BDBM50092047 3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1,3,4,5-tetrahydro-benzo[b]azepin-2-one::CHEMBL67042

SMILES: Clc1ccc(CN2CCN(CC2)C2CCc3ccccc3NC2=O)cc1

InChI Key: InChIKey=XDOUPAPTLSROOR-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50092047   

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))	BDBM50092047 (3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1,3,4,5-tet...) Show SMILES Clc1ccc(CN2CCN(CC2)C2CCc3ccccc3NC2=O)cc1 Show InChI InChI=1S/C21H24ClN3O/c22-18-8-5-16(6-9-18)15-24-11-13-25(14-12-24)20-10-7-17-3-1-2-4-19(17)23-21(20)26/h1-6,8-9,20H,7,10-15H2,(H,23,26)	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
Neurogen Corporation Curated by ChEMBL					Assay Description Binding affinity at human Dopamine receptor D4 by [3H]- YM 09151 displacement.				Bioorg Med Chem Lett 10: 2119-22 (2000) BindingDB Entry DOI: 10.7270/Q2SN0869
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50092047 (3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1,3,4,5-tet...) Show SMILES Clc1ccc(CN2CCN(CC2)C2CCc3ccccc3NC2=O)cc1 Show InChI InChI=1S/C21H24ClN3O/c22-18-8-5-16(6-9-18)15-24-11-13-25(14-12-24)20-10-7-17-3-1-2-4-19(17)23-21(20)26/h1-6,8-9,20H,7,10-15H2,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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
Neurogen Corporation Curated by ChEMBL					Assay Description Binding affinity at human Dopamine receptor D2 by [3H]- YM 09151 displacement.				Bioorg Med Chem Lett 10: 2119-22 (2000) BindingDB Entry DOI: 10.7270/Q2SN0869
					More data for this Ligand-Target Pair