BDBM50100195 CHEMBL3325805

SMILES: CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN4CCN(C)C(=O)C4C3)c3ccc(Cl)cc23)cc1

InChI Key: InChIKey=QFIIXHNSRPKHPY-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50100195   

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 P2Y12 (Homo sapiens (Human))	BDBM50100195 (CHEMBL3325805) Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN4CCN(C)C(=O)C4C3)c3ccc(Cl)cc23)cc1 Show InChI InChI=1S/C33H36ClN7O4/c1-4-5-30(42)26-17-35-41(21(26)2)24-9-7-23(8-10-24)36-32(44)27-18-40(28-11-6-22(34)16-25(27)28)20-31(43)39-15-14-38-13-12-37(3)33(45)29(38)19-39/h6-11,16-18,29H,4-5,12-15,19-20H2,1-3H3,(H,36,44)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	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
Purinergic receptor P2Y12 (Homo sapiens (Human))	BDBM50100195 (CHEMBL3325805) Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN4CCN(C)C(=O)C4C3)c3ccc(Cl)cc23)cc1 Show InChI InChI=1S/C33H36ClN7O4/c1-4-5-30(42)26-17-35-41(21(26)2)24-9-7-23(8-10-24)36-32(44)27-18-40(28-11-6-22(34)16-25(27)28)20-31(43)39-15-14-38-13-12-37(3)33(45)29(38)19-39/h6-11,16-18,29H,4-5,12-15,19-20H2,1-3H3,(H,36,44)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	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
Purinergic receptor P2Y12 (Homo sapiens (Human))	BDBM50100195 (CHEMBL3325805) Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN4CCN(C)C(=O)C4C3)c3ccc(Cl)cc23)cc1 Show InChI InChI=1S/C33H36ClN7O4/c1-4-5-30(42)26-17-35-41(21(26)2)24-9-7-23(8-10-24)36-32(44)27-18-40(28-11-6-22(34)16-25(27)28)20-31(43)39-15-14-38-13-12-37(3)33(45)29(38)19-39/h6-11,16-18,29H,4-5,12-15,19-20H2,1-3H3,(H,36,44)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	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
Purinergic receptor P2Y12 (Rattus norvegicus)	BDBM50100195 (CHEMBL3325805) Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN4CCN(C)C(=O)C4C3)c3ccc(Cl)cc23)cc1 Show InChI InChI=1S/C33H36ClN7O4/c1-4-5-30(42)26-17-35-41(21(26)2)24-9-7-23(8-10-24)36-32(44)27-18-40(28-11-6-22(34)16-25(27)28)20-31(43)39-15-14-38-13-12-37(3)33(45)29(38)19-39/h6-11,16-18,29H,4-5,12-15,19-20H2,1-3H3,(H,36,44)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	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
Purinergic receptor P2Y12 (Homo sapiens (Human))	BDBM50100195 (CHEMBL3325805) Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN4CCN(C)C(=O)C4C3)c3ccc(Cl)cc23)cc1 Show InChI InChI=1S/C33H36ClN7O4/c1-4-5-30(42)26-17-35-41(21(26)2)24-9-7-23(8-10-24)36-32(44)27-18-40(28-11-6-22(34)16-25(27)28)20-31(43)39-15-14-38-13-12-37(3)33(45)29(38)19-39/h6-11,16-18,29H,4-5,12-15,19-20H2,1-3H3,(H,36,44)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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 human 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
Purinergic receptor P2Y12 (Homo sapiens (Human))	BDBM50100195 (CHEMBL3325805) Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN4CCN(C)C(=O)C4C3)c3ccc(Cl)cc23)cc1 Show InChI InChI=1S/C33H36ClN7O4/c1-4-5-30(42)26-17-35-41(21(26)2)24-9-7-23(8-10-24)36-32(44)27-18-40(28-11-6-22(34)16-25(27)28)20-31(43)39-15-14-38-13-12-37(3)33(45)29(38)19-39/h6-11,16-18,29H,4-5,12-15,19-20H2,1-3H3,(H,36,44)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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 human 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
Purinergic receptor P2Y12 (Rattus norvegicus)	BDBM50100195 (CHEMBL3325805) Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN4CCN(C)C(=O)C4C3)c3ccc(Cl)cc23)cc1 Show InChI InChI=1S/C33H36ClN7O4/c1-4-5-30(42)26-17-35-41(21(26)2)24-9-7-23(8-10-24)36-32(44)27-18-40(28-11-6-22(34)16-25(27)28)20-31(43)39-15-14-38-13-12-37(3)33(45)29(38)19-39/h6-11,16-18,29H,4-5,12-15,19-20H2,1-3H3,(H,36,44)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	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
Purinergic receptor P2Y12 (Homo sapiens (Human))	BDBM50100195 (CHEMBL3325805) Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN4CCN(C)C(=O)C4C3)c3ccc(Cl)cc23)cc1 Show InChI InChI=1S/C33H36ClN7O4/c1-4-5-30(42)26-17-35-41(21(26)2)24-9-7-23(8-10-24)36-32(44)27-18-40(28-11-6-22(34)16-25(27)28)20-31(43)39-15-14-38-13-12-37(3)33(45)29(38)19-39/h6-11,16-18,29H,4-5,12-15,19-20H2,1-3H3,(H,36,44)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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 human 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