Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasma kallikrein' and Ligand = 'BDBM303809'   

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))	BDBM303809 (2-(11′-Chloro-2′,5′-dioxo-2̸...) Show SMILES CO[C@H]1CC[C@H](CC(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)n2cc3c(cc2=O)-c2cc(Cl)ccc2CC2(CC2)NC3=O)CC1 |r,wU:2.1,wD:5.5,$;;;;;;;;;;HN;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;HN;;;;$,(6.03,5.01,;4.69,5.78,;3.36,5,;3.36,3.46,;2.03,2.7,;.69,3.46,;-.64,2.69,;-.64,1.15,;.69,.38,;.69,-1.16,;2.03,1.15,;3.36,.38,;3.36,-1.16,;4.69,-1.93,;6.03,-1.16,;7.49,-1.63,;8.4,-.39,;9.94,-.39,;7.49,.86,;6.03,.38,;4.69,1.15,;-1.97,.38,;-3.31,1.15,;-4.64,.38,;-4.64,-1.16,;-3.31,-1.93,;-1.97,-1.16,;-.64,-1.93,;-5.98,-1.93,;-5.98,-3.47,;-7.31,-4.24,;-7.31,-5.78,;-8.64,-3.47,;-8.64,-1.93,;-7.31,-1.16,;-8.4,-.07,;-8.4,1.47,;-9.94,1.47,;-9.17,2.81,;-7.06,2.24,;-5.04,1.87,;-4.27,3.21,;.69,5,;2.03,5.77,)| Show InChI InChI=1S/C33H34ClN5O5/c1-44-22-7-2-18(3-8-22)12-28(31(42)35-21-6-9-26-27(14-21)37-32(43)36-26)39-17-25-24(15-29(39)40)23-13-20(34)5-4-19(23)16-33(10-11-33)38-30(25)41/h4-6,9,13-15,17-18,22,28H,2-3,7-8,10-12,16H2,1H3,(H,35,42)(H,38,41)(H2,36,37,43)/t18-,22-,28?	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description o determine the plasma kallikrein inhibition of the substances according to the invention, a biochemical test system is used which utilizes the react...				US Patent US10138236 (2018) BindingDB Entry DOI: 10.7270/Q2445PH4
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