BDBM50445206 CHEMBL3105195

SMILES: CC(C)(C)CN1CCC2(CN(c3cnccc23)c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1

InChI Key: InChIKey=IUSRBIIIVXBAOM-UHFFFAOYSA-N

Data: 1 KI  2 IC50

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 3 hits for monomerid = 50445206   

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))	BDBM50445206 (CHEMBL3105195) Show SMILES CC(C)(C)CN1CCC2(CN(c3cnccc23)c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 Show InChI InChI=1S/C30H34F3N5O2/c1-28(2,3)19-37-16-13-29(14-17-37)20-38(26-18-34-15-12-23(26)29)25-7-5-4-6-24(25)36-27(39)35-21-8-10-22(11-9-21)40-30(31,32)33/h4-12,15,18H,13-14,16-17,19-20H2,1-3H3,(H2,35,36,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis				J Med Chem 56: 9275-95 (2013) Article DOI: 10.1021/jm4013906 BindingDB Entry DOI: 10.7270/Q2KW5HHP
					More data for this Ligand-Target Pair
Purinergic receptor P2Y1 (Homo sapiens (Human))	BDBM50445206 (CHEMBL3105195) Show SMILES CC(C)(C)CN1CCC2(CN(c3cnccc23)c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 Show InChI InChI=1S/C30H34F3N5O2/c1-28(2,3)19-37-16-13-29(14-17-37)20-38(26-18-34-15-12-23(26)29)25-7-5-4-6-24(25)36-27(39)35-21-8-10-22(11-9-21)40-30(31,32)33/h4-12,15,18H,13-14,16-17,19-20H2,1-3H3,(H2,35,36,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity at P2Y1 receptor in platelet-enriched human plasma assessed as 10 uM ADP-induced platelet aggregation preincubated for 1 min foll...				J Med Chem 56: 9275-95 (2013) Article DOI: 10.1021/jm4013906 BindingDB Entry DOI: 10.7270/Q2KW5HHP
					More data for this Ligand-Target Pair
Purinergic receptor P2Y1 (Homo sapiens (Human))	BDBM50445206 (CHEMBL3105195) Show SMILES CC(C)(C)CN1CCC2(CN(c3cnccc23)c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 Show InChI InChI=1S/C30H34F3N5O2/c1-28(2,3)19-37-16-13-29(14-17-37)20-38(26-18-34-15-12-23(26)29)25-7-5-4-6-24(25)36-27(39)35-21-8-10-22(11-9-21)40-30(31,32)33/h4-12,15,18H,13-14,16-17,19-20H2,1-3H3,(H2,35,36,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity at P2Y1 receptor in washed human platelets assessed as 1 uM 2-methylthio-ADP-induced calcium flux by FLIPR assay				J Med Chem 56: 9275-95 (2013) Article DOI: 10.1021/jm4013906 BindingDB Entry DOI: 10.7270/Q2KW5HHP
					More data for this Ligand-Target Pair