BDBM50051266 (R)-2-{2-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-butylcarbamoyl]-phenylamino}-3-methyl-butyric acid; hydrochloride::CHEMBL545143

SMILES: CC(C)[C@@H](Nc1ccccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12)C(O)=O

InChI Key: InChIKey=GSZHOWDOPPWVOO-XMMPIXPASA-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 = 50051266   

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))	BDBM50051266 ((R)-2-{2-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1...) Show SMILES CC(C)[C@@H](Nc1ccccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12)C(O)=O Show InChI InChI=1S/C27H35N5O3S/c1-19(2)24(27(34)35)29-22-11-5-3-9-20(22)26(33)28-13-7-8-14-31-15-17-32(18-16-31)25-21-10-4-6-12-23(21)36-30-25/h3-6,9-12,19,24,29H,7-8,13-18H2,1-2H3,(H,28,33)(H,34,35)/t24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 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))	BDBM50051266 ((R)-2-{2-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1...) Show SMILES CC(C)[C@@H](Nc1ccccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12)C(O)=O Show InChI InChI=1S/C27H35N5O3S/c1-19(2)24(27(34)35)29-22-11-5-3-9-20(22)26(33)28-13-7-8-14-31-15-17-32(18-16-31)25-21-10-4-6-12-23(21)36-30-25/h3-6,9-12,19,24,29H,7-8,13-18H2,1-2H3,(H,28,33)(H,34,35)/t24-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60	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