BDBM260932 US9540323, 124::US9540323, example 124

SMILES: CC1(C)CN(c2c1c(ccc2O)-c1nccs1)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1

InChI Key: InChIKey=HMNCBIVVGKWVNQ-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 260932   

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))	BDBM260932 (US9540323, 124 | US9540323, example 124) Show SMILES CC1(C)CN(c2c1c(ccc2O)-c1nccs1)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C27H23F3N4O3S/c1-26(2)15-34(23-21(35)12-11-18(22(23)26)24-31-13-14-38-24)20-6-4-3-5-19(20)33-25(36)32-16-7-9-17(10-8-16)37-27(28,29)30/h3-14,35H,15H2,1-2H3,(H2,32,33,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.40	-11.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q289141P
					More data for this Ligand-Target Pair