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SMILES: Clc1ccc(Nc2nc(nc3ccccc23)N2CCNCC2)cc1

InChI Key: InChIKey=BULIRMIXOHACFW-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50115100   

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 2A (Homo sapiens (Human))	BDBM50115100 (CHEMBL3609171) Show SMILES Clc1ccc(Nc2nc(nc3ccccc23)N2CCNCC2)cc1 Show InChI InChI=1S/C18H18ClN5/c19-13-5-7-14(8-6-13)21-17-15-3-1-2-4-16(15)22-18(23-17)24-11-9-20-10-12-24/h1-8,20H,9-12H2,(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin hydrochloride from 5-HT2A receptor (unknown origin) expressed in HEK293 cell membranes incubated for 15 mins by liquid...				Bioorg Med Chem Lett 25: 3970-4 (2015) BindingDB Entry DOI: 10.7270/Q2CC12G9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50115100 (CHEMBL3609171) Show SMILES Clc1ccc(Nc2nc(nc3ccccc23)N2CCNCC2)cc1 Show InChI InChI=1S/C18H18ClN5/c19-13-5-7-14(8-6-13)21-17-15-3-1-2-4-16(15)22-18(23-17)24-11-9-20-10-12-24/h1-8,20H,9-12H2,(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Antagonist activity against 5-HT2A receptor (unknown origin) expressed in HEK293 cell membranes assessed as reduction in [35S]-GTPgammaS binding incu...				Bioorg Med Chem Lett 25: 3970-4 (2015) BindingDB Entry DOI: 10.7270/Q2CC12G9
					More data for this Ligand-Target Pair