BDBM50109127 5-[(3-[1,4-dimethyl-6-(2-chloro-phenyl)-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-9-yl-carbonyl]-phenyl)-pyridin-3-yl-methyleneaminooxy]-pentanoic acid ethyl ester::CHEMBL323798::ethyl 5-{[1-{3-[6-(2-chlorophenyl)-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-9-ylcarbonyl]phenyl}-1-(3-pyridyl)-(E)-methylideneamino]-oxy}-pentanoate

SMILES: CCOC(=O)CCCCO\N=C(\c1cccnc1)c1cccc(c1)C(=O)N1CCc2c(C1)sc-1c2C(=NC(C)c2nnc(C)n-12)c1ccccc1Cl

InChI Key: InChIKey=GSSUDQZKNLRYQT-WQZCAYQQSA-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 = 50109127   

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))	BDBM50109127 (5-[(3-[1,4-dimethyl-6-(2-chloro-phenyl)-7,8,9,10-t...) Show SMILES CCOC(=O)CCCCO\N=C(\c1cccnc1)c1cccc(c1)C(=O)N1CCc2c(C1)sc-1c2C(=NC(C)c2nnc(C)n-12)c1ccccc1Cl |c:39| Show InChI InChI=1S/C39H38ClN7O4S/c1-4-50-33(48)16-7-8-20-51-45-35(28-13-10-18-41-22-28)26-11-9-12-27(21-26)38(49)46-19-17-30-32(23-46)52-39-34(30)36(29-14-5-6-15-31(29)40)42-24(2)37-44-43-25(3)47(37)39/h5-6,9-15,18,21-22,24H,4,7-8,16-17,19-20,23H2,1-3H3/b45-35+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	65	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 TXB2 production by incubating prostaglandin H2 with human platelet microsomes.				Bioorg Med Chem Lett 12: 341-4 (2002) BindingDB Entry DOI: 10.7270/Q2ST7P56
					More data for this Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2) (Homo sapiens (Human))	BDBM50109127 (5-[(3-[1,4-dimethyl-6-(2-chloro-phenyl)-7,8,9,10-t...) Show SMILES CCOC(=O)CCCCO\N=C(\c1cccnc1)c1cccc(c1)C(=O)N1CCc2c(C1)sc-1c2C(=NC(C)c2nnc(C)n-12)c1ccccc1Cl |c:39| Show InChI InChI=1S/C39H38ClN7O4S/c1-4-50-33(48)16-7-8-20-51-45-35(28-13-10-18-41-22-28)26-11-9-12-27(21-26)38(49)46-19-17-30-32(23-46)52-39-34(30)36(29-14-5-6-15-31(29)40)42-24(2)37-44-43-25(3)47(37)39/h5-6,9-15,18,21-22,24H,4,7-8,16-17,19-20,23H2,1-3H3/b45-35+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	65	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