Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Serine protease 1' and Ligand = 'BDBM50066633'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Serine protease 1 (Bos taurus (bovine))	BDBM50066633 (3-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-meth...) Show SMILES CN(C)C(=O)c1cccc(Oc2nc(Oc3cccc(c3)C(N)=N)c(F)c(C)c2F)c1 Show InChI InChI=1S/C22H20F2N4O3/c1-12-17(23)20(30-15-8-4-6-13(10-15)19(25)26)27-21(18(12)24)31-16-9-5-7-14(11-16)22(29)28(2)3/h4-11H,1-3H3,(H3,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibitory potency was measured against bovine trypsin.				J Med Chem 41: 3557-62 (1998) Article DOI: 10.1021/jm980280h BindingDB Entry DOI: 10.7270/Q2KS6QPR
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50066633 (3-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-meth...) Show SMILES CN(C)C(=O)c1cccc(Oc2nc(Oc3cccc(c3)C(N)=N)c(F)c(C)c2F)c1 Show InChI InChI=1S/C22H20F2N4O3/c1-12-17(23)20(30-15-8-4-6-13(10-15)19(25)26)27-21(18(12)24)31-16-9-5-7-14(11-16)22(29)28(2)3/h4-11H,1-3H3,(H3,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibitory constant against bovine trypsin for general specificity against serine proteases				J Med Chem 45: 2484-93 (2002) BindingDB Entry DOI: 10.7270/Q24J0FTH
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50066633 (3-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-meth...) Show SMILES CN(C)C(=O)c1cccc(Oc2nc(Oc3cccc(c3)C(N)=N)c(F)c(C)c2F)c1 Show InChI InChI=1S/C22H20F2N4O3/c1-12-17(23)20(30-15-8-4-6-13(10-15)19(25)26)27-21(18(12)24)31-16-9-5-7-14(11-16)22(29)28(2)3/h4-11H,1-3H3,(H3,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against bovine trypsin				Bioorg Med Chem Lett 8: 2235-40 (1999) BindingDB Entry DOI: 10.7270/Q2G44PGD
					More data for this Ligand-Target Pair