Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine protease 1' and Ligand = 'BDBM50054500'   

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 (Homo sapiens (Human))	BDBM50054500 (CHEMBL140646 | {(S)-1-[((S)-3-Carbamimidoyl-2-hydr...) Show SMILES CC(C)(C)OC(=O)N[C@H]1CCCN(CC(=O)N[C@H]2CCCC(C2O)C(N)=N)C1=O Show InChI InChI=1S/C19H33N5O5/c1-19(2,3)29-18(28)23-13-8-5-9-24(17(13)27)10-14(25)22-12-7-4-6-11(15(12)26)16(20)21/h11-13,15,26H,4-10H2,1-3H3,(H3,20,21)(H,22,25)(H,23,28)/t11?,12-,13-,15?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.68E+4	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of serine protease Trypsin.				J Med Chem 39: 4531-6 (1996) Article DOI: 10.1021/jm960572n BindingDB Entry DOI: 10.7270/Q28051QT
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