BDBM245280 US9428504, 18

SMILES: CC(C)(C)CN1CCC2(CN(c3c2c(ccc3O)C(F)(F)F)c2ccccc2NC(=O)Nc2csc(Cl)n2)CC1

InChI Key: InChIKey=NGDLTIXBDZIORA-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 = 245280   

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))	BDBM245280 (US9428504, 18) Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(ccc3O)C(F)(F)F)c2ccccc2NC(=O)Nc2csc(Cl)n2)CC1 Show InChI InChI=1S/C28H31ClF3N5O2S/c1-26(2,3)15-36-12-10-27(11-13-36)16-37(23-20(38)9-8-17(22(23)27)28(30,31)32)19-7-5-4-6-18(19)33-25(39)35-21-14-40-24(29)34-21/h4-9,14,38H,10-13,15-16H2,1-3H3,(H2,33,35,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.20	-11.2	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 US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
					More data for this Ligand-Target Pair