BDBM50368039 CHEMBL1202293

SMILES: CCOC(=O)C1=C(Cn2ccnc2)N=C(C)C(C1c1c(F)cccc1Cl)C(=O)OC

InChI Key: InChIKey=SDDLRWPVGZJTTG-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50368039   

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))	BDBM50368039 (CHEMBL1202293) Show SMILES CCOC(=O)C1=C(Cn2ccnc2)N=C(C)C(C1c1c(F)cccc1Cl)C(=O)OC |c:5,t:14| Show InChI InChI=1S/C21H21ClFN3O4/c1-4-30-21(28)18-15(10-26-9-8-24-11-26)25-12(2)16(20(27)29-3)19(18)17-13(22)6-5-7-14(17)23/h5-9,11,16,19H,4,10H2,1-3H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research UK Curated by ChEMBL					Assay Description Inhibition of Thromboxane A2 synthase after oral administration of 0.03 mmol/kg				J Med Chem 33: 646-52 (1990) BindingDB Entry DOI: 10.7270/Q25X29HP
					More data for this Ligand-Target Pair