BDBM50175462 3-{2-[4-(3,5-dichloro-2-methoxy-phenyl)-piperazin-1-yl]-ethyl}-7-methyl-5,6,7,8-tetrahydro-3H-pyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-one::CHEMBL197445

SMILES: COc1c(Cl)cc(Cl)cc1N1CCN(CCn2cnc3sc4CN(C)CCc4c3c2=O)CC1

InChI Key: InChIKey=XBAATZNHXISDKX-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50175462   

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 1B (Homo sapiens (Human))	BDBM50175462 (3-{2-[4-(3,5-dichloro-2-methoxy-phenyl)-piperazin-...) Show SMILES COc1c(Cl)cc(Cl)cc1N1CCN(CCn2cnc3sc4CN(C)CCc4c3c2=O)CC1 Show InChI InChI=1S/C23H27Cl2N5O2S/c1-27-4-3-16-19(13-27)33-22-20(16)23(31)30(14-26-22)10-7-28-5-8-29(9-6-28)18-12-15(24)11-17(25)21(18)32-2/h11-12,14H,3-10,13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant 5HT1B receptor co-expressed with G-protein chimera Gqo5 in HEK293 cells by FLIPR				Bioorg Med Chem Lett 15: 5567-73 (2005) Article DOI: 10.1016/j.bmcl.2005.04.077 BindingDB Entry DOI: 10.7270/Q2CR5SX4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50175462 (3-{2-[4-(3,5-dichloro-2-methoxy-phenyl)-piperazin-...) Show SMILES COc1c(Cl)cc(Cl)cc1N1CCN(CCn2cnc3sc4CN(C)CCc4c3c2=O)CC1 Show InChI InChI=1S/C23H27Cl2N5O2S/c1-27-4-3-16-19(13-27)33-22-20(16)23(31)30(14-26-22)10-7-28-5-8-29(9-6-28)18-12-15(24)11-17(25)21(18)32-2/h11-12,14H,3-10,13H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Displacement of [35S]GTPgammaS from human recombinant 5HT1A receptor				Bioorg Med Chem Lett 15: 5567-73 (2005) Article DOI: 10.1016/j.bmcl.2005.04.077 BindingDB Entry DOI: 10.7270/Q2CR5SX4
					More data for this Ligand-Target Pair