BindingDB logo
myBDB logout

BDBM260883 US9540323, 71::US9540323, example 71

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

InChI Key: InChIKey=MPCPOMYVJMMZAB-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 = 260883   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Purinergic receptor P2Y1


(Homo sapiens (Human))		BDBM260883
PNG
(US9540323, 71 | US9540323, example 71)
Show SMILES CCC1(CC)CN(c2c1c(C)ccc2O)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C27H28F3N3O3/c1-4-26(5-2)16-33(24-22(34)15-10-17(3)23(24)26)21-9-7-6-8-20(21)32-25(35)31-18-11-13-19(14-12-18)36-27(28,29)30/h6-15,34H,4-5,16H2,1-3H3,(H2,31,32,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 6.80 -11.1n/an/an/an/an/a7.425



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