BDBM50077664 2-{4-[3-(4-Fluoro-phenyl)-pyrrolidin-1-yl]-butyl}-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[d]isothiazol-3-one::CHEMBL417661

SMILES: Fc1ccc(cc1)C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)C1

InChI Key: InChIKey=LIWHJGHRCCCSFT-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 = 50077664   

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))	BDBM50077664 (2-{4-[3-(4-Fluoro-phenyl)-pyrrolidin-1-yl]-butyl}-...) Show SMILES Fc1ccc(cc1)C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)C1 Show InChI InChI=1S/C21H23FN2O3S/c22-18-9-7-16(8-10-18)17-11-14-23(15-17)12-3-4-13-24-21(25)19-5-1-2-6-20(19)28(24,26)27/h1-2,5-10,17H,3-4,11-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.20	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
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50077664 (2-{4-[3-(4-Fluoro-phenyl)-pyrrolidin-1-yl]-butyl}-...) Show SMILES Fc1ccc(cc1)C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)C1 Show InChI InChI=1S/C21H23FN2O3S/c22-18-9-7-16(8-10-18)17-11-14-23(15-17)12-3-4-13-24-21(25)19-5-1-2-6-20(19)28(24,26)27/h1-2,5-10,17H,3-4,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	263	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
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50077664 (2-{4-[3-(4-Fluoro-phenyl)-pyrrolidin-1-yl]-butyl}-...) Show SMILES Fc1ccc(cc1)C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)C1 Show InChI InChI=1S/C21H23FN2O3S/c22-18-9-7-16(8-10-18)17-11-14-23(15-17)12-3-4-13-24-21(25)19-5-1-2-6-20(19)28(24,26)27/h1-2,5-10,17H,3-4,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	334	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))	BDBM50077664 (2-{4-[3-(4-Fluoro-phenyl)-pyrrolidin-1-yl]-butyl}-...) Show SMILES Fc1ccc(cc1)C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)C1 Show InChI InChI=1S/C21H23FN2O3S/c22-18-9-7-16(8-10-18)17-11-14-23(15-17)12-3-4-13-24-21(25)19-5-1-2-6-20(19)28(24,26)27/h1-2,5-10,17H,3-4,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>367	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(1A) dopamine receptor (RAT)	BDBM50077664 (2-{4-[3-(4-Fluoro-phenyl)-pyrrolidin-1-yl]-butyl}-...) Show SMILES Fc1ccc(cc1)C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)C1 Show InChI InChI=1S/C21H23FN2O3S/c22-18-9-7-16(8-10-18)17-11-14-23(15-17)12-3-4-13-24-21(25)19-5-1-2-6-20(19)28(24,26)27/h1-2,5-10,17H,3-4,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.67E+3	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