BDBM50075623 6-{3-[1-benzylamino-2-cyano-(E)-1-iminomethylamino]phenyl}-6-(3-pyridyl)-(E)-5-hexenoic acid::CHEMBL440096
SMILES: OC(=O)CCCC=C(c1cccnc1)c1cccc(NC(NCc2ccccc2)=NC#N)c1
InChI Key: InChIKey=KEKQERHYRPEXLS-UHFFFAOYSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Thromboxane A2 Synthase (P450 TxA2) (Homo sapiens (Human)) | BDBM50075623 (6-{3-[1-benzylamino-2-cyano-(E)-1-iminomethylamino...) | KEGG UniProtKB/SwissProt DrugBank 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 |
Boehringer Ingelheim Pharma KG Curated by ChEMBL | Assay Description In vitro activity on thromboxane A2 synthase inhibition in gel filtered human platelets. | J Med Chem 42: 1235-49 (1999) Article DOI: 10.1021/jm9707941 BindingDB Entry DOI: 10.7270/Q2H41QMS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostanoid TP receptor (Homo sapiens (Human)) | BDBM50075623 (6-{3-[1-benzylamino-2-cyano-(E)-1-iminomethylamino...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma KG Curated by ChEMBL | Assay Description In vitro activity on thromboxane A2 receptor antagonism in gel filtered human platelets. | J Med Chem 42: 1235-49 (1999) Article DOI: 10.1021/jm9707941 BindingDB Entry DOI: 10.7270/Q2H41QMS | |||||||||||
More data for this Ligand-Target Pair |