BDBM50408867 CHEMBL2093006

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

InChI Key: InChIKey=AKUSUAZJHUIURR-ANYBSYGZSA-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 = 50408867   

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))	BDBM50408867 (CHEMBL2093006) Show SMILES CC(C)(C)NC(Nc1cccc(c1)C(=N\OCCCCC(O)=O)\c1cccnc1)=NC#N |w:29.31| Show InChI InChI=1S/C23H28N6O3/c1-23(2,3)28-22(26-16-24)27-19-10-6-8-17(14-19)21(18-9-7-12-25-15-18)29-32-13-5-4-11-20(30)31/h6-10,12,14-15H,4-5,11,13H2,1-3H3,(H,30,31)(H2,26,27,28)/b29-21-	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	510	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))	BDBM50408867 (CHEMBL2093006) Show SMILES CC(C)(C)NC(Nc1cccc(c1)C(=N\OCCCCC(O)=O)\c1cccnc1)=NC#N |w:29.31| Show InChI InChI=1S/C23H28N6O3/c1-23(2,3)28-22(26-16-24)27-19-10-6-8-17(14-19)21(18-9-7-12-25-15-18)29-32-13-5-4-11-20(30)31/h6-10,12,14-15H,4-5,11,13H2,1-3H3,(H,30,31)(H2,26,27,28)/b29-21-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	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