BDBM50051285 CHEMBL542554::{4-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-butylcarbamoyl]-phenyl}-carbamic acid tert-butyl ester; hydrochloride

SMILES: CC(C)(C)OC(=O)Nc1ccc(cc1)C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12

InChI Key: InChIKey=HNZXNNAOSSPHBX-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 = 50051285   

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
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50051285 (CHEMBL542554 | {4-[4-(4-Benzo[d]isothiazol-3-yl-pi...) Show SMILES CC(C)(C)OC(=O)Nc1ccc(cc1)C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C27H35N5O3S/c1-27(2,3)35-26(34)29-21-12-10-20(11-13-21)25(33)28-14-6-7-15-31-16-18-32(19-17-31)24-22-8-4-5-9-23(22)36-30-24/h4-5,8-13H,6-7,14-19H2,1-3H3,(H,28,33)(H,29,34)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	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
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50051285 (CHEMBL542554 | {4-[4-(4-Benzo[d]isothiazol-3-yl-pi...) Show SMILES CC(C)(C)OC(=O)Nc1ccc(cc1)C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C27H35N5O3S/c1-27(2,3)35-26(34)29-21-12-10-20(11-13-21)25(33)28-14-6-7-15-31-16-18-32(19-17-31)24-22-8-4-5-9-23(22)36-30-24/h4-5,8-13H,6-7,14-19H2,1-3H3,(H,28,33)(H,29,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 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