BDBM50075629 6-{3-[2-cyano-1-isopropylamino-(E)-1-iminomethylamino]phenyl}-6-(3-pyridyl)-(E)-5-hexenoic acid::CHEMBL22721

SMILES: CC(C)NC(Nc1cccc(c1)C(=CCCCC(O)=O)c1cccnc1)=NC#N

InChI Key: InChIKey=QOIVFTOIMRANMQ-UHFFFAOYSA-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 = 50075629   

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
Prostanoid TP receptor (Homo sapiens (Human))	BDBM50075629 (6-{3-[2-cyano-1-isopropylamino-(E)-1-iminomethylam...) Show SMILES CC(C)NC(Nc1cccc(c1)C(=CCCCC(O)=O)c1cccnc1)=NC#N |w:26.28,13.14| Show InChI InChI=1S/C22H25N5O2/c1-16(2)26-22(25-15-23)27-19-9-5-7-17(13-19)20(10-3-4-11-21(28)29)18-8-6-12-24-14-18/h5-10,12-14,16H,3-4,11H2,1-2H3,(H,28,29)(H2,25,26,27)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	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
Thromboxane A2 Synthase (P450 TxA2) (Homo sapiens (Human))	BDBM50075629 (6-{3-[2-cyano-1-isopropylamino-(E)-1-iminomethylam...) Show SMILES CC(C)NC(Nc1cccc(c1)C(=CCCCC(O)=O)c1cccnc1)=NC#N |w:26.28,13.14| Show InChI InChI=1S/C22H25N5O2/c1-16(2)26-22(25-15-23)27-19-9-5-7-17(13-19)20(10-3-4-11-21(28)29)18-8-6-12-24-14-18/h5-10,12-14,16H,3-4,11H2,1-2H3,(H,28,29)(H2,25,26,27)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	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