BDBM50302450 CHEMBL585317::biphenyl-4-yl(4-(6-ethyl-2-(3-hydroxypropylamino)thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl)methanone

SMILES: CCc1cc2c(nc(NCCCO)nc2s1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=ODBHJHKECUFQQM-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 = 50302450   

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
Purinergic receptor P2Y12 (Homo sapiens (Human))	BDBM50302450 (CHEMBL585317 | biphenyl-4-yl(4-(6-ethyl-2-(3-hydro...) Show SMILES CCc1cc2c(nc(NCCCO)nc2s1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C28H31N5O2S/c1-2-23-19-24-25(30-28(29-13-6-18-34)31-26(24)36-23)32-14-16-33(17-15-32)27(35)22-11-9-21(10-12-22)20-7-4-3-5-8-20/h3-5,7-12,19,34H,2,6,13-18H2,1H3,(H,29,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane				Bioorg Med Chem Lett 19: 5919-23 (2009) Article DOI: 10.1016/j.bmcl.2009.08.059 BindingDB Entry DOI: 10.7270/Q2GT5N8K
					More data for this Ligand-Target Pair
Purinergic receptor P2Y12 (Homo sapiens (Human))	BDBM50302450 (CHEMBL585317 | biphenyl-4-yl(4-(6-ethyl-2-(3-hydro...) Show SMILES CCc1cc2c(nc(NCCCO)nc2s1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C28H31N5O2S/c1-2-23-19-24-25(30-28(29-13-6-18-34)31-26(24)36-23)32-14-16-33(17-15-32)27(35)22-11-9-21(10-12-22)20-7-4-3-5-8-20/h3-5,7-12,19,34H,2,6,13-18H2,1H3,(H,29,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	441	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGP				Bioorg Med Chem Lett 19: 5919-23 (2009) Article DOI: 10.1016/j.bmcl.2009.08.059 BindingDB Entry DOI: 10.7270/Q2GT5N8K
					More data for this Ligand-Target Pair