BDBM50086055 5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-carboxylic acid (3-ethyl-5-pyridin-3-yl-phenyl)-amide::CHEMBL416896

SMILES: CCc1cc(NC(=O)N2CCc3cc(OC)c(cc23)C(F)(F)F)cc(c1)-c1cccnc1

InChI Key: InChIKey=WHIABSZOSLXOTJ-UHFFFAOYSA-N

Data: 3 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50086055   

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))	BDBM50086055 (5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-c...) Show SMILES CCc1cc(NC(=O)N2CCc3cc(OC)c(cc23)C(F)(F)F)cc(c1)-c1cccnc1 Show InChI InChI=1S/C24H22F3N3O2/c1-3-15-9-18(17-5-4-7-28-14-17)11-19(10-15)29-23(31)30-8-6-16-12-22(32-2)20(13-21(16)30)24(25,26)27/h4-5,7,9-14H,3,6,8H2,1-2H3,(H,29,31)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.630	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 2B (Homo sapiens (Human))	BDBM50086055 (5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-c...) Show SMILES CCc1cc(NC(=O)N2CCc3cc(OC)c(cc23)C(F)(F)F)cc(c1)-c1cccnc1 Show InChI InChI=1S/C24H22F3N3O2/c1-3-15-9-18(17-5-4-7-28-14-17)11-19(10-15)29-23(31)30-8-6-16-12-22(32-2)20(13-21(16)30)24(25,26)27/h4-5,7,9-14H,3,6,8H2,1-2H3,(H,29,31)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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 2A (Homo sapiens (Human))	BDBM50086055 (5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-c...) Show SMILES CCc1cc(NC(=O)N2CCc3cc(OC)c(cc23)C(F)(F)F)cc(c1)-c1cccnc1 Show InChI InChI=1S/C24H22F3N3O2/c1-3-15-9-18(17-5-4-7-28-14-17)11-19(10-15)29-23(31)30-8-6-16-12-22(32-2)20(13-21(16)30)24(25,26)27/h4-5,7,9-14H,3,6,8H2,1-2H3,(H,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	200	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
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50086055 (5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-c...) Show SMILES CCc1cc(NC(=O)N2CCc3cc(OC)c(cc23)C(F)(F)F)cc(c1)-c1cccnc1 Show InChI InChI=1S/C24H22F3N3O2/c1-3-15-9-18(17-5-4-7-28-14-17)11-19(10-15)29-23(31)30-8-6-16-12-22(32-2)20(13-21(16)30)24(25,26)27/h4-5,7,9-14H,3,6,8H2,1-2H3,(H,29,31)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.00E+3	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