BDBM50231448 CHEMBL253022::N-(6-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-2,3-dihydro-1H-inden-1-yl)propionamide

SMILES: CCC(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12

InChI Key: InChIKey=GMJXFEMNNKZIHB-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 = 50231448   

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 2A (Homo sapiens (Human))	BDBM50231448 (CHEMBL253022 | N-(6-(2-(4-(benzo[d]isothiazol-3-yl...) Show SMILES CCC(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:5.4| Show InChI InChI=1S/C25H30N4OS/c1-2-24(30)26-22-10-9-19-8-7-18(17-21(19)22)11-12-28-13-15-29(16-14-28)25-20-5-3-4-6-23(20)31-27-25/h3-8,17,22H,2,9-16H2,1H3,(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5HT2A receptor expressed in Swiss 3T3 cells				Bioorg Med Chem Lett 18: 489-93 (2008) Article DOI: 10.1016/j.bmcl.2007.11.106 BindingDB Entry DOI: 10.7270/Q2611023
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50231448 (CHEMBL253022 | N-(6-(2-(4-(benzo[d]isothiazol-3-yl...) Show SMILES CCC(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:5.4| Show InChI InChI=1S/C25H30N4OS/c1-2-24(30)26-22-10-9-19-8-7-18(17-21(19)22)11-12-28-13-15-29(16-14-28)25-20-5-3-4-6-23(20)31-27-25/h3-8,17,22H,2,9-16H2,1H3,(H,26,30)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.03	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from rat adrenergic alpha1A receptor expressed in fibroblast cells				Bioorg Med Chem Lett 18: 489-93 (2008) Article DOI: 10.1016/j.bmcl.2007.11.106 BindingDB Entry DOI: 10.7270/Q2611023
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50231448 (CHEMBL253022 | N-(6-(2-(4-(benzo[d]isothiazol-3-yl...) Show SMILES CCC(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:5.4| Show InChI InChI=1S/C25H30N4OS/c1-2-24(30)26-22-10-9-19-8-7-18(17-21(19)22)11-12-28-13-15-29(16-14-28)25-20-5-3-4-6-23(20)31-27-25/h3-8,17,22H,2,9-16H2,1H3,(H,26,30)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]8OHDPAT from human 5HT1A receptor				Bioorg Med Chem Lett 18: 489-93 (2008) Article DOI: 10.1016/j.bmcl.2007.11.106 BindingDB Entry DOI: 10.7270/Q2611023
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50231448 (CHEMBL253022 | N-(6-(2-(4-(benzo[d]isothiazol-3-yl...) Show SMILES CCC(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:5.4| Show InChI InChI=1S/C25H30N4OS/c1-2-24(30)26-22-10-9-19-8-7-18(17-21(19)22)11-12-28-13-15-29(16-14-28)25-20-5-3-4-6-23(20)31-27-25/h3-8,17,22H,2,9-16H2,1H3,(H,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2L receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 489-93 (2008) Article DOI: 10.1016/j.bmcl.2007.11.106 BindingDB Entry DOI: 10.7270/Q2611023
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50231448 (CHEMBL253022 | N-(6-(2-(4-(benzo[d]isothiazol-3-yl...) Show SMILES CCC(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:5.4| Show InChI InChI=1S/C25H30N4OS/c1-2-24(30)26-22-10-9-19-8-7-18(17-21(19)22)11-12-28-13-15-29(16-14-28)25-20-5-3-4-6-23(20)31-27-25/h3-8,17,22H,2,9-16H2,1H3,(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	164	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG channel expressed in HEK293 cells				Bioorg Med Chem Lett 18: 489-93 (2008) Article DOI: 10.1016/j.bmcl.2007.11.106 BindingDB Entry DOI: 10.7270/Q2611023
					More data for this Ligand-Target Pair