Found 60 hits of Enzyme Inhibition Constant Data 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 |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM123341
(US8742106, 1.45)Show SMILES COc1ccc(cc1)C(C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C25H23F3N4O3/c1-15(16-9-11-18(34-3)12-10-16)29-20(33)14-35-21-13-19(25(26,27)28)22-23(17-7-5-4-6-8-17)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| 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 |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM123325
(US8742106, 1.4)Show SMILES COc1ccc(cc1)[C@H](C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C25H23F3N4O3/c1-15(16-9-11-18(34-3)12-10-16)29-20(33)14-35-21-13-19(25(26,27)28)22-23(17-7-5-4-6-8-17)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33)/t15-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| 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 |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM123327
(US8742106, 1.6)Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1c(C)n[nH]c1C |r| Show InChI InChI=1S/C23H23F3N6O2/c1-12(19-13(2)29-30-14(19)3)27-17(33)11-34-18-10-16(23(24,25)26)20-21(15-8-6-5-7-9-15)31-32(4)22(20)28-18/h5-10,12H,11H2,1-4H3,(H,27,33)(H,29,30)/t12-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| 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 |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM123327
(US8742106, 1.6)Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1c(C)n[nH]c1C |r| Show InChI InChI=1S/C23H23F3N6O2/c1-12(19-13(2)29-30-14(19)3)27-17(33)11-34-18-10-16(23(24,25)26)20-21(15-8-6-5-7-9-15)31-32(4)22(20)28-18/h5-10,12H,11H2,1-4H3,(H,27,33)(H,29,30)/t12-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| 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 |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Displacement of [125l]orexin A from human orexin 1 receptor expressed in CHO cells after 1 hr |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM123338
(US8742106, 1.38)Show SMILES CC(NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1c(C)n[nH]c1C Show InChI InChI=1S/C23H23F3N6O2/c1-12(19-13(2)29-30-14(19)3)27-17(33)11-34-18-10-16(23(24,25)26)20-21(15-8-6-5-7-9-15)31-32(4)22(20)28-18/h5-10,12H,11H2,1-4H3,(H,27,33)(H,29,30) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| 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 |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM123338
(US8742106, 1.38)Show SMILES CC(NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1c(C)n[nH]c1C Show InChI InChI=1S/C23H23F3N6O2/c1-12(19-13(2)29-30-14(19)3)27-17(33)11-34-18-10-16(23(24,25)26)20-21(15-8-6-5-7-9-15)31-32(4)22(20)28-18/h5-10,12H,11H2,1-4H3,(H,27,33)(H,29,30) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| 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 |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM123357
(US8742106, 4.7)Show SMILES C[C@H](NC(=O)COc1cc(C)c2c(nn(C)c2n1)-c1ncccn1)c1ccc(C)cc1 |r| Show InChI InChI=1S/C23H24N6O2/c1-14-6-8-17(9-7-14)16(3)26-18(30)13-31-19-12-15(2)20-21(22-24-10-5-11-25-22)28-29(4)23(20)27-19/h5-12,16H,13H2,1-4H3,(H,26,30)/t16-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| 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 |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM123325
(US8742106, 1.4)Show SMILES COc1ccc(cc1)[C@H](C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C25H23F3N4O3/c1-15(16-9-11-18(34-3)12-10-16)29-20(33)14-35-21-13-19(25(26,27)28)22-23(17-7-5-4-6-8-17)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33)/t15-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| 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 |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Displacement of [125l]orexin A from human orexin 2 receptor expressed in CHO cells after 1 hr |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM123327
(US8742106, 1.6)Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1c(C)n[nH]c1C |r| Show InChI InChI=1S/C23H23F3N6O2/c1-12(19-13(2)29-30-14(19)3)27-17(33)11-34-18-10-16(23(24,25)26)20-21(15-8-6-5-7-9-15)31-32(4)22(20)28-18/h5-10,12H,11H2,1-4H3,(H,27,33)(H,29,30)/t12-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| 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 |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM123357
(US8742106, 4.7)Show SMILES C[C@H](NC(=O)COc1cc(C)c2c(nn(C)c2n1)-c1ncccn1)c1ccc(C)cc1 |r| Show InChI InChI=1S/C23H24N6O2/c1-14-6-8-17(9-7-14)16(3)26-18(30)13-31-19-12-15(2)20-21(22-24-10-5-11-25-22)28-29(4)23(20)27-19/h5-12,16H,13H2,1-4H3,(H,26,30)/t16-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| 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 |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50133874
(CHEMBL3634021)Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1c(C)nn(C)c1C |r| Show InChI InChI=1S/C24H25F3N6O2/c1-13(20-14(2)30-32(4)15(20)3)28-18(34)12-35-19-11-17(24(25,26)27)21-22(16-9-7-6-8-10-16)31-33(5)23(21)29-19/h6-11,13H,12H2,1-5H3,(H,28,34)/t13-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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 |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM123325
(US8742106, 1.4)Show SMILES COc1ccc(cc1)[C@H](C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C25H23F3N4O3/c1-15(16-9-11-18(34-3)12-10-16)29-20(33)14-35-21-13-19(25(26,27)28)22-23(17-7-5-4-6-8-17)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33)/t15-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| 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 |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Displacement of [125l]orexin A from human orexin 1 receptor expressed in CHO cells after 1 hr |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM123327
(US8742106, 1.6)Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1c(C)n[nH]c1C |r| Show InChI InChI=1S/C23H23F3N6O2/c1-12(19-13(2)29-30-14(19)3)27-17(33)11-34-18-10-16(23(24,25)26)20-21(15-8-6-5-7-9-15)31-32(4)22(20)28-18/h5-10,12H,11H2,1-4H3,(H,27,33)(H,29,30)/t12-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| 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 |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Displacement of [125l]orexin A from human orexin 2 receptor expressed in CHO cells after 1 hr |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50133874
(CHEMBL3634021)Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1c(C)nn(C)c1C |r| Show InChI InChI=1S/C24H25F3N6O2/c1-13(20-14(2)30-32(4)15(20)3)28-18(34)12-35-19-11-17(24(25,26)27)21-22(16-9-7-6-8-10-16)31-33(5)23(21)29-19/h6-11,13H,12H2,1-5H3,(H,28,34)/t13-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank 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 |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM123325
(US8742106, 1.4)Show SMILES COc1ccc(cc1)[C@H](C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C25H23F3N4O3/c1-15(16-9-11-18(34-3)12-10-16)29-20(33)14-35-21-13-19(25(26,27)28)22-23(17-7-5-4-6-8-17)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33)/t15-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| 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 |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM123358
(US8742106, 4.8)Show SMILES C[C@H](NC(=O)COc1cc(C)c2c(nn(C)c2n1)-c1cnccn1)c1ccc(C)cc1 |r| Show InChI InChI=1S/C23H24N6O2/c1-14-5-7-17(8-6-14)16(3)26-19(30)13-31-20-11-15(2)21-22(18-12-24-9-10-25-18)28-29(4)23(21)27-20/h5-12,16H,13H2,1-4H3,(H,26,30)/t16-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| 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 |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM123342
(US8742106, 1.46)Show SMILES COc1cccc(c1)C(C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C25H23F3N4O3/c1-15(17-10-7-11-18(12-17)34-3)29-20(33)14-35-21-13-19(25(26,27)28)22-23(16-8-5-4-6-9-16)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM123398
(US8742106, 6.63)Show SMILES Cc1ccc2[C@H](CCc2n1)NC(=O)COc1cc(C)c2c(nn(C)c2n1)C1CC1 |r| Show InChI InChI=1S/C22H25N5O2/c1-12-10-19(25-22-20(12)21(14-5-6-14)26-27(22)3)29-11-18(28)24-17-9-8-16-15(17)7-4-13(2)23-16/h4,7,10,14,17H,5-6,8-9,11H2,1-3H3,(H,24,28)/t17-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM123342
(US8742106, 1.46)Show SMILES COc1cccc(c1)C(C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C25H23F3N4O3/c1-15(17-10-7-11-18(12-17)34-3)29-20(33)14-35-21-13-19(25(26,27)28)22-23(16-8-5-4-6-9-16)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM123341
(US8742106, 1.45)Show SMILES COc1ccc(cc1)C(C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C25H23F3N4O3/c1-15(16-9-11-18(34-3)12-10-16)29-20(33)14-35-21-13-19(25(26,27)28)22-23(17-7-5-4-6-8-17)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM123323
(US8742106, 1.2)Show SMILES C[C@H](NC(=O)COc1cc(c2c(n[nH]c2n1)-c1ccccc1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C23H19F3N4O2/c1-14(15-8-4-2-5-9-15)27-18(31)13-32-19-12-17(23(24,25)26)20-21(29-30-22(20)28-19)16-10-6-3-7-11-16/h2-12,14H,13H2,1H3,(H,27,31)(H,28,29,30)/t14-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM123358
(US8742106, 4.8)Show SMILES C[C@H](NC(=O)COc1cc(C)c2c(nn(C)c2n1)-c1cnccn1)c1ccc(C)cc1 |r| Show InChI InChI=1S/C23H24N6O2/c1-14-5-7-17(8-6-14)16(3)26-19(30)13-31-20-11-15(2)21-22(18-12-24-9-10-25-18)28-29(4)23(21)27-20/h5-12,16H,13H2,1-4H3,(H,26,30)/t16-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50133880
(CHEMBL3634028)Show SMILES CC(NC(=O)COc1cc(C(F)F)c2c(nn(C)c2n1)-c1ccccc1)c1c(C)nn(C)c1C Show InChI InChI=1S/C24H26F2N6O2/c1-13(20-14(2)29-31(4)15(20)3)27-18(33)12-34-19-11-17(23(25)26)21-22(16-9-7-6-8-10-16)30-32(5)24(21)28-19/h6-11,13,23H,12H2,1-5H3,(H,27,33) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50133880
(CHEMBL3634028)Show SMILES CC(NC(=O)COc1cc(C(F)F)c2c(nn(C)c2n1)-c1ccccc1)c1c(C)nn(C)c1C Show InChI InChI=1S/C24H26F2N6O2/c1-13(20-14(2)29-31(4)15(20)3)27-18(33)12-34-19-11-17(23(25)26)21-22(16-9-7-6-8-10-16)30-32(5)24(21)28-19/h6-11,13,23H,12H2,1-5H3,(H,27,33) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM123331
(US8742106, 1.18)Show SMILES CC(NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C24H21F3N4O2/c1-15(16-9-5-3-6-10-16)28-19(32)14-33-20-13-18(24(25,26)27)21-22(17-11-7-4-8-12-17)30-31(2)23(21)29-20/h3-13,15H,14H2,1-2H3,(H,28,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| 78 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM123340
(US8742106, 1.41)Show SMILES COc1ccc(CNC(=O)COc2cc(c3c(nn(C)c3n2)-c2ccccc2)C(F)(F)F)cc1 Show InChI InChI=1S/C24H21F3N4O3/c1-31-23-21(22(30-31)16-6-4-3-5-7-16)18(24(25,26)27)12-20(29-23)34-14-19(32)28-13-15-8-10-17(33-2)11-9-15/h3-12H,13-14H2,1-2H3,(H,28,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 83 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM123331
(US8742106, 1.18)Show SMILES CC(NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C24H21F3N4O2/c1-15(16-9-5-3-6-10-16)28-19(32)14-33-20-13-18(24(25,26)27)21-22(17-11-7-4-8-12-17)30-31(2)23(21)29-20/h3-13,15H,14H2,1-2H3,(H,28,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| 88 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Displacement of [125l]orexin A from human orexin 1 receptor expressed in CHO cells after 1 hr |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50133877
(CHEMBL3634027)Show SMILES Cc1cc2CC[C@H](NC(=O)COc3cc(C)c4c(nn(C)c4n3)C3CC3)c2cn1 |r| Show InChI InChI=1S/C22H25N5O2/c1-12-8-19(25-22-20(12)21(14-4-5-14)26-27(22)3)29-11-18(28)24-17-7-6-15-9-13(2)23-10-16(15)17/h8-10,14,17H,4-7,11H2,1-3H3,(H,24,28)/t17-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 93 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM123330
(US8742106, 1.17)Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C24H21F3N4O2/c1-15(16-9-5-3-6-10-16)28-19(32)14-33-20-13-18(24(25,26)27)21-22(17-11-7-4-8-12-17)30-31(2)23(21)29-20/h3-13,15H,14H2,1-2H3,(H,28,32)/t15-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| 108 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM123398
(US8742106, 6.63)Show SMILES Cc1ccc2[C@H](CCc2n1)NC(=O)COc1cc(C)c2c(nn(C)c2n1)C1CC1 |r| Show InChI InChI=1S/C22H25N5O2/c1-12-10-19(25-22-20(12)21(14-5-6-14)26-27(22)3)29-11-18(28)24-17-9-8-16-15(17)7-4-13(2)23-16/h4,7,10,14,17H,5-6,8-9,11H2,1-3H3,(H,24,28)/t17-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 109 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM123331
(US8742106, 1.18)Show SMILES CC(NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C24H21F3N4O2/c1-15(16-9-5-3-6-10-16)28-19(32)14-33-20-13-18(24(25,26)27)21-22(17-11-7-4-8-12-17)30-31(2)23(21)29-20/h3-13,15H,14H2,1-2H3,(H,28,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50133881
(CHEMBL3634009)Show SMILES COc1ccccc1C(C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C25H23F3N4O3/c1-15(17-11-7-8-12-19(17)34-3)29-20(33)14-35-21-13-18(25(26,27)28)22-23(16-9-5-4-6-10-16)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM123331
(US8742106, 1.18)Show SMILES CC(NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C24H21F3N4O2/c1-15(16-9-5-3-6-10-16)28-19(32)14-33-20-13-18(24(25,26)27)21-22(17-11-7-4-8-12-17)30-31(2)23(21)29-20/h3-13,15H,14H2,1-2H3,(H,28,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| 168 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Displacement of [125l]orexin A from human orexin 2 receptor expressed in CHO cells after 1 hr |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM123330
(US8742106, 1.17)Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C24H21F3N4O2/c1-15(16-9-5-3-6-10-16)28-19(32)14-33-20-13-18(24(25,26)27)21-22(17-11-7-4-8-12-17)30-31(2)23(21)29-20/h3-13,15H,14H2,1-2H3,(H,28,32)/t15-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| 175 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM123323
(US8742106, 1.2)Show SMILES C[C@H](NC(=O)COc1cc(c2c(n[nH]c2n1)-c1ccccc1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C23H19F3N4O2/c1-14(15-8-4-2-5-9-15)27-18(31)13-32-19-12-17(23(24,25)26)20-21(29-30-22(20)28-19)16-10-6-3-7-11-16/h2-12,14H,13H2,1H3,(H,27,31)(H,28,29,30)/t14-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50133881
(CHEMBL3634009)Show SMILES COc1ccccc1C(C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C25H23F3N4O3/c1-15(17-11-7-8-12-19(17)34-3)29-20(33)14-35-21-13-18(25(26,27)28)22-23(16-9-5-4-6-10-16)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 274 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50133873
(CHEMBL3634020)Show SMILES C[C@H](NC(=O)CNc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C24H22F3N5O/c1-15(16-9-5-3-6-10-16)29-20(33)14-28-19-13-18(24(25,26)27)21-22(17-11-7-4-8-12-17)31-32(2)23(21)30-19/h3-13,15H,14H2,1-2H3,(H,28,30)(H,29,33)/t15-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 357 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50133875
(CHEMBL3634023)Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccn1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C23H20F3N5O2/c1-14(15-8-4-3-5-9-15)28-18(32)13-33-19-12-16(23(24,25)26)20-21(17-10-6-7-11-27-17)30-31(2)22(20)29-19/h3-12,14H,13H2,1-2H3,(H,28,32)/t14-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 367 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50133878
(CHEMBL3634026)Show SMILES CC(NC(=O)COc1cc(C(F)F)c2c(nn(C)c2n1)C1CC1)c1c(C)nn(C)c1C Show InChI InChI=1S/C21H26F2N6O2/c1-10(17-11(2)26-28(4)12(17)3)24-15(30)9-31-16-8-14(20(22)23)18-19(13-6-7-13)27-29(5)21(18)25-16/h8,10,13,20H,6-7,9H2,1-5H3,(H,24,30) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 527 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50133883
(CHEMBL3634012)Show SMILES CC(NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1cccnc1 Show InChI InChI=1S/C23H20F3N5O2/c1-14(16-9-6-10-27-12-16)28-18(32)13-33-19-11-17(23(24,25)26)20-21(15-7-4-3-5-8-15)30-31(2)22(20)29-19/h3-12,14H,13H2,1-2H3,(H,28,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 582 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50133875
(CHEMBL3634023)Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccn1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C23H20F3N5O2/c1-14(15-8-4-3-5-9-15)28-18(32)13-33-19-12-16(23(24,25)26)20-21(17-10-6-7-11-27-17)30-31(2)22(20)29-19/h3-12,14H,13H2,1-2H3,(H,28,32)/t14-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 660 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50133878
(CHEMBL3634026)Show SMILES CC(NC(=O)COc1cc(C(F)F)c2c(nn(C)c2n1)C1CC1)c1c(C)nn(C)c1C Show InChI InChI=1S/C21H26F2N6O2/c1-10(17-11(2)26-28(4)12(17)3)24-15(30)9-31-16-8-14(20(22)23)18-19(13-6-7-13)27-29(5)21(18)25-16/h8,10,13,20H,6-7,9H2,1-5H3,(H,24,30) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 778 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50133877
(CHEMBL3634027)Show SMILES Cc1cc2CC[C@H](NC(=O)COc3cc(C)c4c(nn(C)c4n3)C3CC3)c2cn1 |r| Show InChI InChI=1S/C22H25N5O2/c1-12-8-19(25-22-20(12)21(14-4-5-14)26-27(22)3)29-11-18(28)24-17-7-6-15-9-13(2)23-10-16(15)17/h8-10,14,17H,4-7,11H2,1-3H3,(H,24,28)/t17-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 783 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM123340
(US8742106, 1.41)Show SMILES COc1ccc(CNC(=O)COc2cc(c3c(nn(C)c3n2)-c2ccccc2)C(F)(F)F)cc1 Show InChI InChI=1S/C24H21F3N4O3/c1-31-23-21(22(30-31)16-6-4-3-5-7-16)18(24(25,26)27)12-20(29-23)34-14-19(32)28-13-15-8-10-17(33-2)11-9-15/h3-12H,13-14H2,1-2H3,(H,28,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50133871
(CHEMBL3634014)Show SMILES COc1ccc(cc1)[C@@H](C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C25H23F3N4O3/c1-15(16-9-11-18(34-3)12-10-16)29-20(33)14-35-21-13-19(25(26,27)28)22-23(17-7-5-4-6-8-17)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33)/t15-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 949 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50133883
(CHEMBL3634012)Show SMILES CC(NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1cccnc1 Show InChI InChI=1S/C23H20F3N5O2/c1-14(16-9-6-10-27-12-16)28-18(32)13-33-19-11-17(23(24,25)26)20-21(15-7-4-3-5-8-15)30-31(2)22(20)29-19/h3-12,14H,13H2,1-2H3,(H,28,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 970 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50133873
(CHEMBL3634020)Show SMILES C[C@H](NC(=O)CNc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C24H22F3N5O/c1-15(16-9-5-3-6-10-16)29-20(33)14-28-19-13-18(24(25,26)27)21-22(17-11-7-4-8-12-17)31-32(2)23(21)30-19/h3-13,15H,14H2,1-2H3,(H,28,30)(H,29,33)/t15-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50133872
(CHEMBL3634016)Show SMILES C[C@@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1c(C)n[nH]c1C |r| Show InChI InChI=1S/C23H23F3N6O2/c1-12(19-13(2)29-30-14(19)3)27-17(33)11-34-18-10-16(23(24,25)26)20-21(15-8-6-5-7-9-15)31-32(4)22(20)28-18/h5-10,12H,11H2,1-4H3,(H,27,33)(H,29,30)/t12-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50133871
(CHEMBL3634014)Show SMILES COc1ccc(cc1)[C@@H](C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C25H23F3N4O3/c1-15(16-9-11-18(34-3)12-10-16)29-20(33)14-35-21-13-19(25(26,27)28)22-23(17-7-5-4-6-8-17)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33)/t15-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50133882
(CHEMBL3634011)Show SMILES CC(NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1ccccn1 Show InChI InChI=1S/C23H20F3N5O2/c1-14(17-10-6-7-11-27-17)28-18(32)13-33-19-12-16(23(24,25)26)20-21(15-8-4-3-5-9-15)30-31(2)22(20)29-19/h3-12,14H,13H2,1-2H3,(H,28,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50133872
(CHEMBL3634016)Show SMILES C[C@@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1c(C)n[nH]c1C |r| Show InChI InChI=1S/C23H23F3N6O2/c1-12(19-13(2)29-30-14(19)3)27-17(33)11-34-18-10-16(23(24,25)26)20-21(15-8-6-5-7-9-15)31-32(4)22(20)28-18/h5-10,12H,11H2,1-4H3,(H,27,33)(H,29,30)/t12-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM123325
(US8742106, 1.4)Show SMILES COc1ccc(cc1)[C@H](C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C25H23F3N4O3/c1-15(16-9-11-18(34-3)12-10-16)29-20(33)14-35-21-13-19(25(26,27)28)22-23(17-7-5-4-6-8-17)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33)/t15-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM123325
(US8742106, 1.4)Show SMILES COc1ccc(cc1)[C@H](C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C25H23F3N4O3/c1-15(16-9-11-18(34-3)12-10-16)29-20(33)14-35-21-13-19(25(26,27)28)22-23(17-7-5-4-6-8-17)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33)/t15-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM123327
(US8742106, 1.6)Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1c(C)n[nH]c1C |r| Show InChI InChI=1S/C23H23F3N6O2/c1-12(19-13(2)29-30-14(19)3)27-17(33)11-34-18-10-16(23(24,25)26)20-21(15-8-6-5-7-9-15)31-32(4)22(20)28-18/h5-10,12H,11H2,1-4H3,(H,27,33)(H,29,30)/t12-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM123327
(US8742106, 1.6)Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1c(C)n[nH]c1C |r| Show InChI InChI=1S/C23H23F3N6O2/c1-12(19-13(2)29-30-14(19)3)27-17(33)11-34-18-10-16(23(24,25)26)20-21(15-8-6-5-7-9-15)31-32(4)22(20)28-18/h5-10,12H,11H2,1-4H3,(H,27,33)(H,29,30)/t12-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM123325
(US8742106, 1.4)Show SMILES COc1ccc(cc1)[C@H](C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C25H23F3N4O3/c1-15(16-9-11-18(34-3)12-10-16)29-20(33)14-35-21-13-19(25(26,27)28)22-23(17-7-5-4-6-8-17)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33)/t15-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM123327
(US8742106, 1.6)Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1c(C)n[nH]c1C |r| Show InChI InChI=1S/C23H23F3N6O2/c1-12(19-13(2)29-30-14(19)3)27-17(33)11-34-18-10-16(23(24,25)26)20-21(15-8-6-5-7-9-15)31-32(4)22(20)28-18/h5-10,12H,11H2,1-4H3,(H,27,33)(H,29,30)/t12-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM123327
(US8742106, 1.6)Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1c(C)n[nH]c1C |r| Show InChI InChI=1S/C23H23F3N6O2/c1-12(19-13(2)29-30-14(19)3)27-17(33)11-34-18-10-16(23(24,25)26)20-21(15-8-6-5-7-9-15)31-32(4)22(20)28-18/h5-10,12H,11H2,1-4H3,(H,27,33)(H,29,30)/t12-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Binding affinity to human ERG |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM123325
(US8742106, 1.4)Show SMILES COc1ccc(cc1)[C@H](C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C25H23F3N4O3/c1-15(16-9-11-18(34-3)12-10-16)29-20(33)14-35-21-13-19(25(26,27)28)22-23(17-7-5-4-6-8-17)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33)/t15-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Binding affinity to human ERG |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM123327
(US8742106, 1.6)Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1c(C)n[nH]c1C |r| Show InChI InChI=1S/C23H23F3N6O2/c1-12(19-13(2)29-30-14(19)3)27-17(33)11-34-18-10-16(23(24,25)26)20-21(15-8-6-5-7-9-15)31-32(4)22(20)28-18/h5-10,12H,11H2,1-4H3,(H,27,33)(H,29,30)/t12-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of human ERG by QPatch assay |
Bioorg Med Chem Lett 25: 5555-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX |
More data for this Ligand-Target Pair | |