BDBM50217978 CHEMBL53152

SMILES: Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Br)c(cc23)C(F)(F)F)cn1

InChI Key: InChIKey=UQHXXBDODGHAMJ-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50217978   

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))	BDBM50217978 (CHEMBL53152) Show SMILES Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Br)c(cc23)C(F)(F)F)cn1 Show InChI InChI=1S/C21H16BrF3N4O2/c1-12-18(3-2-7-26-12)31-19-5-4-14(11-27-19)28-20(30)29-8-6-13-9-16(22)15(10-17(13)29)21(23,24)25/h2-5,7,9-11H,6,8H2,1H3,(H,28,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	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 2B (Homo sapiens (Human))	BDBM50217978 (CHEMBL53152) Show SMILES Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Br)c(cc23)C(F)(F)F)cn1 Show InChI InChI=1S/C21H16BrF3N4O2/c1-12-18(3-2-7-26-12)31-19-5-4-14(11-27-19)28-20(30)29-8-6-13-9-16(22)15(10-17(13)29)21(23,24)25/h2-5,7,9-11H,6,8H2,1H3,(H,28,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 2A (Homo sapiens (Human))	BDBM50217978 (CHEMBL53152) Show SMILES Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Br)c(cc23)C(F)(F)F)cn1 Show InChI InChI=1S/C21H16BrF3N4O2/c1-12-18(3-2-7-26-12)31-19-5-4-14(11-27-19)28-20(30)29-8-6-13-9-16(22)15(10-17(13)29)21(23,24)25/h2-5,7,9-11H,6,8H2,1H3,(H,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	126	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