BDBM260818 US9540323, 4::US9540323, example 4

SMILES: CCC1(CC)CN(c2c1c(F)ccc2O)c1ccccc1NC(=O)Nc1ccc(cc1)C1CCN(CC(C)(C)C)CC1

InChI Key: InChIKey=OXJHKQRFAGZDCJ-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 = 260818   

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))	BDBM260818 (US9540323, 4 | US9540323, example 4) Show SMILES CCC1(CC)CN(c2c1c(F)ccc2O)c1ccccc1NC(=O)Nc1ccc(cc1)C1CCN(CC(C)(C)C)CC1 Show InChI InChI=1S/C35H45FN4O2/c1-6-35(7-2)23-40(32-30(41)17-16-27(36)31(32)35)29-11-9-8-10-28(29)38-33(42)37-26-14-12-24(13-15-26)25-18-20-39(21-19-25)22-34(3,4)5/h8-17,25,41H,6-7,18-23H2,1-5H3,(H2,37,38,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.60	-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 US9540323 (2017) BindingDB Entry DOI: 10.7270/Q289141P
					More data for this Ligand-Target Pair