BDBM50077658 1,1-Dioxo-2-[4-(3-phenyl-pyrrolidin-1-yl)-butyl]-1,2-dihydro-1lambda*6*-benzo[d]isothiazol-3-one::CHEMBL28831

SMILES: O=C1N(CCCCN2CCC(C2)c2ccccc2)S(=O)(=O)c2ccccc12

InChI Key: InChIKey=YRBNPVDPNYJOMH-UHFFFAOYSA-N

Data: 5 KI

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 5 hits for monomerid = 50077658   

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))	BDBM50077658 (1,1-Dioxo-2-[4-(3-phenyl-pyrrolidin-1-yl)-butyl]-1...) Show SMILES O=C1N(CCCCN2CCC(C2)c2ccccc2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C21H24N2O3S/c24-21-19-10-4-5-11-20(19)27(25,26)23(21)14-7-6-13-22-15-12-18(16-22)17-8-2-1-3-9-17/h1-5,8-11,18H,6-7,12-16H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against 5-HT1A receptor of rat hippocampus using [3H]-8-OH-DPAT				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50077658 (1,1-Dioxo-2-[4-(3-phenyl-pyrrolidin-1-yl)-butyl]-1...) Show SMILES O=C1N(CCCCN2CCC(C2)c2ccccc2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C21H24N2O3S/c24-21-19-10-4-5-11-20(19)27(25,26)23(21)14-7-6-13-22-15-12-18(16-22)17-8-2-1-3-9-17/h1-5,8-11,18H,6-7,12-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against Alpha-2 adrenergic receptor of rat cerebral cortex using [3H]RX-821002				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50077658 (1,1-Dioxo-2-[4-(3-phenyl-pyrrolidin-1-yl)-butyl]-1...) Show SMILES O=C1N(CCCCN2CCC(C2)c2ccccc2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C21H24N2O3S/c24-21-19-10-4-5-11-20(19)27(25,26)23(21)14-7-6-13-22-15-12-18(16-22)17-8-2-1-3-9-17/h1-5,8-11,18H,6-7,12-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against 5-HT2A receptor of rat cerebrial cortex using [3H]-ketanserin				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50077658 (1,1-Dioxo-2-[4-(3-phenyl-pyrrolidin-1-yl)-butyl]-1...) Show SMILES O=C1N(CCCCN2CCC(C2)c2ccccc2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C21H24N2O3S/c24-21-19-10-4-5-11-20(19)27(25,26)23(21)14-7-6-13-22-15-12-18(16-22)17-8-2-1-3-9-17/h1-5,8-11,18H,6-7,12-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	195	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against Dopamine receptor D2 of rat striatum using [3H]-raclopride				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50077658 (1,1-Dioxo-2-[4-(3-phenyl-pyrrolidin-1-yl)-butyl]-1...) Show SMILES O=C1N(CCCCN2CCC(C2)c2ccccc2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C21H24N2O3S/c24-21-19-10-4-5-11-20(19)27(25,26)23(21)14-7-6-13-22-15-12-18(16-22)17-8-2-1-3-9-17/h1-5,8-11,18H,6-7,12-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against Dopamine receptor D1 of rat striatum using [3H]-SCH-23,390				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair