cn(CCNC(C)=O)c2n1 Show InChI InChI=1S/C23H28ClN5O2/c1-17(30)25-8-9-29-16-18(21-6-7-22(31-2)26-23(21)29)15-27-10-12-28(13-11-27)20-5-3-4-19(24)14-20/h3-7,14,16H,8-13,15H2,1-2H3,(H,25,30) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 929 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description Displacement of 2-[125I]-iodomelatonin from human MT2 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 2316-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.097 BindingDB Entry DOI: 10.7270/Q27H1JWM |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM50340334
(CHEMBL1760954 | N-(2-(6-methoxy-3-((methylamino)me...)Show InChI InChI=1S/C14H20N4O2/c1-10(19)16-6-7-18-9-11(8-15-2)12-4-5-13(20-3)17-14(12)18/h4-5,9,15H,6-8H2,1-3H3,(H,16,19) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description Displacement of 2-[125I]-iodomelatonin from human MT2 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 2316-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.097 BindingDB Entry DOI: 10.7270/Q27H1JWM |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1A
(Homo sapiens (Human)) | BDBM50340333
(CHEMBL1760952 | N-(2-(3-((4-(3-chlorophenyl)pipera...)Show SMILES COc1ccc2c(CN3CCN(CC3)c3cccc(Cl)c3)cn(CCNC(C)=O)c2n1 Show InChI InChI=1S/C23H28ClN5O2/c1-17(30)25-8-9-29-16-18(21-6-7-22(31-2)26-23(21)29)15-27-10-12-28(13-11-27)20-5-3-4-19(24)14-20/h3-7,14,16H,8-13,15H2,1-2H3,(H,25,30) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description Displacement of 2-[125I]-iodomelatonin from human MT1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 2316-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.097 BindingDB Entry DOI: 10.7270/Q27H1JWM |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM50340335
(CHEMBL1760949 | N-(2-(3-((benzyl(methyl)amino)meth...)Show InChI InChI=1S/C21H26N4O2/c1-16(26)22-11-12-25-15-18(19-9-10-20(27-3)23-21(19)25)14-24(2)13-17-7-5-4-6-8-17/h4-10,15H,11-14H2,1-3H3,(H,22,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description Displacement of 2-[125I]-iodomelatonin from human MT2 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 2316-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.097 BindingDB Entry DOI: 10.7270/Q27H1JWM |
More data for this Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50295298
(CHEMBL552717 | icterogenin regioisomer)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#8]-[#6@@H]1-[#6]C([#6])([#6])[#6]-[#6@@H]2-[#6]3=[#6]-[#6]-[#6@@H]4[C@@]5([#6])[#6]-[#6]-[#6](=O)[C@]([#6])([#6]-[#8])[#6@@H]5-[#6]-[#6][C@@]4([#6])[C@]3([#6])[#6]-[#6][C@@]12[#6](-[#8])=O |r,t:14| Show InChI InChI=1S/C35H52O6/c1-21(2)17-28(38)41-27-19-30(3,4)18-23-22-9-10-25-31(5)13-12-26(37)32(6,20-36)24(31)11-14-34(25,8)33(22,7)15-16-35(23,27)29(39)40/h9,17,23-25,27,36H,10-16,18-20H2,1-8H3,(H,39,40)/t23-,24-,25-,27-,31+,32-,33-,34-,35+/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
| 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Binding affinity to Bcl-xL by fluorescein-labeled Bak-BH3 peptide competition binding assay |
J Nat Prod 72: 1314-20 (2009)
Checked by Author Article DOI: 10.1021/np900192r BindingDB Entry DOI: 10.7270/Q2KH0NCV |
More data for this Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50295299
(1-O-[alpha-L-(Rhamnopyranosyl]-23-acetoxy-3beta-ac...)Show SMILES C[C@@H]1O[C@@H](O[C@H]2C[C@H](OC(C)=O)[C@@](C)(COC(C)=O)[C@@H]3CC[C@]4(C)[C@H](CC=C5[C@H]6C[C@@](C)(CC[C@]6(C)CC[C@@]45C)C(O)=O)[C@@]23C)[C@H](O)[C@H](O)[C@H]1O |r,t:26| Show InChI InChI=1S/C40H62O11/c1-21-30(43)31(44)32(45)33(49-21)51-29-18-28(50-23(3)42)37(6,20-48-22(2)41)26-12-13-39(8)27(40(26,29)9)11-10-24-25-19-36(5,34(46)47)15-14-35(25,4)16-17-38(24,39)7/h10,21,25-33,43-45H,11-20H2,1-9H3,(H,46,47)/t21-,25+,26-,27-,28-,29-,30-,31+,32+,33-,35+,36+,37-,38+,39+,40-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 7.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Binding affinity to Bcl-xL by fluorescein-labeled Bak-BH3 peptide competition binding assay |
J Nat Prod 72: 1314-20 (2009)
Checked by Author Article DOI: 10.1021/np900192r BindingDB Entry DOI: 10.7270/Q2KH0NCV |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM50340336
(CHEMBL1760953 | N-(2-(3-((4-(4-fluorobenzoyl)piper...)Show SMILES COc1ccc2c(CN3CCC(CC3)C(=O)c3ccc(F)cc3)cn(CCNC(C)=O)c2n1 Show InChI InChI=1S/C25H29FN4O3/c1-17(31)27-11-14-30-16-20(22-7-8-23(33-2)28-25(22)30)15-29-12-9-19(10-13-29)24(32)18-3-5-21(26)6-4-18/h3-8,16,19H,9-15H2,1-2H3,(H,27,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.44E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description Displacement of 2-[125I]-iodomelatonin from human MT2 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 2316-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.097 BindingDB Entry DOI: 10.7270/Q27H1JWM |
More data for this Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50295300
(CHEMBL554122 | icterogenin)Show SMILES C\C=C(\C)C(=O)O[C@@H]1CC(C)(C)C[C@@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(O)=O |r,t:14| Show InChI InChI=1S/C35H52O6/c1-9-21(2)28(38)41-27-19-30(3,4)18-23-22-10-11-25-31(5)14-13-26(37)32(6,20-36)24(31)12-15-34(25,8)33(22,7)16-17-35(23,27)29(39)40/h9-10,23-25,27,36H,11-20H2,1-8H3,(H,39,40)/b21-9-/t23-,24-,25-,27-,31+,32-,33-,34-,35+/m1/s1 | 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
| 7.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Binding affinity to Bcl-xL by fluorescein-labeled Bak-BH3 peptide competition binding assay |
J Nat Prod 72: 1314-20 (2009)
Checked by Author Article DOI: 10.1021/np900192r BindingDB Entry DOI: 10.7270/Q2KH0NCV |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1A
(Homo sapiens (Human)) | BDBM50340334
(CHEMBL1760954 | N-(2-(6-methoxy-3-((methylamino)me...)Show InChI InChI=1S/C14H20N4O2/c1-10(19)16-6-7-18-9-11(8-15-2)12-4-5-13(20-3)17-14(12)18/h4-5,9,15H,6-8H2,1-3H3,(H,16,19) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description Displacement of 2-[125I]-iodomelatonin from human MT1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 2316-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.097 BindingDB Entry DOI: 10.7270/Q27H1JWM |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1A
(Homo sapiens (Human)) | BDBM50340336
(CHEMBL1760953 | N-(2-(3-((4-(4-fluorobenzoyl)piper...)Show SMILES COc1ccc2c(CN3CCC(CC3)C(=O)c3ccc(F)cc3)cn(CCNC(C)=O)c2n1 Show InChI InChI=1S/C25H29FN4O3/c1-17(31)27-11-14-30-16-20(22-7-8-23(33-2)28-25(22)30)15-29-12-9-19(10-13-29)24(32)18-3-5-21(26)6-4-18/h3-8,16,19H,9-15H2,1-2H3,(H,27,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description Displacement of 2-[125I]-iodomelatonin from human MT1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 2316-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.097 BindingDB Entry DOI: 10.7270/Q27H1JWM |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1A
(Homo sapiens (Human)) | BDBM50340337
(CHEMBL1760948 | N-(2-(3-((dimethylamino)methyl)-6-...)Show InChI InChI=1S/C15H22N4O2/c1-11(20)16-7-8-19-10-12(9-18(2)3)13-5-6-14(21-4)17-15(13)19/h5-6,10H,7-9H2,1-4H3,(H,16,20) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description Displacement of 2-[125I]-iodomelatonin from human MT1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 2316-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.097 BindingDB Entry DOI: 10.7270/Q27H1JWM |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1A
(Homo sapiens (Human)) | BDBM50340332
(CHEMBL1760951 | N-(2-(6-methoxy-3-(morpholinomethy...)Show InChI InChI=1S/C17H24N4O3/c1-13(22)18-5-6-21-12-14(11-20-7-9-24-10-8-20)15-3-4-16(23-2)19-17(15)21/h3-4,12H,5-11H2,1-2H3,(H,18,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description Displacement of 2-[125I]-iodomelatonin from human MT1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 2316-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.097 BindingDB Entry DOI: 10.7270/Q27H1JWM |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM50340337
(CHEMBL1760948 | N-(2-(3-((dimethylamino)methyl)-6-...)Show InChI InChI=1S/C15H22N4O2/c1-11(20)16-7-8-19-10-12(9-18(2)3)13-5-6-14(21-4)17-15(13)19/h5-6,10H,7-9H2,1-4H3,(H,16,20) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description Displacement of 2-[125I]-iodomelatonin from human MT2 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 2316-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.097 BindingDB Entry DOI: 10.7270/Q27H1JWM |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1A
(Homo sapiens (Human)) | BDBM50340335
(CHEMBL1760949 | N-(2-(3-((benzyl(methyl)amino)meth...)Show InChI InChI=1S/C21H26N4O2/c1-16(26)22-11-12-25-15-18(19-9-10-20(27-3)23-21(19)25)14-24(2)13-17-7-5-4-6-8-17/h4-10,15H,11-14H2,1-3H3,(H,22,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description Displacement of 2-[125I]-iodomelatonin from human MT1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 2316-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.097 BindingDB Entry DOI: 10.7270/Q27H1JWM |
More data for this Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50295162
(CHEMBL556082 | Meiogynin A)Show SMILES C[C@H](CCC=C(C)C)[C@@H]1C[C@H]2CC(C)=C[C@H](\C=C(/C)C3CCC(CC3)C(O)=O)[C@]2(C=C1)C(O)=O |r,wU:10.9,1.0,wD:8.7,15.15,28.33,c:13,31,(.38,-9.24,;.38,-7.7,;1.72,-6.94,;3.05,-7.71,;4.39,-6.94,;5.72,-7.71,;7.05,-6.94,;5.72,-9.25,;-.95,-6.93,;-2.28,-7.7,;-3.61,-6.93,;-4.95,-7.7,;-6.28,-6.93,;-7.62,-7.69,;-6.28,-5.39,;-4.94,-4.62,;-4.94,-3.08,;-6.28,-2.31,;-7.61,-3.08,;-6.28,-.77,;-7.61,-.01,;-7.61,1.53,;-6.28,2.31,;-4.95,1.53,;-4.95,-.01,;-6.28,3.85,;-4.95,4.61,;-7.62,4.61,;-3.61,-5.39,;-2.28,-4.62,;-.95,-5.39,;-3.21,-3.9,;-1.78,-3.31,;-4.43,-2.95,)| Show InChI InChI=1S/C30H44O4/c1-19(2)7-6-8-21(4)25-13-14-30(29(33)34)26(15-20(3)16-27(30)18-25)17-22(5)23-9-11-24(12-10-23)28(31)32/h7,13-15,17,21,23-27H,6,8-12,16,18H2,1-5H3,(H,31,32)(H,33,34)/b22-17+/t21-,23?,24?,25+,26-,27-,30+/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
| 1.08E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Displacement of fluorescent-tagged BH3 domain of Bak from Bcl-xL by fluorescence polarization assay |
J Nat Prod 72: 480-3 (2010)
Article DOI: 10.1021/np8006292 BindingDB Entry DOI: 10.7270/Q20R9PFQ |
More data for this Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50295301
(23-O-[alpha-L-(2',4'-Diacetylrhamnopyranosyl]imber...)Show SMILES C[C@@H]1O[C@@H](OC[C@]2(C)[C@@H](O)C[C@H](O)[C@@]3(C)[C@H]2CC[C@]2(C)[C@@H]3CC=C3[C@H]4C[C@@](C)(CC[C@]4(C)CC[C@@]23C)C(O)=O)[C@H](OC(C)=O)[C@H](O)[C@H]1OC(C)=O |r,t:24| Show InChI InChI=1S/C40H62O11/c1-21-31(50-22(2)41)30(45)32(51-23(3)42)33(49-21)48-20-37(6)26-12-13-39(8)27(40(26,9)29(44)18-28(37)43)11-10-24-25-19-36(5,34(46)47)15-14-35(25,4)16-17-38(24,39)7/h10,21,25-33,43-45H,11-20H2,1-9H3,(H,46,47)/t21-,25+,26-,27-,28-,29-,30+,31-,32+,33+,35+,36+,37-,38+,39+,40-/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
| 1.41E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Binding affinity to Bcl-xL by fluorescein-labeled Bak-BH3 peptide competition binding assay |
J Nat Prod 72: 1314-20 (2009)
Checked by Author Article DOI: 10.1021/np900192r BindingDB Entry DOI: 10.7270/Q2KH0NCV |
More data for this Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50295302
(23-acetoxy-3beta-acetylimberbic acid | CHEMBL53990...)Show SMILES CC(=O)OC[C@]1(C)[C@H](C[C@H](O)[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@H]3C[C@@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O)OC(C)=O |r,t:22| Show InChI InChI=1S/C34H52O7/c1-20(35)40-19-31(5)24-11-12-33(7)25(34(24,8)26(37)17-27(31)41-21(2)36)10-9-22-23-18-30(4,28(38)39)14-13-29(23,3)15-16-32(22,33)6/h9,23-27,37H,10-19H2,1-8H3,(H,38,39)/t23-,24+,25+,26+,27+,29-,30-,31+,32-,33-,34+/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
| 1.78E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Binding affinity to Bcl-xL by fluorescein-labeled Bak-BH3 peptide competition binding assay |
J Nat Prod 72: 1314-20 (2009)
Checked by Author Article DOI: 10.1021/np900192r BindingDB Entry DOI: 10.7270/Q2KH0NCV |
More data for this Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50295163
(1-epi-Meiogynin A | CHEMBL550027)Show SMILES C[C@H](CCC=C(C)C)[C@@H]1C[C@H]2CC(C)=C[C@@H](\C=C(/C)C3CCC(CC3)C(O)=O)[C@]2(C=C1)C(O)=O |r,wU:10.9,1.0,15.15,wD:8.7,28.33,c:13,31,(20.71,-9.08,;20.71,-7.54,;22.05,-6.77,;23.38,-7.54,;24.72,-6.78,;26.05,-7.55,;27.38,-6.78,;26.05,-9.09,;19.38,-6.77,;18.05,-7.53,;16.72,-6.77,;15.38,-7.54,;14.05,-6.76,;12.71,-7.53,;14.05,-5.23,;15.39,-4.46,;15.39,-2.92,;14.05,-2.15,;12.72,-2.92,;14.05,-.61,;12.72,.16,;12.72,1.7,;14.05,2.47,;15.38,1.7,;15.38,.16,;14.05,4.01,;15.38,4.78,;12.72,4.78,;16.72,-5.23,;18.05,-4.45,;19.38,-5.23,;17.12,-3.73,;18.61,-3.33,;16.02,-2.64,)| Show InChI InChI=1S/C30H44O4/c1-19(2)7-6-8-21(4)25-13-14-30(29(33)34)26(15-20(3)16-27(30)18-25)17-22(5)23-9-11-24(12-10-23)28(31)32/h7,13-15,17,21,23-27H,6,8-12,16,18H2,1-5H3,(H,31,32)(H,33,34)/b22-17+/t21-,23?,24?,25+,26+,27-,30+/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
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Displacement of fluorescent-tagged BH3 domain of Bak from Bcl-xL by fluorescence polarization assay |
J Nat Prod 72: 480-3 (2010)
Article DOI: 10.1021/np8006292 BindingDB Entry DOI: 10.7270/Q20R9PFQ |
More data for this Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50295305
(23-O-[alpha-L-(4'-Acetylrhamnopyranosyl]-3beta-ace...)Show SMILES C[C@@H]1O[C@@H](OC[C@]2(C)[C@H](C[C@H](O)[C@@]3(C)[C@H]2CC[C@]2(C)[C@@H]3CC=C3[C@H]4C[C@@](C)(CC[C@]4(C)CC[C@@]23C)C(O)=O)OC(C)=O)[C@H](O)[C@H](O)[C@H]1OC(C)=O |r,t:23| Show InChI InChI=1S/C40H62O11/c1-21-32(51-23(3)42)30(44)31(45)33(49-21)48-20-37(6)26-12-13-39(8)27(40(26,9)28(43)18-29(37)50-22(2)41)11-10-24-25-19-36(5,34(46)47)15-14-35(25,4)16-17-38(24,39)7/h10,21,25-33,43-45H,11-20H2,1-9H3,(H,46,47)/t21-,25+,26-,27-,28-,29-,30-,31+,32-,33+,35+,36+,37-,38+,39+,40-/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
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Binding affinity to Bcl-xL by fluorescein-labeled Bak-BH3 peptide competition binding assay |
J Nat Prod 72: 1314-20 (2009)
Checked by Author Article DOI: 10.1021/np900192r BindingDB Entry DOI: 10.7270/Q2KH0NCV |
More data for this Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50295310
(CHEMBL540988 | lantadene A)Show SMILES C\C=C(\C)C(=O)O[C@@H]1CC(C)(C)C[C@@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(O)=O |r,t:14| Show InChI InChI=1S/C35H52O5/c1-10-21(2)28(37)40-27-20-30(3,4)19-23-22-11-12-25-32(7)15-14-26(36)31(5,6)24(32)13-16-34(25,9)33(22,8)17-18-35(23,27)29(38)39/h10-11,23-25,27H,12-20H2,1-9H3,(H,38,39)/b21-10-/t23-,24+,25-,27-,32+,33-,34-,35+/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
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Binding affinity to Bcl-xL by fluorescein-labeled Bak-BH3 peptide competition binding assay |
J Nat Prod 72: 1314-20 (2009)
Checked by Author Article DOI: 10.1021/np900192r BindingDB Entry DOI: 10.7270/Q2KH0NCV |
More data for this Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50295309
(23-O-[alpha-L-(4'-Acetylrhamnopyranosyl]-3beta-ace...)Show SMILES COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3[C@](C)(CO[C@@H]5O[C@@H](C)[C@H](OC(C)=O)[C@@H](O)[C@H]5O)[C@H](C[C@H](O)[C@]43C)OC(C)=O)[C@H]2C1 |r,c:14| Show InChI InChI=1S/C41H64O11/c1-22-33(52-24(3)43)31(45)32(46)34(50-22)49-21-38(6)27-13-14-40(8)28(41(27,9)29(44)19-30(38)51-23(2)42)12-11-25-26-20-37(5,35(47)48-10)16-15-36(26,4)17-18-39(25,40)7/h11,22,26-34,44-46H,12-21H2,1-10H3/t22-,26+,27-,28-,29-,30-,31-,32+,33-,34+,36+,37+,38-,39+,40+,41-/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
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Binding affinity to Bcl-xL by fluorescein-labeled Bak-BH3 peptide competition binding assay |
J Nat Prod 72: 1314-20 (2009)
Checked by Author Article DOI: 10.1021/np900192r BindingDB Entry DOI: 10.7270/Q2KH0NCV |
More data for this Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50295308
(1-O-[alpha-L-(Rhamnopyranosyl]-23-acetoxy-3beta-ac...)Show SMILES COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3[C@](C)(COC(C)=O)[C@H](C[C@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@]43C)OC(C)=O)[C@H]2C1 |r,c:14| Show InChI InChI=1S/C41H64O11/c1-22-31(44)32(45)33(46)34(50-22)52-30-19-29(51-24(3)43)38(6,21-49-23(2)42)27-13-14-40(8)28(41(27,30)9)12-11-25-26-20-37(5,35(47)48-10)16-15-36(26,4)17-18-39(25,40)7/h11,22,26-34,44-46H,12-21H2,1-10H3/t22-,26+,27-,28-,29-,30-,31-,32+,33+,34-,36+,37+,38-,39+,40+,41-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Binding affinity to Bcl-xL by fluorescein-labeled Bak-BH3 peptide competition binding assay |
J Nat Prod 72: 1314-20 (2009)
Checked by Author Article DOI: 10.1021/np900192r BindingDB Entry DOI: 10.7270/Q2KH0NCV |
More data for this Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50295307
(23-O-[alpha-L-(4'-acetylrhamnopyranosyl]imberbic a...)Show SMILES C[C@@H]1O[C@@H](OC[C@]2(C)[C@@H](O)C[C@H](O)[C@@]3(C)[C@H]2CC[C@]2(C)[C@@H]3CC=C3[C@H]4C[C@@](C)(CC[C@]4(C)CC[C@@]23C)C(O)=O)[C@H](O)[C@H](O)[C@H]1O |r,t:24| Show InChI InChI=1S/C36H58O9/c1-19-26(39)27(40)28(41)29(45-19)44-18-33(4)22-10-11-35(6)23(36(22,7)25(38)16-24(33)37)9-8-20-21-17-32(3,30(42)43)13-12-31(21,2)14-15-34(20,35)5/h8,19,21-29,37-41H,9-18H2,1-7H3,(H,42,43)/t19-,21+,22-,23-,24-,25-,26-,27+,28+,29+,31+,32+,33-,34+,35+,36-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Binding affinity to Bcl-xL by fluorescein-labeled Bak-BH3 peptide competition binding assay |
J Nat Prod 72: 1314-20 (2009)
Checked by Author Article DOI: 10.1021/np900192r BindingDB Entry DOI: 10.7270/Q2KH0NCV |
More data for this Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50295306
(1-O-[alpha-L-(Rhamnopyranosyl]-23-acetoxyimberbic ...)Show SMILES COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3[C@](C)(COC(C)=O)[C@@H](O)C[C@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@]43C)[C@H]2C1 |r,c:14| Show InChI InChI=1S/C39H62O10/c1-21-29(42)30(43)31(44)32(48-21)49-28-18-27(41)36(5,20-47-22(2)40)25-12-13-38(7)26(39(25,28)8)11-10-23-24-19-35(4,33(45)46-9)15-14-34(24,3)16-17-37(23,38)6/h10,21,24-32,41-44H,11-20H2,1-9H3/t21-,24+,25-,26-,27-,28-,29-,30+,31+,32-,34+,35+,36-,37+,38+,39-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Binding affinity to Bcl-xL by fluorescein-labeled Bak-BH3 peptide competition binding assay |
J Nat Prod 72: 1314-20 (2009)
Checked by Author Article DOI: 10.1021/np900192r BindingDB Entry DOI: 10.7270/Q2KH0NCV |
More data for this Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50295303
(23-Acetoxyimberbic acid 29-methyl ester | CHEMBL55...)Show SMILES COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@@H](O)C[C@H](O)[C@@](C)(COC(C)=O)[C@@H]5CC[C@@]34C)[C@H]2C1 |r,c:14| Show InChI InChI=1S/C33H52O6/c1-20(34)39-19-30(4)23-11-12-32(6)24(33(23,7)26(36)17-25(30)35)10-9-21-22-18-29(3,27(37)38-8)14-13-28(22,2)15-16-31(21,32)5/h9,22-26,35-36H,10-19H2,1-8H3/t22-,23+,24+,25+,26+,28-,29-,30+,31-,32-,33+/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
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Binding affinity to Bcl-xL by fluorescein-labeled Bak-BH3 peptide competition binding assay |
J Nat Prod 72: 1314-20 (2009)
Checked by Author Article DOI: 10.1021/np900192r BindingDB Entry DOI: 10.7270/Q2KH0NCV |
More data for this Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50295304
(23-O-[alpha-L-(3',4'-Diacetylrhamnopyranosyl]-3bet...)Show SMILES C[C@@H]1O[C@@H](OC[C@]2(C)[C@H](C[C@H](O)[C@@]3(C)[C@H]2CC[C@]2(C)[C@@H]3CC=C3[C@H]4C[C@@](C)(CC[C@]4(C)CC[C@@]23C)C(O)=O)OC(C)=O)[C@H](O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r,t:23| Show InChI InChI=1S/C42H64O12/c1-22-33(53-24(3)44)34(54-25(4)45)32(47)35(51-22)50-21-39(7)28-13-14-41(9)29(42(28,10)30(46)19-31(39)52-23(2)43)12-11-26-27-20-38(6,36(48)49)16-15-37(27,5)17-18-40(26,41)8/h11,22,27-35,46-47H,12-21H2,1-10H3,(H,48,49)/t22-,27+,28-,29-,30-,31-,32+,33-,34-,35+,37+,38+,39-,40+,41+,42-/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
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Binding affinity to Bcl-xL by fluorescein-labeled Bak-BH3 peptide competition binding assay |
J Nat Prod 72: 1314-20 (2009)
Checked by Author Article DOI: 10.1021/np900192r BindingDB Entry DOI: 10.7270/Q2KH0NCV |
More data for this Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50295311
(CHEMBL555367 | lantadene B)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#8]-[#6@@H]1-[#6]C([#6])([#6])[#6]-[#6@@H]2-[#6]3=[#6]-[#6]-[#6@@H]4[C@@]5([#6])[#6]-[#6]-[#6](=O)C([#6])([#6])[#6@@H]5-[#6]-[#6][C@@]4([#6])[C@]3([#6])[#6]-[#6][C@@]12[#6](-[#8])=O |r,t:14| Show InChI InChI=1S/C35H52O5/c1-21(2)18-28(37)40-27-20-30(3,4)19-23-22-10-11-25-32(7)14-13-26(36)31(5,6)24(32)12-15-34(25,9)33(22,8)16-17-35(23,27)29(38)39/h10,18,23-25,27H,11-17,19-20H2,1-9H3,(H,38,39)/t23-,24+,25-,27-,32+,33-,34-,35+/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
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Binding affinity to Bcl-xL by fluorescein-labeled Bak-BH3 peptide competition binding assay |
J Nat Prod 72: 1314-20 (2009)
Checked by Author Article DOI: 10.1021/np900192r BindingDB Entry DOI: 10.7270/Q2KH0NCV |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM50340329
(4-azamelatonin | CHEMBL1760944)Show InChI InChI=1S/C12H15N3O2/c1-8(16)13-6-5-9-7-14-10-3-4-11(17-2)15-12(9)10/h3-4,7,14H,5-6H2,1-2H3,(H,13,16) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description Agonist activity at human MT2 receptor expressed in CHO cells by [35S]GTPgamma binding assay |
Bioorg Med Chem Lett 21: 2316-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.097 BindingDB Entry DOI: 10.7270/Q27H1JWM |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM50340327
(CHEMBL1760957 | N-(2-(5,6,7,8-Tetrahydro-2-methoxy...)Show InChI InChI=1S/C16H21N3O2/c1-11(20)17-9-10-19-14-6-4-3-5-12(14)13-7-8-15(21-2)18-16(13)19/h7-8H,3-6,9-10H2,1-2H3,(H,17,20) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description Agonist activity at human MT2 receptor expressed in CHO cells by [35S]GTPgamma binding assay |
Bioorg Med Chem Lett 21: 2316-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.097 BindingDB Entry DOI: 10.7270/Q27H1JWM |
More data for this Ligand-Target Pair | |