BDBM50387180 CHEMBL2047998

SMILES: CCOC(=O)Cn1c2ccc(O)cc2s\c1=N\C(N)=N

InChI Key: InChIKey=QHEKEKSMRXTAKP-NTCAYCPXSA-N

Data: 3 KI  1 Kd

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 4 hits for monomerid = 50387180   

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
Trypsin (Homo sapiens (Human))	BDBM50387180 (CHEMBL2047998) Show SMILES CCOC(=O)Cn1c2ccc(O)cc2s\c1=N\C(N)=N Show InChI InChI=1S/C12H14N4O3S/c1-2-19-10(18)6-16-8-4-3-7(17)5-9(8)20-12(16)15-11(13)14/h3-5,17H,2,6H2,1H3,(H3,13,14)/b15-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.68E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant trypsin 4 using tosyl-GPR-pNA substrate by spectrophotometry				Bioorg Med Chem Lett 22: 4839-43 (2012) Article DOI: 10.1016/j.bmcl.2012.05.046 BindingDB Entry DOI: 10.7270/Q2QV3NKC
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50387180 (CHEMBL2047998) Show SMILES CCOC(=O)Cn1c2ccc(O)cc2s\c1=N\C(N)=N Show InChI InChI=1S/C12H14N4O3S/c1-2-19-10(18)6-16-8-4-3-7(17)5-9(8)20-12(16)15-11(13)14/h3-5,17H,2,6H2,1H3,(H3,13,14)/b15-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.98E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant trypsin 1 using tosyl-GPR-pNA substrate by spectrophotometry				Bioorg Med Chem Lett 22: 4839-43 (2012) Article DOI: 10.1016/j.bmcl.2012.05.046 BindingDB Entry DOI: 10.7270/Q2QV3NKC
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50387180 (CHEMBL2047998) Show SMILES CCOC(=O)Cn1c2ccc(O)cc2s\c1=N\C(N)=N Show InChI InChI=1S/C12H14N4O3S/c1-2-19-10(18)6-16-8-4-3-7(17)5-9(8)20-12(16)15-11(13)14/h3-5,17H,2,6H2,1H3,(H3,13,14)/b15-12+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.81E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human thrombin using tosyl-GPR-pNA substrate by spectrophotometry				Bioorg Med Chem Lett 22: 4839-43 (2012) Article DOI: 10.1016/j.bmcl.2012.05.046 BindingDB Entry DOI: 10.7270/Q2QV3NKC
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50387180 (CHEMBL2047998) Show SMILES CCOC(=O)Cn1c2ccc(O)cc2s\c1=N\C(N)=N Show InChI InChI=1S/C12H14N4O3S/c1-2-19-10(18)6-16-8-4-3-7(17)5-9(8)20-12(16)15-11(13)14/h3-5,17H,2,6H2,1H3,(H3,13,14)/b15-12+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	9.50E+4	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to human alpha thrombin by Biocore A100 assay				Bioorg Med Chem Lett 22: 4839-43 (2012) Article DOI: 10.1016/j.bmcl.2012.05.046 BindingDB Entry DOI: 10.7270/Q2QV3NKC
					More data for this Ligand-Target Pair