Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Plasma kallikrein' and Ligand = 'BDBM283535'   

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))	BDBM283535 (N-((1-amino-5-methylisoquinolion-6-yl)methyl)- 2-(...) Show SMILES Cc1c(CNC(=O)c2ccnc(Cc3ccc4ncc(cc4c3)C(F)(F)F)c2)ccc2c(N)nccc12 Show InChI InChI=1S/C28H22F3N5O/c1-16-19(3-4-24-23(16)7-9-34-26(24)32)14-36-27(37)18-6-8-33-22(13-18)11-17-2-5-25-20(10-17)12-21(15-35-25)28(29,30)31/h2-10,12-13,15H,11,14H2,1H3,(H2,32,34)(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	7.5	n/a
LIFESCI PHARMACEUTICALS, INC. US Patent					Assay Description A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...				US Patent US10023557 (2018) BindingDB Entry DOI: 10.7270/Q2BZ6839
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM283535 (N-((1-amino-5-methylisoquinolion-6-yl)methyl)- 2-(...) Show SMILES Cc1c(CNC(=O)c2ccnc(Cc3ccc4ncc(cc4c3)C(F)(F)F)c2)ccc2c(N)nccc12 Show InChI InChI=1S/C28H22F3N5O/c1-16-19(3-4-24-23(16)7-9-34-26(24)32)14-36-27(37)18-6-8-33-22(13-18)11-17-2-5-25-20(10-17)12-21(15-35-25)28(29,30)31/h2-10,12-13,15H,11,14H2,1H3,(H2,32,34)(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<100	n/a	n/a	n/a	n/a
LIFESCI PHARMACEUTICALS, INC. US Patent					Assay Description The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...				US Patent US10023557 (2018) BindingDB Entry DOI: 10.7270/Q2BZ6839
					More data for this Ligand-Target Pair