BDBM50231437 CHEMBL252230::N-(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-2,3-dihydro-1H-inden-1-yl)cyclopropanecarboxamide

SMILES: O=C(NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12)C1CC1

InChI Key: InChIKey=LSIUKLXQSPBSEE-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50231437   

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))	BDBM50231437 (CHEMBL252230 | N-(5-(2-(4-(benzo[d]isothiazol-3-yl...) Show SMILES O=C(NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12)C1CC1 |w:3.2| Show InChI InChI=1S/C26H30N4OS/c31-26(19-6-7-19)27-23-10-8-20-17-18(5-9-21(20)23)11-12-29-13-15-30(16-14-29)25-22-3-1-2-4-24(22)32-28-25/h1-5,9,17,19,23H,6-8,10-16H2,(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.450	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))	BDBM50231437 (CHEMBL252230 | N-(5-(2-(4-(benzo[d]isothiazol-3-yl...) Show SMILES O=C(NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12)C1CC1 |w:3.2| Show InChI InChI=1S/C26H30N4OS/c31-26(19-6-7-19)27-23-10-8-20-17-18(5-9-21(20)23)11-12-29-13-15-30(16-14-29)25-22-3-1-2-4-24(22)32-28-25/h1-5,9,17,19,23H,6-8,10-16H2,(H,27,31)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.730	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))	BDBM50231437 (CHEMBL252230 | N-(5-(2-(4-(benzo[d]isothiazol-3-yl...) Show SMILES O=C(NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12)C1CC1 |w:3.2| Show InChI InChI=1S/C26H30N4OS/c31-26(19-6-7-19)27-23-10-8-20-17-18(5-9-21(20)23)11-12-29-13-15-30(16-14-29)25-22-3-1-2-4-24(22)32-28-25/h1-5,9,17,19,23H,6-8,10-16H2,(H,27,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50231437 (CHEMBL252230 | N-(5-(2-(4-(benzo[d]isothiazol-3-yl...) Show SMILES O=C(NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12)C1CC1 |w:3.2| Show InChI InChI=1S/C26H30N4OS/c31-26(19-6-7-19)27-23-10-8-20-17-18(5-9-21(20)23)11-12-29-13-15-30(16-14-29)25-22-3-1-2-4-24(22)32-28-25/h1-5,9,17,19,23H,6-8,10-16H2,(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	137	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