BDBM50124931 5-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1,2,6,7-tetrahydro-5H-azepino[3,2,1-hi]indol-4-one::CHEMBL352207

SMILES: Clc1ccc(CN2CCN(CC2)C2CCc3cccc4CCN(c34)C2=O)cc1

InChI Key: InChIKey=MDCLDPYRUQCBTL-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50124931   

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))	BDBM50124931 (5-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1,2,6,7-tet...) Show SMILES Clc1ccc(CN2CCN(CC2)C2CCc3cccc4CCN(c34)C2=O)cc1 Show InChI InChI=1S/C23H26ClN3O/c24-20-7-4-17(5-8-20)16-25-12-14-26(15-13-25)21-9-6-18-2-1-3-19-10-11-27(22(18)19)23(21)28/h1-5,7-8,21H,6,9-16H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description D4 receptor functional activity was measured inhibition of quinpirole stimulated [35S]GTP-gamma-S binding from cell membranes.				Bioorg Med Chem Lett 13: 701-4 (2003) BindingDB Entry DOI: 10.7270/Q2B56J44
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50124931 (5-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1,2,6,7-tet...) Show SMILES Clc1ccc(CN2CCN(CC2)C2CCc3cccc4CCN(c34)C2=O)cc1 Show InChI InChI=1S/C23H26ClN3O/c24-20-7-4-17(5-8-20)16-25-12-14-26(15-13-25)21-9-6-18-2-1-3-19-10-11-27(22(18)19)23(21)28/h1-5,7-8,21H,6,9-16H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5	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))	BDBM50124931 (5-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1,2,6,7-tet...) Show SMILES Clc1ccc(CN2CCN(CC2)C2CCc3cccc4CCN(c34)C2=O)cc1 Show InChI InChI=1S/C23H26ClN3O/c24-20-7-4-17(5-8-20)16-25-12-14-26(15-13-25)21-9-6-18-2-1-3-19-10-11-27(22(18)19)23(21)28/h1-5,7-8,21H,6,9-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description D2 receptor functional activity was measured through reversal of quinpirole inhibited, forskolin stimulated cAMP production from whole cells				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))	BDBM50124931 (5-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1,2,6,7-tet...) Show SMILES Clc1ccc(CN2CCN(CC2)C2CCc3cccc4CCN(c34)C2=O)cc1 Show InChI InChI=1S/C23H26ClN3O/c24-20-7-4-17(5-8-20)16-25-12-14-26(15-13-25)21-9-6-18-2-1-3-19-10-11-27(22(18)19)23(21)28/h1-5,7-8,21H,6,9-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	116	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))	BDBM50124931 (5-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1,2,6,7-tet...) Show SMILES Clc1ccc(CN2CCN(CC2)C2CCc3cccc4CCN(c34)C2=O)cc1 Show InChI InChI=1S/C23H26ClN3O/c24-20-7-4-17(5-8-20)16-25-12-14-26(15-13-25)21-9-6-18-2-1-3-19-10-11-27(22(18)19)23(21)28/h1-5,7-8,21H,6,9-16H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.28E+3	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