BDBM319608 3-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one::US10174011, Example 3

SMILES: Cc1nc2CCCCn2c(=O)c1CCN1CCN(CC1)c1cccc2sccc12

InChI Key: InChIKey=XMFRRROSDAWYLB-UHFFFAOYSA-N

Data: 8 IC50  2 EC50

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 10 hits for monomerid = 319608   

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 (Homo sapiens (Human))	BDBM319608 (3-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...) Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCN(CC1)c1cccc2sccc12 Show InChI InChI=1S/C23H28N4OS/c1-17-18(23(28)27-10-3-2-7-22(27)24-17)8-11-25-12-14-26(15-13-25)20-5-4-6-21-19(20)9-16-29-21/h4-6,9,16H,2-3,7-8,10-15H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	4.57	n/a	n/a	n/a	n/a
SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD. US Patent					Assay Description The 5-HT1A receptor agonism activity test (The agonism activity of test compounds on 5-HT1A receptor expressing human recombinant 5-HT1A receptor in ...				US Patent US10174011 (2019) BindingDB Entry DOI: 10.7270/Q2VH5QX7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM319608 (3-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...) Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCN(CC1)c1cccc2sccc12 Show InChI InChI=1S/C23H28N4OS/c1-17-18(23(28)27-10-3-2-7-22(27)24-17)8-11-25-12-14-26(15-13-25)20-5-4-6-21-19(20)9-16-29-21/h4-6,9,16H,2-3,7-8,10-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.61	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD. US Patent					Assay Description The D2 receptor antagonism activity test (The antagonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293...				US Patent US10174011 (2019) BindingDB Entry DOI: 10.7270/Q2VH5QX7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM319608 (3-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...) Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCN(CC1)c1cccc2sccc12 Show InChI InChI=1S/C23H28N4OS/c1-17-18(23(28)27-10-3-2-7-22(27)24-17)8-11-25-12-14-26(15-13-25)20-5-4-6-21-19(20)9-16-29-21/h4-6,9,16H,2-3,7-8,10-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15.1	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD. US Patent					Assay Description The 5-HT2A receptor antagonism activity test (The antagonism activity of test compounds on 5-HT2A receptor expressing human recombinant 5-HT2A recept...				US Patent US10174011 (2019) BindingDB Entry DOI: 10.7270/Q2VH5QX7
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM319608 (3-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...) Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCN(CC1)c1cccc2sccc12 Show InChI InChI=1S/C23H28N4OS/c1-17-18(23(28)27-10-3-2-7-22(27)24-17)8-11-25-12-14-26(15-13-25)20-5-4-6-21-19(20)9-16-29-21/h4-6,9,16H,2-3,7-8,10-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	127	n/a	n/a	n/a	n/a	n/a	n/a
Xinjiang Technical Institute of Physics and Chemistry Curated by ChEMBL					Assay Description Antagonist activity at histamine H1 receptor (unknown origin) after 10 mins by calcium 5 dye based FLIPR assay				Bioorg Med Chem 25: 4904-4916 (2017) Article DOI: 10.1016/j.bmc.2017.07.040 BindingDB Entry DOI: 10.7270/Q2Z3222T
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM319608 (3-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...) Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCN(CC1)c1cccc2sccc12 Show InChI InChI=1S/C23H28N4OS/c1-17-18(23(28)27-10-3-2-7-22(27)24-17)8-11-25-12-14-26(15-13-25)20-5-4-6-21-19(20)9-16-29-21/h4-6,9,16H,2-3,7-8,10-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
Xinjiang Technical Institute of Physics and Chemistry Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem 25: 4904-4916 (2017) Article DOI: 10.1016/j.bmc.2017.07.040 BindingDB Entry DOI: 10.7270/Q2Z3222T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM319608 (3-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...) Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCN(CC1)c1cccc2sccc12 Show InChI InChI=1S/C23H28N4OS/c1-17-18(23(28)27-10-3-2-7-22(27)24-17)8-11-25-12-14-26(15-13-25)20-5-4-6-21-19(20)9-16-29-21/h4-6,9,16H,2-3,7-8,10-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Xinjiang Technical Institute of Physics and Chemistry Curated by ChEMBL					Assay Description Antagonist activity at 5-HT2A receptor (unknown origin) after 10 mins by calcium 5 dye based FLIPR assay				Bioorg Med Chem 25: 4904-4916 (2017) Article DOI: 10.1016/j.bmc.2017.07.040 BindingDB Entry DOI: 10.7270/Q2Z3222T
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM319608 (3-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...) Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCN(CC1)c1cccc2sccc12 Show InChI InChI=1S/C23H28N4OS/c1-17-18(23(28)27-10-3-2-7-22(27)24-17)8-11-25-12-14-26(15-13-25)20-5-4-6-21-19(20)9-16-29-21/h4-6,9,16H,2-3,7-8,10-15H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	156	n/a	n/a	n/a	n/a	n/a	n/a
Xinjiang Technical Institute of Physics and Chemistry Curated by ChEMBL					Assay Description Antagonist activity at adrenergic alpha1A receptor (unknown origin) after 10 mins by calcium 5 dye based FLIPR assay				Bioorg Med Chem 25: 4904-4916 (2017) Article DOI: 10.1016/j.bmc.2017.07.040 BindingDB Entry DOI: 10.7270/Q2Z3222T
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM319608 (3-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...) Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCN(CC1)c1cccc2sccc12 Show InChI InChI=1S/C23H28N4OS/c1-17-18(23(28)27-10-3-2-7-22(27)24-17)8-11-25-12-14-26(15-13-25)20-5-4-6-21-19(20)9-16-29-21/h4-6,9,16H,2-3,7-8,10-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Xinjiang Technical Institute of Physics and Chemistry Curated by ChEMBL					Assay Description Antagonist activity at dopamine D2 receptor (unknown origin) after 60 mins by Ultra lance cAMP assay				Bioorg Med Chem 25: 4904-4916 (2017) Article DOI: 10.1016/j.bmc.2017.07.040 BindingDB Entry DOI: 10.7270/Q2Z3222T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM319608 (3-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...) Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCN(CC1)c1cccc2sccc12 Show InChI InChI=1S/C23H28N4OS/c1-17-18(23(28)27-10-3-2-7-22(27)24-17)8-11-25-12-14-26(15-13-25)20-5-4-6-21-19(20)9-16-29-21/h4-6,9,16H,2-3,7-8,10-15H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.60	n/a	n/a	n/a	n/a
Xinjiang Technical Institute of Physics and Chemistry Curated by ChEMBL					Assay Description Agonist activity at 5-HT1A receptor (unknown origin) after 60 mins by Ultra lance cAMP assay				Bioorg Med Chem 25: 4904-4916 (2017) Article DOI: 10.1016/j.bmc.2017.07.040 BindingDB Entry DOI: 10.7270/Q2Z3222T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM319608 (3-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...) Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCN(CC1)c1cccc2sccc12 Show InChI InChI=1S/C23H28N4OS/c1-17-18(23(28)27-10-3-2-7-22(27)24-17)8-11-25-12-14-26(15-13-25)20-5-4-6-21-19(20)9-16-29-21/h4-6,9,16H,2-3,7-8,10-15H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Xinjiang Technical Institute of Physics and Chemistry Curated by ChEMBL					Assay Description Antagonist activity at 5-HT2C receptor (unknown origin) after 10 mins by calcium 5 dye based FLIPR assay				Bioorg Med Chem 25: 4904-4916 (2017) Article DOI: 10.1016/j.bmc.2017.07.040 BindingDB Entry DOI: 10.7270/Q2Z3222T
					More data for this Ligand-Target Pair