BDBM50439274 CHEMBL2419493
SMILES: CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccc(C)cc1
InChI Key: InChIKey=XSAIJRMURHASGT-UHFFFAOYSA-N
Data: 4 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50439274 (CHEMBL2419493) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of human recombinant CYP2C9 | J Med Chem 56: 7015-24 (2013) Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Purinergic receptor P2Y12 (Homo sapiens (Human)) | BDBM50439274 (CHEMBL2419493) | 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 |
AstraZeneca Curated by ChEMBL | Assay Description Displacement of [125I]-AZ11931285 from P2Y12 receptor (unknown origin) expressed in CHO cell membrane after 1 hr by scintillation counting analysis | J Med Chem 56: 7015-24 (2013) Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Purinergic receptor P2Y12 (Homo sapiens (Human)) | BDBM50439274 (CHEMBL2419493) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Antagonist activity at P2Y12 receptor (unknown origin) expressed in CHO cell membrane by [35S]GTPgammaS binding assay | J Med Chem 56: 7015-24 (2013) Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Purinergic receptor P2Y12 (Homo sapiens (Human)) | BDBM50439274 (CHEMBL2419493) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Antagonist activity at P2Y12 receptor in human whole blood assessed as inhibition of ADP-induced platelet aggregation after 5 mins by residual platel... | J Med Chem 56: 7015-24 (2013) Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV | |||||||||||
More data for this Ligand-Target Pair |