Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Plasma kallikrein' and Ligand = 'BDBM283463'   

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))	BDBM283463 (N-((1-aminoisoquinolin-6-yl)methyl)-2-((6- methylq...) Show SMILES Cc1ccc2ncc(Cc3cc(ccn3)C(=O)NCc3ccc4c(N)nccc4c3)cc2c1 Show InChI InChI=1S/C27H23N5O/c1-17-2-5-25-22(10-17)12-19(16-31-25)13-23-14-21(7-8-29-23)27(33)32-15-18-3-4-24-20(11-18)6-9-30-26(24)28/h2-12,14,16H,13,15H2,1H3,(H2,28,30)(H,32,33)	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))	BDBM283463 (N-((1-aminoisoquinolin-6-yl)methyl)-2-((6- methylq...) Show SMILES Cc1ccc2ncc(Cc3cc(ccn3)C(=O)NCc3ccc4c(N)nccc4c3)cc2c1 Show InChI InChI=1S/C27H23N5O/c1-17-2-5-25-22(10-17)12-19(16-31-25)13-23-14-21(7-8-29-23)27(33)32-15-18-3-4-24-20(11-18)6-9-30-26(24)28/h2-12,14,16H,13,15H2,1H3,(H2,28,30)(H,32,33)	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	n/a	n/a
ENSCMu					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, ...				Bioorg Med Chem 14: 7241-57 (2006) BindingDB Entry DOI: 10.7270/Q2J968P7
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM283463 (N-((1-aminoisoquinolin-6-yl)methyl)-2-((6- methylq...) Show SMILES Cc1ccc2ncc(Cc3cc(ccn3)C(=O)NCc3ccc4c(N)nccc4c3)cc2c1 Show InChI InChI=1S/C27H23N5O/c1-17-2-5-25-22(10-17)12-19(16-31-25)13-23-14-21(7-8-29-23)27(33)32-15-18-3-4-24-20(11-18)6-9-30-26(24)28/h2-12,14,16H,13,15H2,1H3,(H2,28,30)(H,32,33)	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	n/a	n/a
ATTUNE 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 US11021463 (2021) BindingDB Entry DOI: 10.7270/Q21R6TN7
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM283463 (N-((1-aminoisoquinolin-6-yl)methyl)-2-((6- methylq...) Show SMILES Cc1ccc2ncc(Cc3cc(ccn3)C(=O)NCc3ccc4c(N)nccc4c3)cc2c1 Show InChI InChI=1S/C27H23N5O/c1-17-2-5-25-22(10-17)12-19(16-31-25)13-23-14-21(7-8-29-23)27(33)32-15-18-3-4-24-20(11-18)6-9-30-26(24)28/h2-12,14,16H,13,15H2,1H3,(H2,28,30)(H,32,33)	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	n/a	n/a
LIFESCI PHARMACEUTICALS, INC. US Patent					Assay Description The ability of the compounds disclosed herein to inhibit human plasma kallikrein activity was quantified according to the procedures below.A 10 mM so...				US Patent US9611252 (2017) BindingDB Entry DOI: 10.7270/Q2930W8S
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM283463 (N-((1-aminoisoquinolin-6-yl)methyl)-2-((6- methylq...) Show SMILES Cc1ccc2ncc(Cc3cc(ccn3)C(=O)NCc3ccc4c(N)nccc4c3)cc2c1 Show InChI InChI=1S/C27H23N5O/c1-17-2-5-25-22(10-17)12-19(16-31-25)13-23-14-21(7-8-29-23)27(33)32-15-18-3-4-24-20(11-18)6-9-30-26(24)28/h2-12,14,16H,13,15H2,1H3,(H2,28,30)(H,32,33)	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
ATTUNE PHARMACEUTICALS, INC. US Patent					Assay Description Materials:Plasma kallikrein inhibitor C1NH (Athens Research & Technology, Cat #16-16-031509); Ellagic acid (Sigma, E2250); Substrate Z-FR-2-AMC (GL B...				US Patent US11021463 (2021) BindingDB Entry DOI: 10.7270/Q21R6TN7
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM283463 (N-((1-aminoisoquinolin-6-yl)methyl)-2-((6- methylq...) Show SMILES Cc1ccc2ncc(Cc3cc(ccn3)C(=O)NCc3ccc4c(N)nccc4c3)cc2c1 Show InChI InChI=1S/C27H23N5O/c1-17-2-5-25-22(10-17)12-19(16-31-25)13-23-14-21(7-8-29-23)27(33)32-15-18-3-4-24-20(11-18)6-9-30-26(24)28/h2-12,14,16H,13,15H2,1H3,(H2,28,30)(H,32,33)	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
ENSCMu					Assay Description Human plasma is thawed on ice and centrifuged for 15 min at 4° C. to remove platelets. A 1 mM stock solution of ellagic acid is diluted to 8 μM ...				Bioorg Med Chem 14: 7241-57 (2006) BindingDB Entry DOI: 10.7270/Q2J968P7
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM283463 (N-((1-aminoisoquinolin-6-yl)methyl)-2-((6- methylq...) Show SMILES Cc1ccc2ncc(Cc3cc(ccn3)C(=O)NCc3ccc4c(N)nccc4c3)cc2c1 Show InChI InChI=1S/C27H23N5O/c1-17-2-5-25-22(10-17)12-19(16-31-25)13-23-14-21(7-8-29-23)27(33)32-15-18-3-4-24-20(11-18)6-9-30-26(24)28/h2-12,14,16H,13,15H2,1H3,(H2,28,30)(H,32,33)	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