Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasma kallikrein' and Ligand = 'BDBM50359553'   

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
Plasma kallikrein (Homo sapiens (Human))	BDBM50359553 (CHEMBL1927450) Show SMILES CC[C@H](C)[C@H]1NC(=O)C[C@H](Cc2cccc(CN)c2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CNC(=O)\C=C\[C@H](Cc2ccc(O)cc2)NC1=O)NC(=O)CCCCCN |r,t:36| Show InChI InChI=1S/C42H60N8O7/c1-3-27(2)39-41(56)46-31(22-28-13-16-33(51)17-14-28)15-18-36(52)45-26-34(48-37(53)12-5-4-6-19-43)42(57)50-20-8-11-35(50)40(55)47-32(24-38(54)49-39)23-29-9-7-10-30(21-29)25-44/h7,9-10,13-18,21,27,31-32,34-35,39,51H,3-6,8,11-12,19-20,22-26,43-44H2,1-2H3,(H,45,52)(H,46,56)(H,47,55)(H,48,53)(H,49,54)/b18-15+/t27-,31+,32-,34-,35-,39+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Bielefeld Curated by ChEMBL					Assay Description Inhibition of plasma kallikrein				Bioorg Med Chem 19: 7236-43 (2011) Article DOI: 10.1016/j.bmc.2011.09.050 BindingDB Entry DOI: 10.7270/Q2KD1ZBG
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