BDBM50054703 CHEMBL358268::Quinoline-8-carboxylic acid [4-(4-benzo[d]isothiazol-3-yl-piperazin-1-yl)-butyl]-amide

SMILES: O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1cccc2cccnc12

InChI Key: InChIKey=RKPLYODDRKZPRV-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 = 50054703   

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 (Mus musculus (Mouse))	BDBM50054703 (CHEMBL358268 | Quinoline-8-carboxylic acid [4-(4-b...) Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1cccc2cccnc12 Show InChI InChI=1S/C25H27N5OS/c31-25(21-10-5-7-19-8-6-13-26-23(19)21)27-12-3-4-14-29-15-17-30(18-16-29)24-20-9-1-2-11-22(20)32-28-24/h1-2,5-11,13H,3-4,12,14-18H2,(H,27,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Dopamine receptor D2 from mice				J Med Chem 39: 4692-703 (1997) Article DOI: 10.1021/jm9603375 BindingDB Entry DOI: 10.7270/Q2VT1R6T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A) (Mus musculus (Mouse))	BDBM50054703 (CHEMBL358268 | Quinoline-8-carboxylic acid [4-(4-b...) Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1cccc2cccnc12 Show InChI InChI=1S/C25H27N5OS/c31-25(21-10-5-7-19-8-6-13-26-23(19)21)27-12-3-4-14-29-15-17-30(18-16-29)24-20-9-1-2-11-22(20)32-28-24/h1-2,5-11,13H,3-4,12,14-18H2,(H,27,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description Inhibitory activity against serotonin 5-hydroxytryptamine 1A receptor from mice.				J Med Chem 39: 4692-703 (1997) Article DOI: 10.1021/jm9603375 BindingDB Entry DOI: 10.7270/Q2VT1R6T
					More data for this Ligand-Target Pair