BDBM50110445 2-(1,4-dimethyl-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)phenyl chloride::CHEMBL424160

SMILES: CC1N=C(c2c3CCNCc3sc2-n2c(C)nnc12)c1ccccc1Cl

InChI Key: InChIKey=YZZGMPVDMKVAIZ-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 = 50110445   

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))	BDBM50110445 (2-(1,4-dimethyl-7,8,9,10-tetrahydro-4H-pyrido[4',3...) Show SMILES CC1N=C(c2c3CCNCc3sc2-n2c(C)nnc12)c1ccccc1Cl |c:2| Show InChI InChI=1S/C19H18ClN5S/c1-10-18-24-23-11(2)25(18)19-16(13-7-8-21-9-15(13)26-19)17(22-10)12-5-3-4-6-14(12)20/h3-6,10,21H,7-9H2,1-2H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nikken Chemicals Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of thromboxane synthase (TXA2) in human platelet microsomes [reduced formation of TXB2 from prostaglandin H2(PGH2)]				Bioorg Med Chem Lett 12: 771-4 (2002) BindingDB Entry DOI: 10.7270/Q23X85ZH
					More data for this Ligand-Target Pair