Compile Data Set for Download or QSAR

Found 202 hits Enz. Inhib. hit(s) with all data for entry = 9928   

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))	BDBM283443 (US10023557, Example 95 | US10266515, Example 95 | ...) Show SMILES COC(=O)c1cc(Cc2cc(ccn2)C(=O)NCc2ccc(N)nc2C)cc2cc(Cl)cnc12 Show InChI InChI=1S/C25H22ClN5O3/c1-14-17(3-4-22(27)31-14)12-30-24(32)16-5-6-28-20(11-16)8-15-7-18-10-19(26)13-29-23(18)21(9-15)25(33)34-2/h3-7,9-11,13H,8,12H2,1-2H3,(H2,27,31)(H,30,32)	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))	BDBM283445 (N-((6-amino-2-methylpyridin-3-yl)methyl)-2- ((3-ch...) Show SMILES Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(CO)c3ncc(Cl)cc3c2)c1 Show InChI InChI=1S/C24H22ClN5O2/c1-14-17(2-3-22(26)30-14)11-29-24(32)16-4-5-27-21(10-16)8-15-6-18-9-20(25)12-28-23(18)19(7-15)13-31/h2-7,9-10,12,31H,8,11,13H2,1H3,(H2,26,30)(H,29,32)	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))	BDBM283447 (6-((4-(((6-amino-2,4-dimethylpyridin-3- yl)methyl)...) Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2ccc3[n+]([O-])cc(Cl)cc3c2)c1 Show InChI InChI=1S/C24H22ClN5O2/c1-14-7-23(26)29-15(2)21(14)12-28-24(31)17-5-6-27-20(11-17)9-16-3-4-22-18(8-16)10-19(25)13-30(22)32/h3-8,10-11,13H,9,12H2,1-2H3,(H2,26,29)(H,28,31)	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))	BDBM283448 (N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...) Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cc(Cl)c3ncc(Cl)cc3c2)c1 Show InChI InChI=1S/C24H21Cl2N5O/c1-13-5-22(27)31-14(2)20(13)12-30-24(32)16-3-4-28-19(10-16)7-15-6-17-9-18(25)11-29-23(17)21(26)8-15/h3-6,8-11H,7,12H2,1-2H3,(H2,27,31)(H,30,32)	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))	BDBM283449 (N-((6-amino-2-methylpyridin-3-yl)methyl)-2- ((3,8-...) Show SMILES Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(Cl)c3ncc(Cl)cc3c2)c1 Show InChI InChI=1S/C23H19Cl2N5O/c1-13-16(2-3-21(26)30-13)11-29-23(31)15-4-5-27-19(10-15)7-14-6-17-9-18(24)12-28-22(17)20(25)8-14/h2-6,8-10,12H,7,11H2,1H3,(H2,26,30)(H,29,31)	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))	BDBM283450 (N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...) Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2F)c1 Show InChI InChI=1S/C24H21ClFN5O/c1-13-7-22(27)31-14(2)20(13)12-30-24(32)16-5-6-28-18(9-16)8-15-3-4-21-19(23(15)26)10-17(25)11-29-21/h3-7,9-11H,8,12H2,1-2H3,(H2,27,31)(H,30,32)	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))	BDBM283451 (N-((6-amino-2-methylpyridin-3-yl)methyl)-2- ((3-ch...) Show SMILES Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2F)c1 Show InChI InChI=1S/C23H19ClFN5O/c1-13-16(3-5-21(26)30-13)11-29-23(31)15-6-7-27-18(9-15)8-14-2-4-20-19(22(14)25)10-17(24)12-28-20/h2-7,9-10,12H,8,11H2,1H3,(H2,26,30)(H,29,31)	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))	BDBM283452 (N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...) Show SMILES Cc1cc(cc(Cc2ccc3ncc(Cl)cc3c2)n1)C(=O)NCc1c(C)cc(N)nc1C Show InChI InChI=1S/C25H24ClN5O/c1-14-6-24(27)31-16(3)22(14)13-29-25(32)19-7-15(2)30-21(11-19)9-17-4-5-23-18(8-17)10-20(26)12-28-23/h4-8,10-12H,9,13H2,1-3H3,(H2,27,31)(H,29,32)	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))	BDBM283549 (N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...) Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cn2ncc3cc(Cl)ccc23)c1 Show InChI InChI=1S/C22H21ClN6O/c1-13-7-21(24)28-14(2)19(13)11-26-22(30)15-5-6-25-18(9-15)12-29-20-4-3-17(23)8-16(20)10-27-29/h3-10H,11-12H2,1-2H3,(H2,24,28)(H,26,30)	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))	BDBM283454 (N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...) Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cn2cc3cc(Cl)ccc3n2)c1 Show InChI InChI=1S/C22H21ClN6O/c1-13-7-21(24)27-14(2)19(13)10-26-22(30)15-5-6-25-18(9-15)12-29-11-16-8-17(23)3-4-20(16)28-29/h3-9,11H,10,12H2,1-2H3,(H2,24,27)(H,26,30)	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))	BDBM283456 (N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...) Show SMILES Cc1ccc2n(Cc3cc(ccn3)C(=O)NCc3c(C)cc(N)nc3C)ncc2c1 Show InChI InChI=1S/C23H24N6O/c1-14-4-5-21-18(8-14)11-27-29(21)13-19-10-17(6-7-25-19)23(30)26-12-20-15(2)9-22(24)28-16(20)3/h4-11H,12-13H2,1-3H3,(H2,24,28)(H,26,30)	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))	BDBM283458 (N-((3-chloro-6-fluoro-1H-indol-5-yl)methyl)-2- ((2...) Show SMILES Cc1ccc2cc(Cc3cc(ccn3)C(=O)NCc3cc4c(Cl)c[nH]c4cc3F)ccc2n1 Show InChI InChI=1S/C26H20ClFN4O/c1-15-2-4-17-8-16(3-5-24(17)32-15)9-20-10-18(6-7-29-20)26(33)31-13-19-11-21-22(27)14-30-25(21)12-23(19)28/h2-8,10-12,14,30H,9,13H2,1H3,(H,31,33)	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))	BDBM283459 (N-((1-aminoisoquinolin-6-yl)methyl)-2-((2- methylq...) Show SMILES Cc1ccc2cc(Cc3cc(ccn3)C(=O)NCc3ccc4c(N)nccc4c3)ccc2n1 Show InChI InChI=1S/C27H23N5O/c1-17-2-5-21-12-18(4-7-25(21)32-17)14-23-15-22(9-10-29-23)27(33)31-16-19-3-6-24-20(13-19)8-11-30-26(24)28/h2-13,15H,14,16H2,1H3,(H2,28,30)(H,31,33)	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))	BDBM283460 (N-((6-amino-2-methylpyridin-3-yl)methyl)-2- ((2-me...) Show SMILES Cc1ccc2cc(Cc3cc(ccn3)C(=O)NCc3ccc(N)nc3C)ccc2n1 Show InChI InChI=1S/C24H23N5O/c1-15-3-5-18-11-17(4-7-22(18)28-15)12-21-13-19(9-10-26-21)24(30)27-14-20-6-8-23(25)29-16(20)2/h3-11,13H,12,14H2,1-2H3,(H2,25,29)(H,27,30)	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))	BDBM283461 (N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...) Show SMILES Cc1ccc2cc(Cc3cc(ccn3)C(=O)NCc3c(C)cc(N)nc3C)ccc2n1 Show InChI InChI=1S/C25H25N5O/c1-15-10-24(26)30-17(3)22(15)14-28-25(31)20-8-9-27-21(13-20)12-18-5-7-23-19(11-18)6-4-16(2)29-23/h4-11,13H,12,14H2,1-3H3,(H2,26,30)(H,28,31)	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))	BDBM283462 (N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...) Show SMILES Cc1ccc2ncc(Cc3cc(ccn3)C(=O)NCc3c(C)cc(N)nc3C)cc2c1 Show InChI InChI=1S/C25H25N5O/c1-15-4-5-23-20(8-15)10-18(13-28-23)11-21-12-19(6-7-27-21)25(31)29-14-22-16(2)9-24(26)30-17(22)3/h4-10,12-13H,11,14H2,1-3H3,(H2,26,30)(H,29,31)	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
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))	BDBM283464 (N-((3-chloro-6-fluoro-1H-indol-5-yl)methyl)-2- ((6...) Show SMILES Cc1ccc2ncc(Cc3cc(ccn3)C(=O)NCc3cc4c(Cl)c[nH]c4cc3F)cc2c1 Show InChI InChI=1S/C26H20ClFN4O/c1-15-2-3-24-18(6-15)7-16(12-30-24)8-20-9-17(4-5-29-20)26(33)32-13-19-10-21-22(27)14-31-25(21)11-23(19)28/h2-7,9-12,14,31H,8,13H2,1H3,(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))	BDBM283465 (N-((6-amino-2-methylpyridin-3-yl)methyl)-2- ((6-me...) Show SMILES Cc1ccc2ncc(Cc3cc(ccn3)C(=O)NCc3ccc(N)nc3C)cc2c1 Show InChI InChI=1S/C24H23N5O/c1-15-3-5-22-20(9-15)10-17(13-27-22)11-21-12-18(7-8-26-21)24(30)28-14-19-4-6-23(25)29-16(19)2/h3-10,12-13H,11,14H2,1-2H3,(H2,25,29)(H,28,30)	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))	BDBM283466 (N-((1-aminoisoquinolin-6-yl)methyl)-2-((6- fluoroq...) Show SMILES Nc1nccc2cc(CNC(=O)c3ccnc(Cc4cnc5ccc(F)cc5c4)c3)ccc12 Show InChI InChI=1S/C26H20FN5O/c27-21-2-4-24-20(12-21)10-17(15-31-24)11-22-13-19(6-7-29-22)26(33)32-14-16-1-3-23-18(9-16)5-8-30-25(23)28/h1-10,12-13,15H,11,14H2,(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))	BDBM283467 (N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...) Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cnc3ccc(F)cc3c2)c1 Show InChI InChI=1S/C24H22FN5O/c1-14-7-23(26)30-15(2)21(14)13-29-24(31)17-5-6-27-20(11-17)9-16-8-18-10-19(25)3-4-22(18)28-12-16/h3-8,10-12H,9,13H2,1-2H3,(H2,26,30)(H,29,31)	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))	BDBM283468 (N-((3-chloro-6-fluoro-1H-indol-5-yl)methyl)-2- ((6...) Show SMILES Fc1ccc2ncc(Cc3cc(ccn3)C(=O)NCc3cc4c(Cl)c[nH]c4cc3F)cc2c1 Show InChI InChI=1S/C25H17ClF2N4O/c26-21-13-31-24-10-22(28)17(9-20(21)24)12-32-25(33)15-3-4-29-19(8-15)6-14-5-16-7-18(27)1-2-23(16)30-11-14/h1-5,7-11,13,31H,6,12H2,(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))	BDBM283469 (N-((6-amino-2-methylpyridin-3-yl)methyl)-2- ((6-fl...) Show SMILES Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cnc3ccc(F)cc3c2)c1 Show InChI InChI=1S/C23H20FN5O/c1-14-17(2-5-22(25)29-14)13-28-23(30)16-6-7-26-20(11-16)9-15-8-18-10-19(24)3-4-21(18)27-12-15/h2-8,10-12H,9,13H2,1H3,(H2,25,29)(H,28,30)	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))	BDBM283470 (N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...) Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cnc3cc(F)ccc3c2)c1 Show InChI InChI=1S/C24H22FN5O/c1-14-7-23(26)30-15(2)21(14)13-29-24(31)18-5-6-27-20(10-18)9-16-8-17-3-4-19(25)11-22(17)28-12-16/h3-8,10-12H,9,13H2,1-2H3,(H2,26,30)(H,29,31)	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))	BDBM283471 (N-((3-chloro-6-fluoro-1H-indol-5-yl)methyl)-2- ((7...) Show SMILES Fc1ccc2cc(Cc3cc(ccn3)C(=O)NCc3cc4c(Cl)c[nH]c4cc3F)cnc2c1 Show InChI InChI=1S/C25H17ClF2N4O/c26-21-13-31-24-10-22(28)17(8-20(21)24)12-32-25(33)16-3-4-29-19(7-16)6-14-5-15-1-2-18(27)9-23(15)30-11-14/h1-5,7-11,13,31H,6,12H2,(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))	BDBM283472 (N-((1-aminoisoquinolin-6-yl)methyl)-2-((7- fluoroq...) Show SMILES Nc1nccc2cc(CNC(=O)c3ccnc(Cc4cnc5cc(F)ccc5c4)c3)ccc12 Show InChI InChI=1S/C26H20FN5O/c27-21-3-2-19-10-17(15-31-24(19)13-21)11-22-12-20(6-7-29-22)26(33)32-14-16-1-4-23-18(9-16)5-8-30-25(23)28/h1-10,12-13,15H,11,14H2,(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))	BDBM283473 (N-((3-chloro-6-fluoro-1H-indol-5-yl)methyl)-2- (qu...) Show SMILES Fc1cc2[nH]cc(Cl)c2cc1CNC(=O)c1ccnc(Cc2cnc3ccccc3c2)c1 Show InChI InChI=1S/C25H18ClFN4O/c26-21-14-30-24-11-22(27)18(10-20(21)24)13-31-25(32)17-5-6-28-19(9-17)8-15-7-16-3-1-2-4-23(16)29-12-15/h1-7,9-12,14,30H,8,13H2,(H,31,32)	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))	BDBM283474 (N-((3-chloro-6-fluoro-1H-indol-5-yl)methyl)-2- ((6...) Show SMILES Fc1cc2[nH]cc(Cl)c2cc1CNC(=O)c1ccnc(Cc2cnc3ccc(Cl)cc3c2)c1 Show InChI InChI=1S/C25H17Cl2FN4O/c26-18-1-2-23-16(7-18)5-14(11-30-23)6-19-8-15(3-4-29-19)25(33)32-12-17-9-20-21(27)13-31-24(20)10-22(17)28/h1-5,7-11,13,31H,6,12H2,(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))	BDBM283475 (N-((1-aminoisoquinolin-6-yl)methyl)-2-((2- methylq...) Show SMILES Cc1ccc2ccc(Cc3cc(ccn3)C(=O)NCc3ccc4c(N)nccc4c3)cc2n1 Show InChI InChI=1S/C27H23N5O/c1-17-2-5-20-6-3-18(14-25(20)32-17)13-23-15-22(9-10-29-23)27(33)31-16-19-4-7-24-21(12-19)8-11-30-26(24)28/h2-12,14-15H,13,16H2,1H3,(H2,28,30)(H,31,33)	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))	BDBM283476 (N-((3-chloro-6-fluoro-1H-indol-5-yl)methyl)-2- ((2...) Show SMILES Cc1ccc2ccc(Cc3cc(ccn3)C(=O)NCc3cc4c(Cl)c[nH]c4cc3F)cc2n1 Show InChI InChI=1S/C26H20ClFN4O/c1-15-2-4-17-5-3-16(9-24(17)32-15)8-20-10-18(6-7-29-20)26(33)31-13-19-11-21-22(27)14-30-25(21)12-23(19)28/h2-7,9-12,14,30H,8,13H2,1H3,(H,31,33)	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))	BDBM283478 (N-((3-chloro-6-fluoro-1H-indol-5-yl)methyl)-2- ((2...) Show SMILES Fc1cc2[nH]cc(Cl)c2cc1CNC(=O)c1ccnc(Cc2ccc3nc(ccc3c2)C#N)c1 Show InChI InChI=1S/C26H17ClFN5O/c27-22-14-31-25-11-23(28)18(10-21(22)25)13-32-26(34)17-5-6-30-20(9-17)8-15-1-4-24-16(7-15)2-3-19(12-29)33-24/h1-7,9-11,14,31H,8,13H2,(H,32,34)	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))	BDBM500277 (N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-2-((...) Show SMILES Cc1cc(N)nc(F)c1CNC(=O)c1ccnc(Cc2ccc3nc(ccc3c2)C#N)c1 Show InChI InChI=1S/C24H19FN6O/c1-14-8-22(27)31-23(25)20(14)13-29-24(32)17-6-7-28-19(11-17)10-15-2-5-21-16(9-15)3-4-18(12-26)30-21/h2-9,11H,10,13H2,1H3,(H2,27,31)(H,29,32)	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))	BDBM283480 (N-((1-aminoisoquinolin-6-yl)methyl)-2-((3- methyli...) Show SMILES Cc1cc2cc(Cc3cc(ccn3)C(=O)NCc3ccc4c(N)nccc4c3)ccc2cn1 Show InChI InChI=1S/C27H23N5O/c1-17-10-23-11-18(2-4-22(23)16-31-17)13-24-14-21(7-8-29-24)27(33)32-15-19-3-5-25-20(12-19)6-9-30-26(25)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))	BDBM283481 (N-((3-chloro-6-fluoro-1H-indol-5-yl)methyl)-2- ((3...) Show SMILES Cc1cc2cc(Cc3cc(ccn3)C(=O)NCc3cc4c(Cl)c[nH]c4cc3F)ccc2cn1 Show InChI InChI=1S/C26H20ClFN4O/c1-15-6-19-7-16(2-3-18(19)12-30-15)8-21-9-17(4-5-29-21)26(33)32-13-20-10-22-23(27)14-31-25(22)11-24(20)28/h2-7,9-12,14,31H,8,13H2,1H3,(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))	BDBM283484 (N-((1-aminoisoquinolin-6-yl)methyl)-2-((4- cyanoqu...) Show SMILES Nc1nccc2cc(CNC(=O)c3ccnc(Cc4ccc5nccc(C#N)c5c4)c3)ccc12 Show InChI InChI=1S/C27H20N6O/c28-15-21-7-9-31-25-4-2-17(13-24(21)25)12-22-14-20(6-8-30-22)27(34)33-16-18-1-3-23-19(11-18)5-10-32-26(23)29/h1-11,13-14H,12,16H2,(H2,29,32)(H,33,34)	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))	BDBM378009 (N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-2-((...) Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2ccc3nccc(C#N)c3c2)c1 Show InChI InChI=1S/C25H22N6O/c1-15-9-24(27)31-16(2)22(15)14-30-25(32)18-5-7-28-20(12-18)10-17-3-4-23-21(11-17)19(13-26)6-8-29-23/h3-9,11-12H,10,14H2,1-2H3,(H2,27,31)(H,30,32)	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))	BDBM283487 (N-((1-aminoisoquinolin-6-yl)methyl)-2-((7- chloroq...) Show SMILES Nc1nccc2cc(CNC(=O)c3ccnc(Cc4cnc5cc(Cl)ccc5c4)c3)ccc12 Show InChI InChI=1S/C26H20ClN5O/c27-21-3-2-19-10-17(15-31-24(19)13-21)11-22-12-20(6-7-29-22)26(33)32-14-16-1-4-23-18(9-16)5-8-30-25(23)28/h1-10,12-13,15H,11,14H2,(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))	BDBM283488 (N-((3-chloro-6-fluoro-1H-indol-5-yl)methyl)-2- ((7...) Show SMILES Fc1cc2[nH]cc(Cl)c2cc1CNC(=O)c1ccnc(Cc2cnc3cc(Cl)ccc3c2)c1 Show InChI InChI=1S/C25H17Cl2FN4O/c26-18-2-1-15-5-14(11-30-23(15)9-18)6-19-7-16(3-4-29-19)25(33)32-12-17-8-20-21(27)13-31-24(20)10-22(17)28/h1-5,7-11,13,31H,6,12H2,(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))	BDBM283489 (N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...) Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cnc3cc(Cl)ccc3c2)c1 Show InChI InChI=1S/C24H22ClN5O/c1-14-7-23(26)30-15(2)21(14)13-29-24(31)18-5-6-27-20(10-18)9-16-8-17-3-4-19(25)11-22(17)28-12-16/h3-8,10-12H,9,13H2,1-2H3,(H2,26,30)(H,29,31)	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))	BDBM283490 (N-((1-aminoisoquinolin-6-yl)methyl)-2-((3- methylq...) Show SMILES Cc1cnc2ccc(Cc3cc(ccn3)C(=O)NCc3ccc4c(N)nccc4c3)cc2c1 Show InChI InChI=1S/C27H23N5O/c1-17-10-22-11-18(3-5-25(22)31-15-17)13-23-14-21(7-8-29-23)27(33)32-16-19-2-4-24-20(12-19)6-9-30-26(24)28/h2-12,14-15H,13,16H2,1H3,(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))	BDBM283491 (N-((3-chloro-6-fluoro-1H-indol-5-yl)methyl)-2- ((3...) Show SMILES Cc1cnc2ccc(Cc3cc(ccn3)C(=O)NCc3cc4c(Cl)c[nH]c4cc3F)cc2c1 Show InChI InChI=1S/C26H20ClFN4O/c1-15-6-18-7-16(2-3-24(18)30-12-15)8-20-9-17(4-5-29-20)26(33)32-13-19-10-21-22(27)14-31-25(21)11-23(19)28/h2-7,9-12,14,31H,8,13H2,1H3,(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))	BDBM283492 (N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...) Show SMILES Cc1cnc2ccc(Cc3cc(ccn3)C(=O)NCc3c(C)cc(N)nc3C)cc2c1 Show InChI InChI=1S/C25H25N5O/c1-15-8-20-10-18(4-5-23(20)28-13-15)11-21-12-19(6-7-27-21)25(31)29-14-22-16(2)9-24(26)30-17(22)3/h4-10,12-13H,11,14H2,1-3H3,(H2,26,30)(H,29,31)	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))	BDBM283493 (N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...) Show SMILES Cc1cc2cc(Cc3cc(ccn3)C(=O)NCc3c(C)cc(N)nc3C)ccc2cn1 Show InChI InChI=1S/C25H25N5O/c1-15-8-24(26)30-17(3)23(15)14-29-25(31)19-6-7-27-22(12-19)11-18-4-5-20-13-28-16(2)9-21(20)10-18/h4-10,12-13H,11,14H2,1-3H3,(H2,26,30)(H,29,31)	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))	BDBM283351 (N-((1-aminoisoquinolin-6-yl)methyl)-2-((2- cyanoqu...) Show SMILES Nc1nccc2cc(CNC(=O)c3ccnc(Cc4ccc5nc(ccc5c4)C#N)c3)ccc12 Show InChI InChI=1S/C27H20N6O/c28-15-22-4-3-20-11-17(2-6-25(20)33-22)13-23-14-21(8-9-30-23)27(34)32-16-18-1-5-24-19(12-18)7-10-31-26(24)29/h1-12,14H,13,16H2,(H2,29,31)(H,32,34)	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))	BDBM283353 (N-((3-chloro-6-fluoro-1H-indol-5-yl)methyl)-2- ((3...) Show SMILES Fc1cc2[nH]cc(Cl)c2cc1CNC(=O)c1ccnc(Cc2ccc3ncc(cc3c2)C#N)c1 Show InChI InChI=1S/C26H17ClFN5O/c27-22-14-32-25-10-23(28)19(9-21(22)25)13-33-26(34)17-3-4-30-20(8-17)7-15-1-2-24-18(5-15)6-16(11-29)12-31-24/h1-6,8-10,12,14,32H,7,13H2,(H,33,34)	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))	BDBM283354 (N-((1-aminoisoquinolin-6-yl)methyl)-2-((3- cyanoqu...) Show SMILES Nc1nccc2cc(CNC(=O)c3ccnc(Cc4ccc5ncc(cc5c4)C#N)c3)ccc12 Show InChI InChI=1S/C27H20N6O/c28-14-19-11-22-9-17(2-4-25(22)32-16-19)12-23-13-21(6-7-30-23)27(34)33-15-18-1-3-24-20(10-18)5-8-31-26(24)29/h1-11,13,16H,12,15H2,(H2,29,31)(H,33,34)	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))	BDBM283355 (N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...) Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2ccc3ncc(cc3c2)C#N)c1 Show InChI InChI=1S/C25H22N6O/c1-15-7-24(27)31-16(2)22(15)14-30-25(32)19-5-6-28-21(11-19)10-17-3-4-23-20(8-17)9-18(12-26)13-29-23/h3-9,11,13H,10,14H2,1-2H3,(H2,27,31)(H,30,32)	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))	BDBM283360 (N-((3-chloro-6-fluoro-1H-indol-5-yl)methyl)-2- ((6...) Show SMILES CS(=O)(=O)c1ccc2ncc(Cc3cc(ccn3)C(=O)NCc3cc4c(Cl)c[nH]c4cc3F)cc2c1 Show InChI InChI=1S/C26H20ClFN4O3S/c1-36(34,35)20-2-3-24-17(9-20)6-15(12-30-24)7-19-8-16(4-5-29-19)26(33)32-13-18-10-21-22(27)14-31-25(21)11-23(18)28/h2-6,8-12,14,31H,7,13H2,1H3,(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))	BDBM283363 (N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...) Show SMILES Cc1cnc2c(cc(Cc3cc(ccn3)C(=O)NCc3c(C)cc(N)nc3C)cc2c1)S(C)(=O)=O Show InChI InChI=1S/C26H27N5O3S/c1-15-7-20-9-18(11-23(35(4,33)34)25(20)29-13-15)10-21-12-19(5-6-28-21)26(32)30-14-22-16(2)8-24(27)31-17(22)3/h5-9,11-13H,10,14H2,1-4H3,(H2,27,31)(H,30,32)	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))	BDBM283364 (N-((1-aminoisoquinolin-6-yl)methyl)-2-((3- methyl-...) Show SMILES Cc1cnc2c(cc(Cc3cc(ccn3)C(=O)NCc3ccc4c(N)nccc4c3)cc2c1)S(C)(=O)=O Show InChI InChI=1S/C28H25N5O3S/c1-17-9-22-11-19(13-25(37(2,35)36)26(22)32-15-17)12-23-14-21(6-7-30-23)28(34)33-16-18-3-4-24-20(10-18)5-8-31-27(24)29/h3-11,13-15H,12,16H2,1-2H3,(H2,29,31)(H,33,34)	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

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