BDBM50055844 CHEMBL3325786

SMILES: [H][C@]12CN(C(=O)Cn3cc(C(=O)Nc4ccc(cc4)-n4ncc(C(=O)CCC)c4C)c4cc(C)ccc34)[C@]([H])(CN1)C2

InChI Key: InChIKey=WSUHRCFIXFAZFR-UPVQGACJSA-N

Data: 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 2 hits for monomerid = 50055844   

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
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50055844 (CHEMBL3325786) Show SMILES [H][C@]12CN(C(=O)Cn3cc(C(=O)Nc4ccc(cc4)-n4ncc(C(=O)CCC)c4C)c4cc(C)ccc34)[C@]([H])(CN1)C2 |r| Show InChI InChI=1S/C31H34N6O3/c1-4-5-29(38)26-15-33-37(20(26)3)23-9-7-21(8-10-23)34-31(40)27-17-35(28-11-6-19(2)12-25(27)28)18-30(39)36-16-22-13-24(36)14-32-22/h6-12,15,17,22,24,32H,4-5,13-14,16,18H2,1-3H3,(H,34,40)/t22-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi R&D Curated by ChEMBL					Assay Description Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis				J Med Chem 57: 7293-316 (2014) Article DOI: 10.1021/jm500588w BindingDB Entry DOI: 10.7270/Q2D79D21
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Rattus norvegicus)	BDBM50055844 (CHEMBL3325786) Show SMILES [H][C@]12CN(C(=O)Cn3cc(C(=O)Nc4ccc(cc4)-n4ncc(C(=O)CCC)c4C)c4cc(C)ccc34)[C@]([H])(CN1)C2 |r| Show InChI InChI=1S/C31H34N6O3/c1-4-5-29(38)26-15-33-37(20(26)3)23-9-7-21(8-10-23)34-31(40)27-17-35(28-11-6-19(2)12-25(27)28)18-30(39)36-16-22-13-24(36)14-32-22/h6-12,15,17,22,24,32H,4-5,13-14,16,18H2,1-3H3,(H,34,40)/t22-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi R&D Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation				J Med Chem 57: 7293-316 (2014) Article DOI: 10.1021/jm500588w BindingDB Entry DOI: 10.7270/Q2D79D21
					More data for this Ligand-Target Pair