BDBM50099324 3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-1-methyl-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione::CHEMBL14213

SMILES: COc1ccccc1N1CCN(CCn2c(=O)n(C)c3scc(-c4ccccc4)c3c2=O)CC1

InChI Key: InChIKey=BEJGRQHTUSMJBJ-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 = 50099324   

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
Cerebral cortex alpha adrenergic receptor (CALF)	BDBM50099324 (3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...) Show SMILES COc1ccccc1N1CCN(CCn2c(=O)n(C)c3scc(-c4ccccc4)c3c2=O)CC1 Show InChI InChI=1S/C26H28N4O3S/c1-27-25-23(20(18-34-25)19-8-4-3-5-9-19)24(31)30(26(27)32)17-14-28-12-15-29(16-13-28)21-10-6-7-11-22(21)33-2/h3-11,18H,12-17H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.436	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards bovine Alpha-1A adrenergic receptor				Bioorg Med Chem Lett 11: 1119-21 (2001) BindingDB Entry DOI: 10.7270/Q20V8DBQ
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50099324 (3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...) Show SMILES COc1ccccc1N1CCN(CCn2c(=O)n(C)c3scc(-c4ccccc4)c3c2=O)CC1 Show InChI InChI=1S/C26H28N4O3S/c1-27-25-23(20(18-34-25)19-8-4-3-5-9-19)24(31)30(26(27)32)17-14-28-12-15-29(16-13-28)21-10-6-7-11-22(21)33-2/h3-11,18H,12-17H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards rat Alpha-1D adrenergic receptor				Bioorg Med Chem Lett 11: 1119-21 (2001) BindingDB Entry DOI: 10.7270/Q20V8DBQ
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50099324 (3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...) Show SMILES COc1ccccc1N1CCN(CCn2c(=O)n(C)c3scc(-c4ccccc4)c3c2=O)CC1 Show InChI InChI=1S/C26H28N4O3S/c1-27-25-23(20(18-34-25)19-8-4-3-5-9-19)24(31)30(26(27)32)17-14-28-12-15-29(16-13-28)21-10-6-7-11-22(21)33-2/h3-11,18H,12-17H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards rat Alpha-1A adrenergic receptor				Bioorg Med Chem Lett 11: 1119-21 (2001) BindingDB Entry DOI: 10.7270/Q20V8DBQ
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50099324 (3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...) Show SMILES COc1ccccc1N1CCN(CCn2c(=O)n(C)c3scc(-c4ccccc4)c3c2=O)CC1 Show InChI InChI=1S/C26H28N4O3S/c1-27-25-23(20(18-34-25)19-8-4-3-5-9-19)24(31)30(26(27)32)17-14-28-12-15-29(16-13-28)21-10-6-7-11-22(21)33-2/h3-11,18H,12-17H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity for human Alpha-1A adrenergic receptor				Bioorg Med Chem Lett 11: 1119-21 (2001) BindingDB Entry DOI: 10.7270/Q20V8DBQ
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50099324 (3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...) Show SMILES COc1ccccc1N1CCN(CCn2c(=O)n(C)c3scc(-c4ccccc4)c3c2=O)CC1 Show InChI InChI=1S/C26H28N4O3S/c1-27-25-23(20(18-34-25)19-8-4-3-5-9-19)24(31)30(26(27)32)17-14-28-12-15-29(16-13-28)21-10-6-7-11-22(21)33-2/h3-11,18H,12-17H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human Alpha-1B adrenergic receptor				Bioorg Med Chem Lett 11: 1119-21 (2001) BindingDB Entry DOI: 10.7270/Q20V8DBQ
					More data for this Ligand-Target Pair