BDBM50124939 5-[4-(2-Methoxy-5-methyl-benzyl)-piperazin-1-yl]-2,2-dimethyl-1,2,6,7-tetrahydro-5H-azepino[3,2,1-hi]indol-4-one::CHEMBL351612

SMILES: COc1ccc(C)cc1CN1CCN(CC1)C1CCc2cccc3CC(C)(C)N(c23)C1=O

InChI Key: InChIKey=HBAHXUZJEDMSCG-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 = 50124939   

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
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50124939 (5-[4-(2-Methoxy-5-methyl-benzyl)-piperazin-1-yl]-2...) Show SMILES COc1ccc(C)cc1CN1CCN(CC1)C1CCc2cccc3CC(C)(C)N(c23)C1=O Show InChI InChI=1S/C27H35N3O2/c1-19-8-11-24(32-4)22(16-19)18-28-12-14-29(15-13-28)23-10-9-20-6-5-7-21-17-27(2,3)30(25(20)21)26(23)31/h5-8,11,16,23H,9-10,12-15,17-18H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from D4 receptor				Bioorg Med Chem Lett 13: 701-4 (2003) BindingDB Entry DOI: 10.7270/Q2B56J44
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50124939 (5-[4-(2-Methoxy-5-methyl-benzyl)-piperazin-1-yl]-2...) Show SMILES COc1ccc(C)cc1CN1CCN(CC1)C1CCc2cccc3CC(C)(C)N(c23)C1=O Show InChI InChI=1S/C27H35N3O2/c1-19-8-11-24(32-4)22(16-19)18-28-12-14-29(15-13-28)23-10-9-20-6-5-7-21-17-27(2,3)30(25(20)21)26(23)31/h5-8,11,16,23H,9-10,12-15,17-18H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	313	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from D2 receptor				Bioorg Med Chem Lett 13: 701-4 (2003) BindingDB Entry DOI: 10.7270/Q2B56J44
					More data for this Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50124939 (5-[4-(2-Methoxy-5-methyl-benzyl)-piperazin-1-yl]-2...) Show SMILES COc1ccc(C)cc1CN1CCN(CC1)C1CCc2cccc3CC(C)(C)N(c23)C1=O Show InChI InChI=1S/C27H35N3O2/c1-19-8-11-24(32-4)22(16-19)18-28-12-14-29(15-13-28)23-10-9-20-6-5-7-21-17-27(2,3)30(25(20)21)26(23)31/h5-8,11,16,23H,9-10,12-15,17-18H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	983	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from alpha-1 adrenergic receptor of rat brain homogenate				Bioorg Med Chem Lett 13: 701-4 (2003) BindingDB Entry DOI: 10.7270/Q2B56J44
					More data for this Ligand-Target Pair