Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2B' and Ligand = 'BDBM50249180'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50249180 (5-((4-(6-chlorothieno[2,3-d]pyrimidin-4-ylamino)pi...) Show SMILES Fc1ccc(CN2CCC(CC2)Nc2ncnc3sc(Cl)cc23)cc1C#N Show InChI InChI=1S/C19H17ClFN5S/c20-17-8-15-18(23-11-24-19(15)27-17)25-14-3-5-26(6-4-14)10-12-1-2-16(21)13(7-12)9-22/h1-2,7-8,11,14H,3-6,10H2,(H,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science & Technology (UST) Curated by ChEMBL					Assay Description Inhibition of 5-HT2B receptor (unknown origin)				Bioorg Med Chem 27: 1159-1194 (2019) Article DOI: 10.1016/j.bmc.2019.02.044 BindingDB Entry DOI: 10.7270/Q28055X5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50249180 (5-((4-(6-chlorothieno[2,3-d]pyrimidin-4-ylamino)pi...) Show SMILES Fc1ccc(CN2CCC(CC2)Nc2ncnc3sc(Cl)cc23)cc1C#N Show InChI InChI=1S/C19H17ClFN5S/c20-17-8-15-18(23-11-24-19(15)27-17)25-14-3-5-26(6-4-14)10-12-1-2-16(21)13(7-12)9-22/h1-2,7-8,11,14H,3-6,10H2,(H,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceutical Curated by ChEMBL					Assay Description Antagonist activity at 5-HT2B receptor (unknown origin) expressed in CHOK1 cells assessed as inhibition of serotonin-induced intracellular Ca2+ flux ...				Bioorg Med Chem Lett 19: 2206-10 (2009) Article DOI: 10.1016/j.bmcl.2009.02.126 BindingDB Entry DOI: 10.7270/Q20Z735D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50249180 (5-((4-(6-chlorothieno[2,3-d]pyrimidin-4-ylamino)pi...) Show SMILES Fc1ccc(CN2CCC(CC2)Nc2ncnc3sc(Cl)cc23)cc1C#N Show InChI InChI=1S/C19H17ClFN5S/c20-17-8-15-18(23-11-24-19(15)27-17)25-14-3-5-26(6-4-14)10-12-1-2-16(21)13(7-12)9-22/h1-2,7-8,11,14H,3-6,10H2,(H,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceutical Curated by ChEMBL					Assay Description Antagonist activity at 5-HT2B receptor (unknown origin) expressed in CHOK1 cells assessed as inhibition of serotonin-induced intracellular Ca2+ flux ...				Bioorg Med Chem Lett 19: 2206-10 (2009) Article DOI: 10.1016/j.bmcl.2009.02.126 BindingDB Entry DOI: 10.7270/Q20Z735D
					More data for this Ligand-Target Pair