BDBM50056378 3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propylsulfanyl}-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one::CHEMBL12028

SMILES: COc1ccccc1N1CCN(CCCSc2nc3sc(C)c(C)c3c(=O)n2N)CC1

InChI Key: InChIKey=ZDQFLGSBTLYBIX-UHFFFAOYSA-N

Data: 2 KI  7 IC50

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 9 hits for monomerid = 50056378   

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))	BDBM50056378 (3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]...) Show SMILES COc1ccccc1N1CCN(CCCSc2nc3sc(C)c(C)c3c(=O)n2N)CC1 Show InChI InChI=1S/C22H29N5O2S2/c1-15-16(2)31-20-19(15)21(28)27(23)22(24-20)30-14-6-9-25-10-12-26(13-11-25)17-7-4-5-8-18(17)29-3/h4-5,7-8H,6,9-14,23H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Catania Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat hippocampus membranes				Bioorg Med Chem Lett 10: 1089-92 (2000) BindingDB Entry DOI: 10.7270/Q25D8R2B
					More data for this Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50056378 (3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]...) Show SMILES COc1ccccc1N1CCN(CCCSc2nc3sc(C)c(C)c3c(=O)n2N)CC1 Show InChI InChI=1S/C22H29N5O2S2/c1-15-16(2)31-20-19(15)21(28)27(23)22(24-20)30-14-6-9-25-10-12-26(13-11-25)17-7-4-5-8-18(17)29-3/h4-5,7-8H,6,9-14,23H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Catania Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from Alpha-1 adrenergic receptor of rat cortex membranes				Bioorg Med Chem Lett 10: 1089-92 (2000) BindingDB Entry DOI: 10.7270/Q25D8R2B
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50056378 (3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]...) Show SMILES COc1ccccc1N1CCN(CCCSc2nc3sc(C)c(C)c3c(=O)n2N)CC1 Show InChI InChI=1S/C22H29N5O2S2/c1-15-16(2)31-20-19(15)21(28)27(23)22(24-20)30-14-6-9-25-10-12-26(13-11-25)17-7-4-5-8-18(17)29-3/h4-5,7-8H,6,9-14,23H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Università di Catania Curated by ChEMBL					Assay Description In vitro inhibitory concentration of the compound against radioligand [3H]-ketanserin binding to 5-hydroxytryptamine 2A receptor in rat cortical memb...				J Med Chem 40: 574-85 (1997) Article DOI: 10.1021/jm950866t BindingDB Entry DOI: 10.7270/Q2K64H6C
					More data for this Ligand-Target Pair
Serotonin 1B/1D receptor (Rattus norvegicus (Rat))	BDBM50056378 (3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]...) Show SMILES COc1ccccc1N1CCN(CCCSc2nc3sc(C)c(C)c3c(=O)n2N)CC1 Show InChI InChI=1S/C22H29N5O2S2/c1-15-16(2)31-20-19(15)21(28)27(23)22(24-20)30-14-6-9-25-10-12-26(13-11-25)17-7-4-5-8-18(17)29-3/h4-5,7-8H,6,9-14,23H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Università di Catania Curated by ChEMBL					Assay Description In vitro inhibitory concentration of the compound against radioligand [3H]-5-HT binding to 5-hydroxytryptamine 1B receptor in rat striatal membrane				J Med Chem 40: 574-85 (1997) Article DOI: 10.1021/jm950866t BindingDB Entry DOI: 10.7270/Q2K64H6C
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50056378 (3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]...) Show SMILES COc1ccccc1N1CCN(CCCSc2nc3sc(C)c(C)c3c(=O)n2N)CC1 Show InChI InChI=1S/C22H29N5O2S2/c1-15-16(2)31-20-19(15)21(28)27(23)22(24-20)30-14-6-9-25-10-12-26(13-11-25)17-7-4-5-8-18(17)29-3/h4-5,7-8H,6,9-14,23H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Università di Catania Curated by ChEMBL					Assay Description In vitro inhibitory concentration of the compound against radioligand [3H]-spiperone binding to Dopamine receptor D2 in rat striatal membrane				J Med Chem 40: 574-85 (1997) Article DOI: 10.1021/jm950866t BindingDB Entry DOI: 10.7270/Q2K64H6C
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50056378 (3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]...) Show SMILES COc1ccccc1N1CCN(CCCSc2nc3sc(C)c(C)c3c(=O)n2N)CC1 Show InChI InChI=1S/C22H29N5O2S2/c1-15-16(2)31-20-19(15)21(28)27(23)22(24-20)30-14-6-9-25-10-12-26(13-11-25)17-7-4-5-8-18(17)29-3/h4-5,7-8H,6,9-14,23H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Università di Catania Curated by ChEMBL					Assay Description In vitro inhibitory concentration of the compound against radioligand [3H]-SCH-23,390 binding to Dopamine receptor D1 in rat striatal membrane				J Med Chem 40: 574-85 (1997) Article DOI: 10.1021/jm950866t BindingDB Entry DOI: 10.7270/Q2K64H6C
					More data for this Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor (Rattus norvegicus-RAT)	BDBM50056378 (3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]...) Show SMILES COc1ccccc1N1CCN(CCCSc2nc3sc(C)c(C)c3c(=O)n2N)CC1 Show InChI InChI=1S/C22H29N5O2S2/c1-15-16(2)31-20-19(15)21(28)27(23)22(24-20)30-14-6-9-25-10-12-26(13-11-25)17-7-4-5-8-18(17)29-3/h4-5,7-8H,6,9-14,23H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Università di Catania Curated by ChEMBL					Assay Description In vitro inhibitory concentration of the compound against radioligand [3H]-BRL-43694 binding to 5-hydroxytryptamine 3 receptor in rat cortical membra...				J Med Chem 40: 574-85 (1997) Article DOI: 10.1021/jm950866t BindingDB Entry DOI: 10.7270/Q2K64H6C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50056378 (3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]...) Show SMILES COc1ccccc1N1CCN(CCCSc2nc3sc(C)c(C)c3c(=O)n2N)CC1 Show InChI InChI=1S/C22H29N5O2S2/c1-15-16(2)31-20-19(15)21(28)27(23)22(24-20)30-14-6-9-25-10-12-26(13-11-25)17-7-4-5-8-18(17)29-3/h4-5,7-8H,6,9-14,23H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Università di Catania Curated by ChEMBL					Assay Description In vitro inhibitory concentration against radioligand [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat hippocampal membrane.				J Med Chem 40: 574-85 (1997) Article DOI: 10.1021/jm950866t BindingDB Entry DOI: 10.7270/Q2K64H6C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50056378 (3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]...) Show SMILES COc1ccccc1N1CCN(CCCSc2nc3sc(C)c(C)c3c(=O)n2N)CC1 Show InChI InChI=1S/C22H29N5O2S2/c1-15-16(2)31-20-19(15)21(28)27(23)22(24-20)30-14-6-9-25-10-12-26(13-11-25)17-7-4-5-8-18(17)29-3/h4-5,7-8H,6,9-14,23H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Università di Catania Curated by ChEMBL					Assay Description In vitro inhibitory concentration of the compound against radioligand [3H]-mesulergine binding to 5-hydroxytryptamine 2C receptor in pig cortical mem...				J Med Chem 40: 574-85 (1997) Article DOI: 10.1021/jm950866t BindingDB Entry DOI: 10.7270/Q2K64H6C
					More data for this Ligand-Target Pair