BDBM50086065 5-Methyl-6-trifluoromethyl-2,3-dihydro-indole-1-carboxylic acid [6-(2-methyl-pyridin-3-yloxy)-pyridin-3-yl]-amide::5-methyl-N-(6-(2-methylpyridin-3-yloxy)pyridin-3-yl)-6-(trifluoromethyl)indoline-1-carboxamide::CHEMBL14460::SB-243213
SMILES: Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1C(F)(F)F
InChI Key: InChIKey=ZETBBVYSBABLHL-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
5-hydroxytryptamine receptor 2C (Homo sapiens (Human)) | BDBM50086065 (5-Methyl-6-trifluoromethyl-2,3-dihydro-indole-1-ca...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | PubMed | 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity towards human cloned 5-hydroxytryptamine receptor 2C in HEK293 cells, using [3H]mesulergine as radioligand. | J Med Chem 43: 1123-34 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q23X85V5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2C (Homo sapiens (Human)) | BDBM50086065 (5-Methyl-6-trifluoromethyl-2,3-dihydro-indole-1-ca...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | PubMed | 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity towards human cloned 5-hydroxytryptamine 2C receptor of HEK293 cells by displacement of [3H]mesulergine | Bioorg Med Chem Lett 10: 1863-6 (2000) BindingDB Entry DOI: 10.7270/Q2X63Q4P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2C (Homo sapiens (Human)) | BDBM50086065 (5-Methyl-6-trifluoromethyl-2,3-dihydro-indole-1-ca...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithkline Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity for human 5-hydroxytryptamine 2C receptor expressed in HEK 293 cells using [3H]mesulergine | Bioorg Med Chem Lett 15: 4989-93 (2005) Article DOI: 10.1016/j.bmcl.2005.08.004 BindingDB Entry DOI: 10.7270/Q2Z89DNZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2B (Homo sapiens (Human)) | BDBM50086065 (5-Methyl-6-trifluoromethyl-2,3-dihydro-indole-1-ca...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | PubMed | 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinities towards human cloned 5-hydroxytryptamine 2B receptor in HEK293 cells using [3H]5-HT as radioligand. | J Med Chem 43: 1123-34 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q23X85V5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2B (Homo sapiens (Human)) | BDBM50086065 (5-Methyl-6-trifluoromethyl-2,3-dihydro-indole-1-ca...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | PubMed | 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity towards human cloned 5-HT2B receptor of HEK293 cells by displacement of [3H]5-HT | Bioorg Med Chem Lett 10: 1863-6 (2000) BindingDB Entry DOI: 10.7270/Q2X63Q4P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2B (Homo sapiens (Human)) | BDBM50086065 (5-Methyl-6-trifluoromethyl-2,3-dihydro-indole-1-ca...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithkline Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity for human 5-hydroxytryptamine 2B receptor expressed in HEK 293 cells using [3H]5-HT | Bioorg Med Chem Lett 15: 4989-93 (2005) Article DOI: 10.1016/j.bmcl.2005.08.004 BindingDB Entry DOI: 10.7270/Q2Z89DNZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2A (Homo sapiens (Human)) | BDBM50086065 (5-Methyl-6-trifluoromethyl-2,3-dihydro-indole-1-ca...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | PubMed | 158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity towards human cloned 5-hydroxytryptamine receptor 2A in HEK293 cells, using [3H]ketanserin as radioligand. | J Med Chem 43: 1123-34 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q23X85V5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2A (Homo sapiens (Human)) | BDBM50086065 (5-Methyl-6-trifluoromethyl-2,3-dihydro-indole-1-ca...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | PubMed | 158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity towards human cloned 5-hydroxytryptamine 2A receptor of HEK293 cells by displacement of [3H]ketanserin | Bioorg Med Chem Lett 10: 1863-6 (2000) BindingDB Entry DOI: 10.7270/Q2X63Q4P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2A (Homo sapiens (Human)) | BDBM50086065 (5-Methyl-6-trifluoromethyl-2,3-dihydro-indole-1-ca...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithkline Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity for human 5-hydroxytryptamine 2A receptor expressed in HEK 293 cells using [3H]ketanserin | Bioorg Med Chem Lett 15: 4989-93 (2005) Article DOI: 10.1016/j.bmcl.2005.08.004 BindingDB Entry DOI: 10.7270/Q2Z89DNZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(4) dopamine receptor (Homo sapiens (Human)) | BDBM50086065 (5-Methyl-6-trifluoromethyl-2,3-dihydro-indole-1-ca...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology Curated by ChEMBL | Assay Description Displacement of [3H]spiperone from human cloned dopamine D4 receptor | Bioorg Med Chem Lett 18: 3844-7 (2008) Article DOI: 10.1016/j.bmcl.2008.06.064 BindingDB Entry DOI: 10.7270/Q2P84BQN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(3) dopamine receptor (Homo sapiens (Human)) | BDBM50086065 (5-Methyl-6-trifluoromethyl-2,3-dihydro-indole-1-ca...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology Curated by ChEMBL | Assay Description Displacement of [3H]spiperone from human cloned dopamine D3 receptor | Bioorg Med Chem Lett 18: 3844-7 (2008) Article DOI: 10.1016/j.bmcl.2008.06.064 BindingDB Entry DOI: 10.7270/Q2P84BQN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50086065 (5-Methyl-6-trifluoromethyl-2,3-dihydro-indole-1-ca...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology Curated by ChEMBL | Assay Description Displacement of [3H]spiperone from human cloned dopamine D2 receptor | Bioorg Med Chem Lett 18: 3844-7 (2008) Article DOI: 10.1016/j.bmcl.2008.06.064 BindingDB Entry DOI: 10.7270/Q2P84BQN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 7 (Homo sapiens (Human)) | BDBM50086065 (5-Methyl-6-trifluoromethyl-2,3-dihydro-indole-1-ca...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology Curated by ChEMBL | Assay Description Displacement of [3H]LSD from human cloned 5HT7 receptor | Bioorg Med Chem Lett 18: 3844-7 (2008) Article DOI: 10.1016/j.bmcl.2008.06.064 BindingDB Entry DOI: 10.7270/Q2P84BQN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 6 (Homo sapiens (Human)) | BDBM50086065 (5-Methyl-6-trifluoromethyl-2,3-dihydro-indole-1-ca...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 667 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology Curated by ChEMBL | Assay Description Displacement of [3H]LSD from human cloned 5HT6 receptor | Bioorg Med Chem Lett 18: 3844-7 (2008) Article DOI: 10.1016/j.bmcl.2008.06.064 BindingDB Entry DOI: 10.7270/Q2P84BQN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50086065 (5-Methyl-6-trifluoromethyl-2,3-dihydro-indole-1-ca...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of heterologously expressed human cytochrome P450 2C9 | J Med Chem 43: 1123-34 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q23X85V5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50086065 (5-Methyl-6-trifluoromethyl-2,3-dihydro-indole-1-ca...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology Curated by ChEMBL | Assay Description Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor | Bioorg Med Chem Lett 18: 3844-7 (2008) Article DOI: 10.1016/j.bmcl.2008.06.064 BindingDB Entry DOI: 10.7270/Q2P84BQN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50086065 (5-Methyl-6-trifluoromethyl-2,3-dihydro-indole-1-ca...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of heterologously expressed human cytochrome P450 3A4 | J Med Chem 43: 1123-34 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q23X85V5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50086065 (5-Methyl-6-trifluoromethyl-2,3-dihydro-indole-1-ca...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of heterologously expressed human cytochrome P450 1A2 | J Med Chem 43: 1123-34 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q23X85V5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM50086065 (5-Methyl-6-trifluoromethyl-2,3-dihydro-indole-1-ca...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of heterologously expressed human cytochrome P450 2C19 | J Med Chem 43: 1123-34 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q23X85V5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50086065 (5-Methyl-6-trifluoromethyl-2,3-dihydro-indole-1-ca...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of heterologously expressed human cytochrome P450 2D6 | J Med Chem 43: 1123-34 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q23X85V5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2C (Homo sapiens (Human)) | BDBM50086065 (5-Methyl-6-trifluoromethyl-2,3-dihydro-indole-1-ca...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology Curated by ChEMBL | Assay Description Displacement of [3H]mesulergine at human cloned 5HT2C receptor expressed in CHOK1 cell | Bioorg Med Chem Lett 18: 3844-7 (2008) Article DOI: 10.1016/j.bmcl.2008.06.064 BindingDB Entry DOI: 10.7270/Q2P84BQN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2A (Homo sapiens (Human)) | BDBM50086065 (5-Methyl-6-trifluoromethyl-2,3-dihydro-indole-1-ca...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 32.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology Curated by ChEMBL | Assay Description Displacement of [3H]ketanserin from human cloned 5HT2A receptor | Bioorg Med Chem Lett 18: 3844-7 (2008) Article DOI: 10.1016/j.bmcl.2008.06.064 BindingDB Entry DOI: 10.7270/Q2P84BQN | |||||||||||
More data for this Ligand-Target Pair |