BDBM50054713 2-Amino-thiophene-3-carboxylic acid [4-(4-benzo[d]isothiazol-3-yl-piperazin-1-yl)-butyl]-amide::CHEMBL141485

SMILES: Nc1sccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12

InChI Key: InChIKey=XJOFOTULUMAAAE-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 = 50054713   

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))	BDBM50054713 (2-Amino-thiophene-3-carboxylic acid [4-(4-benzo[d]...) Show SMILES Nc1sccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C20H25N5OS2/c21-18-16(7-14-27-18)20(26)22-8-3-4-9-24-10-12-25(13-11-24)19-15-5-1-2-6-17(15)28-23-19/h1-2,5-7,14H,3-4,8-13,21H2,(H,22,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 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))	BDBM50054713 (2-Amino-thiophene-3-carboxylic acid [4-(4-benzo[d]...) Show SMILES Nc1sccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C20H25N5OS2/c21-18-16(7-14-27-18)20(26)22-8-3-4-9-24-10-12-25(13-11-24)19-15-5-1-2-6-17(15)28-23-19/h1-2,5-7,14H,3-4,8-13,21H2,(H,22,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	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