BDBM50086072 5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-carboxylic acid (4-methyl-3-pyridin-3-yl-phenyl)-amide::CHEMBL14606

SMILES: COc1cc2CCN(C(=O)Nc3ccc(C)c(c3)-c3cccnc3)c2cc1C(F)(F)F

InChI Key: InChIKey=PZNJOBNPOKNKKD-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 = 50086072   

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))	BDBM50086072 (5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-c...) Show SMILES COc1cc2CCN(C(=O)Nc3ccc(C)c(c3)-c3cccnc3)c2cc1C(F)(F)F Show InChI InChI=1S/C23H20F3N3O2/c1-14-5-6-17(11-18(14)16-4-3-8-27-13-16)28-22(30)29-9-7-15-10-21(31-2)19(12-20(15)29)23(24,25)26/h3-6,8,10-13H,7,9H2,1-2H3,(H,28,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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 2B (Homo sapiens (Human))	BDBM50086072 (5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-c...) Show SMILES COc1cc2CCN(C(=O)Nc3ccc(C)c(c3)-c3cccnc3)c2cc1C(F)(F)F Show InChI InChI=1S/C23H20F3N3O2/c1-14-5-6-17(11-18(14)16-4-3-8-27-13-16)28-22(30)29-9-7-15-10-21(31-2)19(12-20(15)29)23(24,25)26/h3-6,8,10-13H,7,9H2,1-2H3,(H,28,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5	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))	BDBM50086072 (5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-c...) Show SMILES COc1cc2CCN(C(=O)Nc3ccc(C)c(c3)-c3cccnc3)c2cc1C(F)(F)F Show InChI InChI=1S/C23H20F3N3O2/c1-14-5-6-17(11-18(14)16-4-3-8-27-13-16)28-22(30)29-9-7-15-10-21(31-2)19(12-20(15)29)23(24,25)26/h3-6,8,10-13H,7,9H2,1-2H3,(H,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.01E+3	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))	BDBM50086072 (5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-c...) Show SMILES COc1cc2CCN(C(=O)Nc3ccc(C)c(c3)-c3cccnc3)c2cc1C(F)(F)F Show InChI InChI=1S/C23H20F3N3O2/c1-14-5-6-17(11-18(14)16-4-3-8-27-13-16)28-22(30)29-9-7-15-10-21(31-2)19(12-20(15)29)23(24,25)26/h3-6,8,10-13H,7,9H2,1-2H3,(H,28,30)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.00E+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