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SMILES: CN(C)CCNC1=Nc2cccnc2Nc2ccc(C)cc12

InChI Key: InChIKey=XRUGPPHJNKGQNE-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50120944   

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 (Rattus norvegicus (rat))	BDBM50120944 (CHEMBL149493 | N,N-Dimethyl-N'-(8-methyl-11H-benzo...) Show SMILES CN(C)CCNC1=Nc2cccnc2Nc2ccc(C)cc12 |t:6| Show InChI InChI=1S/C17H21N5/c1-12-6-7-14-13(11-12)16(19-9-10-22(2)3)21-15-5-4-8-18-17(15)20-14/h4-8,11H,9-10H2,1-3H3,(H,18,20)(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liège Curated by ChEMBL					Assay Description In vitro binding affinity at 5-hydroxytryptamine 2A receptor in rat cortical membrane				J Med Chem 45: 5136-49 (2002) BindingDB Entry DOI: 10.7270/Q2571BC1
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50120944 (CHEMBL149493 | N,N-Dimethyl-N'-(8-methyl-11H-benzo...) Show SMILES CN(C)CCNC1=Nc2cccnc2Nc2ccc(C)cc12 |t:6| Show InChI InChI=1S/C17H21N5/c1-12-6-7-14-13(11-12)16(19-9-10-22(2)3)21-15-5-4-8-18-17(15)20-14/h4-8,11H,9-10H2,1-3H3,(H,18,20)(H,19,21)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liège Curated by ChEMBL					Assay Description In vitro binding affinity at human cloned Dopamine receptor D4 expressed in Sf9 cell membranes				J Med Chem 45: 5136-49 (2002) BindingDB Entry DOI: 10.7270/Q2571BC1
					More data for this Ligand-Target Pair