BDBM50436906 CHEMBL2401857

SMILES: CC(C)(C)c1ccccc1Oc1ncccc1Nc1nc(c(s1)-c1ccccc1F)C(F)(F)F

InChI Key: InChIKey=OIULJASWIDBWMH-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 = 50436906   

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 P2Y1 (Homo sapiens (Human))	BDBM50436906 (CHEMBL2401857) Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1Nc1nc(c(s1)-c1ccccc1F)C(F)(F)F Show InChI InChI=1S/C25H21F4N3OS/c1-24(2,3)16-10-5-7-13-19(16)33-22-18(12-8-14-30-22)31-23-32-21(25(27,28)29)20(34-23)15-9-4-6-11-17(15)26/h4-14H,1-3H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem Lett 23: 4206-9 (2013) Article DOI: 10.1016/j.bmcl.2013.05.025 BindingDB Entry DOI: 10.7270/Q26M388Q
					More data for this Ligand-Target Pair
Purinergic receptor P2Y1 (Homo sapiens (Human))	BDBM50436906 (CHEMBL2401857) Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1Nc1nc(c(s1)-c1ccccc1F)C(F)(F)F Show InChI InChI=1S/C25H21F4N3OS/c1-24(2,3)16-10-5-7-13-19(16)33-22-18(12-8-14-30-22)31-23-32-21(25(27,28)29)20(34-23)15-9-4-6-11-17(15)26/h4-14H,1-3H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [beta-33P]-2MeS-ADP from human P2Y1 expressed in HEK293 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem Lett 23: 4026-30 (2013) Article DOI: 10.1016/j.bmcl.2013.05.087 BindingDB Entry DOI: 10.7270/Q2D50PC8
					More data for this Ligand-Target Pair