BDBM50218192 CHEMBL54707

SMILES: Cc1cc2CCN(C(=O)Nc3ccc(OCc4cnccn4)nc3)c2cc1C(F)(F)F

InChI Key: InChIKey=VBVQALLSEUJYOK-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 = 50218192   

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))	BDBM50218192 (CHEMBL54707) Show SMILES Cc1cc2CCN(C(=O)Nc3ccc(OCc4cnccn4)nc3)c2cc1C(F)(F)F Show InChI InChI=1S/C21H18F3N5O2/c1-13-8-14-4-7-29(18(14)9-17(13)21(22,23)24)20(30)28-15-2-3-19(27-11-15)31-12-16-10-25-5-6-26-16/h2-3,5-6,8-11H,4,7,12H2,1H3,(H,28,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description In vitro binding affinity at human cloned 5-hydroxytryptamine 2C receptor of HEK293 cells by [3H]mesulergine displacement.				Bioorg Med Chem Lett 10: 1867-70 (2000) BindingDB Entry DOI: 10.7270/Q2SF2ZB2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50218192 (CHEMBL54707) Show SMILES Cc1cc2CCN(C(=O)Nc3ccc(OCc4cnccn4)nc3)c2cc1C(F)(F)F Show InChI InChI=1S/C21H18F3N5O2/c1-13-8-14-4-7-29(18(14)9-17(13)21(22,23)24)20(30)28-15-2-3-19(27-11-15)31-12-16-10-25-5-6-26-16/h2-3,5-6,8-11H,4,7,12H2,1H3,(H,28,30)	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 In vitro binding affinity at human cloned 5-hydroxytryptamine 2B receptor of HEK293 cells by [3H]5-HT displacement.				Bioorg Med Chem Lett 10: 1867-70 (2000) BindingDB Entry DOI: 10.7270/Q2SF2ZB2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50218192 (CHEMBL54707) Show SMILES Cc1cc2CCN(C(=O)Nc3ccc(OCc4cnccn4)nc3)c2cc1C(F)(F)F Show InChI InChI=1S/C21H18F3N5O2/c1-13-8-14-4-7-29(18(14)9-17(13)21(22,23)24)20(30)28-15-2-3-19(27-11-15)31-12-16-10-25-5-6-26-16/h2-3,5-6,8-11H,4,7,12H2,1H3,(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	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description In vitro binding affinity at human cloned 5-hydroxytryptamine 2A receptor of HEK293 cells by [3H]ketanserin displacement.				Bioorg Med Chem Lett 10: 1867-70 (2000) BindingDB Entry DOI: 10.7270/Q2SF2ZB2
					More data for this Ligand-Target Pair