BDBM50051264 CHEMBL544206::N-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-butyl]-3-chloro-5-ethyl-2-hydroxy-6-methoxy-benzamide; hydrochloride

SMILES: CCc1cc(Cl)c(O)c(C(=O)NCCCCN2CCN(CC2)c2nsc3ccccc23)c1OC

InChI Key: InChIKey=VYPOWWQQBJXOGV-UHFFFAOYSA-N

Data: 2 IC50

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 = 50051264   

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(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50051264 (CHEMBL544206 | N-[4-(4-Benzo[d]isothiazol-3-yl-pip...) Show SMILES CCc1cc(Cl)c(O)c(C(=O)NCCCCN2CCN(CC2)c2nsc3ccccc23)c1OC Show InChI InChI=1S/C25H31ClN4O3S/c1-3-17-16-19(26)22(31)21(23(17)33-2)25(32)27-10-6-7-11-29-12-14-30(15-13-29)24-18-8-4-5-9-20(18)34-28-24/h4-5,8-9,16,31H,3,6-7,10-15H2,1-2H3,(H,27,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]raclopride binding to dopamine receptor D2				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50051264 (CHEMBL544206 | N-[4-(4-Benzo[d]isothiazol-3-yl-pip...) Show SMILES CCc1cc(Cl)c(O)c(C(=O)NCCCCN2CCN(CC2)c2nsc3ccccc23)c1OC Show InChI InChI=1S/C25H31ClN4O3S/c1-3-17-16-19(26)22(31)21(23(17)33-2)25(32)27-10-6-7-11-29-12-14-30(15-13-29)24-18-8-4-5-9-20(18)34-28-24/h4-5,8-9,16,31H,3,6-7,10-15H2,1-2H3,(H,27,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair