Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Trypsin' and Ligand = 'BDBM50286441'   

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
Trypsin (Sus scrofa)	BDBM50286441 ((S)-2-((S)-2-Acetylamino-4-(S)-methyl-pentanoylami...) Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C20H38N6O5/c1-11(2)9-15(24-13(5)27)17(28)26-16(10-12(3)4)18(29)25-14(19(30)31)7-6-8-23-20(21)22/h11-12,14-16H,6-10H2,1-5H3,(H,24,27)(H,25,29)(H,26,28)(H,30,31)(H4,21,22,23)/t14-,15-,16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>200	n/a	n/a	n/a	n/a	n/a	n/a
University of Helsinki Curated by ChEMBL					Assay Description Inhibition of pig pancreas trypsin type IX-S				J. Nat. Prod. 77: 1784-90 (2014) Article DOI: 10.1021/np500106w BindingDB Entry DOI: 10.7270/Q2N0185F
					More data for this Ligand-Target Pair
Trypsin (Sus scrofa)	BDBM50286441 ((S)-2-((S)-2-Acetylamino-4-(S)-methyl-pentanoylami...) Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C20H38N6O5/c1-11(2)9-15(24-13(5)27)17(28)26-16(10-12(3)4)18(29)25-14(19(30)31)7-6-8-23-20(21)22/h11-12,14-16H,6-10H2,1-5H3,(H,24,27)(H,25,29)(H,26,28)(H,30,31)(H4,21,22,23)/t14-,15-,16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
University of Helsinki Curated by ChEMBL					Assay Description Inhibition of pig pancreas trypsin type IX-S using Boc-Gln-Ala-Arg-MCA substrate by 7-amino-4-methylcoumarin release based spectrofluorometry				J. Nat. Prod. 77: 1784-90 (2014) Article DOI: 10.1021/np500106w BindingDB Entry DOI: 10.7270/Q2N0185F
					More data for this Ligand-Target Pair