Compile Data Set for Download or QSAR

Found 1131 hits with Last Name = 'hehn' and Initial = 'jp'   

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))	BDBM423171 (US10501440, Example 3) Show SMILES Cc1nn(Cc2ccc(nc2C)N2CC3CC3C2)cc1C(=O)N[C@@H]1CCc2c1ccnc2N |r| Show InChI InChI=1S/C25H29N7O/c1-14-16(3-6-23(28-14)31-10-17-9-18(17)11-31)12-32-13-21(15(2)30-32)25(33)29-22-5-4-20-19(22)7-8-27-24(20)26/h3,6-8,13,17-18,22H,4-5,9-12H2,1-2H3,(H2,26,27)(H,29,33)/t17?,18?,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human KLKB1 (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295...				US Patent US10501440 (2019) BindingDB Entry DOI: 10.7270/Q2QR50JS
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM423183 (N-[(5R)-1-Amino-5H,6H,7H-cyclopenta[c]pyridin-5-yl...) Show SMILES COc1ccc(CNc2nccc3[C@@H](CCc23)NC(=O)c2cnn(Cc3ccc(nc3C)N3C[C@H]4[C@@H](C3)[C@H]4C#N)c2)c(OC)c1 |r| Show InChI InChI=1S/C34H36N8O3/c1-20-22(5-9-32(39-20)41-18-28-27(13-35)29(28)19-41)16-42-17-23(15-38-42)34(43)40-30-8-7-26-25(30)10-11-36-33(26)37-14-21-4-6-24(44-2)12-31(21)45-3/h4-6,9-12,15,17,27-30H,7-8,14,16,18-19H2,1-3H3,(H,36,37)(H,40,43)/t27-,28+,29-,30-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human KLKB1 (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295...				US Patent US10501440 (2019) BindingDB Entry DOI: 10.7270/Q2QR50JS
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM423170 (US10501440, Example 2) Show SMILES Cc1cc2[C@@H](CCc2c(N)n1)NC(=O)c1cnn(Cc2ccc(nc2C)N2CC3CC3C2)c1 |r| Show InChI InChI=1S/C25H29N7O/c1-14-7-21-20(24(26)28-14)4-5-22(21)30-25(33)19-9-27-32(13-19)12-16-3-6-23(29-15(16)2)31-10-17-8-18(17)11-31/h3,6-7,9,13,17-18,22H,4-5,8,10-12H2,1-2H3,(H2,26,28)(H,30,33)/t17?,18?,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human KLKB1 (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295...				US Patent US10501440 (2019) BindingDB Entry DOI: 10.7270/Q2QR50JS
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM423169 (N-[(5R)-1-Amino-5H,6H,7H-cyclopenta[c]pyridin-5-yl...) Show SMILES Cc1nc(ccc1Cn1cc(cn1)C(=O)N[C@@H]1CCc2c1ccnc2N)N1CC2CC2C1 |r| Show InChI InChI=1S/C24H27N7O/c1-14-15(2-5-22(28-14)30-10-16-8-17(16)11-30)12-31-13-18(9-27-31)24(32)29-21-4-3-20-19(21)6-7-26-23(20)25/h2,5-7,9,13,16-17,21H,3-4,8,10-12H2,1H3,(H2,25,26)(H,29,32)/t16?,17?,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human KLKB1 (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295...				US Patent US10501440 (2019) BindingDB Entry DOI: 10.7270/Q2QR50JS
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM423179 (N-[(5R)-1-Amino-5H,6H,7H-cyclopenta[c]pyridin-5-yl...) Show SMILES Cc1nc(ccc1Cn1cc(cn1)C(=O)N[C@@H]1CCc2c1ccnc2N)N1CC2C(C1)C2(F)F |r| Show InChI InChI=1S/C24H25F2N7O/c1-13-14(2-5-21(30-13)32-11-18-19(12-32)24(18,25)26)9-33-10-15(8-29-33)23(34)31-20-4-3-17-16(20)6-7-28-22(17)27/h2,5-8,10,18-20H,3-4,9,11-12H2,1H3,(H2,27,28)(H,31,34)/t18?,19?,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human KLKB1 (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295...				US Patent US10501440 (2019) BindingDB Entry DOI: 10.7270/Q2QR50JS
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM423174 (US10501440, Example 5) Show SMILES Cc1nc(ccc1Cn1cc(nn1)C(=O)N[C@@H]1CCc2c1ccnc2N)N1CC2CC2C1 |r| Show InChI InChI=1S/C23H26N8O/c1-13-14(2-5-21(26-13)30-9-15-8-16(15)10-30)11-31-12-20(28-29-31)23(32)27-19-4-3-18-17(19)6-7-25-22(18)24/h2,5-7,12,15-16,19H,3-4,8-11H2,1H3,(H2,24,25)(H,27,32)/t15?,16?,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human KLKB1 (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295...				US Patent US10501440 (2019) BindingDB Entry DOI: 10.7270/Q2QR50JS
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM423173 (US10501440, Example 4) Show SMILES Cc1nc(ccc1Cn1cc(C(=O)N[C@@H]2CCc3c2ccnc3N)c(n1)C(F)(F)F)N1CC2CC2C1 |r| Show InChI InChI=1S/C25H26F3N7O/c1-13-14(2-5-21(31-13)34-9-15-8-16(15)10-34)11-35-12-19(22(33-35)25(26,27)28)24(36)32-20-4-3-18-17(20)6-7-30-23(18)29/h2,5-7,12,15-16,20H,3-4,8-11H2,1H3,(H2,29,30)(H,32,36)/t15?,16?,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human KLKB1 (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295...				US Patent US10501440 (2019) BindingDB Entry DOI: 10.7270/Q2QR50JS
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM423180 (N-[(5R)-1-Amino-3-methyl-5H,6H,7H-cyclopenta[c]pyr...) Show SMILES Cc1cc2[C@@H](CCc2c(N)n1)NC(=O)c1cnn(Cc2ccc(nc2C)N2CC3C(C2)C3(F)F)c1 |r| Show InChI InChI=1S/C25H27F2N7O/c1-13-7-18-17(23(28)30-13)4-5-21(18)32-24(35)16-8-29-34(10-16)9-15-3-6-22(31-14(15)2)33-11-19-20(12-33)25(19,26)27/h3,6-8,10,19-21H,4-5,9,11-12H2,1-2H3,(H2,28,30)(H,32,35)/t19?,20?,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human KLKB1 (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295...				US Patent US10501440 (2019) BindingDB Entry DOI: 10.7270/Q2QR50JS
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM423185 (N-[(5R)-1-Amino-3-methyl-5H,6H,7H-cyclopenta[c]pyr...) Show SMILES COc1ccc(CNc2nc(C)cc3[C@@H](CCc23)NC(=O)c2cn(Cc3ccc(nc3C)N3CC4CC4C3)nc2C)c(OC)c1 |r| Show InChI InChI=1S/C35H41N7O3/c1-20-12-29-28(34(37-20)36-15-23-6-8-27(44-4)14-32(23)45-5)9-10-31(29)39-35(43)30-19-42(40-22(30)3)18-24-7-11-33(38-21(24)2)41-16-25-13-26(25)17-41/h6-8,11-12,14,19,25-26,31H,9-10,13,15-18H2,1-5H3,(H,36,37)(H,39,43)/t25?,26?,31-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human KLKB1 (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295...				US Patent US10501440 (2019) BindingDB Entry DOI: 10.7270/Q2QR50JS
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM423187 (N-[(5R)-1-Amino-3-methyl-5H,6H,7H-cyclopenta[c]pyr...) Show SMILES Cc1cc2[C@@H](CCc2c(N)n1)NC(=O)c1cnn(Cc2cnc(nc2C)N2CC3CC3C2)c1 |r| Show InChI InChI=1S/C24H28N8O/c1-13-5-20-19(22(25)28-13)3-4-21(20)30-23(33)18-8-27-32(12-18)11-17-7-26-24(29-14(17)2)31-9-15-6-16(15)10-31/h5,7-8,12,15-16,21H,3-4,6,9-11H2,1-2H3,(H2,25,28)(H,30,33)/t15?,16?,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human KLKB1 (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295...				US Patent US10501440 (2019) BindingDB Entry DOI: 10.7270/Q2QR50JS
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM423188 (N-[(5R)-1-Amino-3-methyl-5H,6H,7H-cyclopenta[c]pyr...) Show SMILES Cc1cc2[C@@H](CCc2c(N)n1)NC(=O)c1cn(Cc2cnc(nc2C)N2CC3CC3C2)nn1 |r| Show InChI InChI=1S/C23H27N9O/c1-12-5-18-17(21(24)26-12)3-4-19(18)28-22(33)20-11-32(30-29-20)10-16-7-25-23(27-13(16)2)31-8-14-6-15(14)9-31/h5,7,11,14-15,19H,3-4,6,8-10H2,1-2H3,(H2,24,26)(H,28,33)/t14?,15?,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human KLKB1 (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295...				US Patent US10501440 (2019) BindingDB Entry DOI: 10.7270/Q2QR50JS
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM423182 (US10501440, Example 12) Show SMILES Cc1nc(ccc1Cn1cc(cn1)C(=O)N[C@@H]1CCc2c1ccnc2N)N1C[C@H]2[C@@H](CO)[C@H]2C1 |r| Show InChI InChI=1S/C25H29N7O2/c1-14-15(2-5-23(29-14)31-11-19-20(12-31)21(19)13-33)9-32-10-16(8-28-32)25(34)30-22-4-3-18-17(22)6-7-27-24(18)26/h2,5-8,10,19-22,33H,3-4,9,11-13H2,1H3,(H2,26,27)(H,30,34)/t19-,20+,21-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human KLKB1 (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295...				US Patent US10501440 (2019) BindingDB Entry DOI: 10.7270/Q2QR50JS
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM423184 (US10501440, Example 14) Show SMILES Cc1nc(ccc1Cn1cc(cn1)C(=O)N[C@@H]1CCc2c1ccnc2N)N1CCC2(CC2)C1 |r| Show InChI InChI=1S/C25H29N7O/c1-16-17(2-5-22(29-16)31-11-9-25(15-31)7-8-25)13-32-14-18(12-28-32)24(33)30-21-4-3-20-19(21)6-10-27-23(20)26/h2,5-6,10,12,14,21H,3-4,7-9,11,13,15H2,1H3,(H2,26,27)(H,30,33)/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human KLKB1 (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295...				US Patent US10501440 (2019) BindingDB Entry DOI: 10.7270/Q2QR50JS
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM423181 (US10501440, Example 11) Show SMILES Cc1nc(ncc1Cn1cc(cn1)C(=O)N[C@@H]1CCc2c1ccnc2N)N1CC2CC2C1 |r| Show InChI InChI=1S/C23H26N8O/c1-13-16(7-26-23(28-13)30-9-14-6-15(14)10-30)11-31-12-17(8-27-31)22(32)29-20-3-2-19-18(20)4-5-25-21(19)24/h4-5,7-8,12,14-15,20H,2-3,6,9-11H2,1H3,(H2,24,25)(H,29,32)/t14?,15?,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human KLKB1 (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295...				US Patent US10501440 (2019) BindingDB Entry DOI: 10.7270/Q2QR50JS
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM423176 (US10501440, Example 7) Show SMILES Cc1nc(ccc1Cn1cc(C(=O)N[C@@H]2CCc3c2ccnc3N)c(n1)C(F)(F)F)N1CC2C(C1)C2(F)F |r| Show InChI InChI=1S/C25H24F5N7O/c1-12-13(2-5-20(33-12)36-10-17-18(11-36)24(17,26)27)8-37-9-16(21(35-37)25(28,29)30)23(38)34-19-4-3-15-14(19)6-7-32-22(15)31/h2,5-7,9,17-19H,3-4,8,10-11H2,1H3,(H2,31,32)(H,34,38)/t17?,18?,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human KLKB1 (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295...				US Patent US10501440 (2019) BindingDB Entry DOI: 10.7270/Q2QR50JS
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM423186 (N-[(5R)-1-Amino-5H,6H,7H-cyclopenta[c]pyridin-5-yl...) Show SMILES Cc1nc(ncc1Cn1cc(nn1)C(=O)N[C@@H]1CCc2c1ccnc2N)N1CC2CC2C1 |r| Show InChI InChI=1S/C22H25N9O/c1-12-15(7-25-22(26-12)30-8-13-6-14(13)9-30)10-31-11-19(28-29-31)21(32)27-18-3-2-17-16(18)4-5-24-20(17)23/h4-5,7,11,13-14,18H,2-3,6,8-10H2,1H3,(H2,23,24)(H,27,32)/t13?,14?,18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human KLKB1 (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295...				US Patent US10501440 (2019) BindingDB Entry DOI: 10.7270/Q2QR50JS
					More data for this Ligand-Target Pair
Plasma kallikrein (Rattus norvegicus)	BDBM423170 (US10501440, Example 2) Show SMILES Cc1cc2[C@@H](CCc2c(N)n1)NC(=O)c1cnn(Cc2ccc(nc2C)N2CC3CC3C2)c1 |r| Show InChI InChI=1S/C25H29N7O/c1-14-7-21-20(24(26)28-14)4-5-22(21)30-25(33)19-9-27-32(13-19)12-16-3-6-23(29-15(16)2)31-10-17-8-18(17)11-31/h3,6-7,9,13,17-18,22H,4-5,8,10-12H2,1-2H3,(H2,26,28)(H,30,33)/t17?,18?,22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human KLKB1 (0.01 U/mL; Enzyme Research Laboratories) or rat KLKB1 (0.625 nM; produced in-house) was incubated for 1 h at room temperature with 0.10 ...				US Patent US10501440 (2019) BindingDB Entry DOI: 10.7270/Q2QR50JS
					More data for this Ligand-Target Pair
Plasma kallikrein (Rattus norvegicus)	BDBM423180 (N-[(5R)-1-Amino-3-methyl-5H,6H,7H-cyclopenta[c]pyr...) Show SMILES Cc1cc2[C@@H](CCc2c(N)n1)NC(=O)c1cnn(Cc2ccc(nc2C)N2CC3C(C2)C3(F)F)c1 |r| Show InChI InChI=1S/C25H27F2N7O/c1-13-7-18-17(23(28)30-13)4-5-21(18)32-24(35)16-8-29-34(10-16)9-15-3-6-22(31-14(15)2)33-11-19-20(12-33)25(19,26)27/h3,6-8,10,19-21H,4-5,9,11-12H2,1-2H3,(H2,28,30)(H,32,35)/t19?,20?,21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human KLKB1 (0.01 U/mL; Enzyme Research Laboratories) or rat KLKB1 (0.625 nM; produced in-house) was incubated for 1 h at room temperature with 0.10 ...				US Patent US10501440 (2019) BindingDB Entry DOI: 10.7270/Q2QR50JS
					More data for this Ligand-Target Pair
Plasma kallikrein (Rattus norvegicus)	BDBM423183 (N-[(5R)-1-Amino-5H,6H,7H-cyclopenta[c]pyridin-5-yl...) Show SMILES COc1ccc(CNc2nccc3[C@@H](CCc23)NC(=O)c2cnn(Cc3ccc(nc3C)N3C[C@H]4[C@@H](C3)[C@H]4C#N)c2)c(OC)c1 |r| Show InChI InChI=1S/C34H36N8O3/c1-20-22(5-9-32(39-20)41-18-28-27(13-35)29(28)19-41)16-42-17-23(15-38-42)34(43)40-30-8-7-26-25(30)10-11-36-33(26)37-14-21-4-6-24(44-2)12-31(21)45-3/h4-6,9-12,15,17,27-30H,7-8,14,16,18-19H2,1-3H3,(H,36,37)(H,40,43)/t27-,28+,29-,30-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human KLKB1 (0.01 U/mL; Enzyme Research Laboratories) or rat KLKB1 (0.625 nM; produced in-house) was incubated for 1 h at room temperature with 0.10 ...				US Patent US10501440 (2019) BindingDB Entry DOI: 10.7270/Q2QR50JS
					More data for this Ligand-Target Pair
Plasma kallikrein (Rattus norvegicus)	BDBM423169 (N-[(5R)-1-Amino-5H,6H,7H-cyclopenta[c]pyridin-5-yl...) Show SMILES Cc1nc(ccc1Cn1cc(cn1)C(=O)N[C@@H]1CCc2c1ccnc2N)N1CC2CC2C1 |r| Show InChI InChI=1S/C24H27N7O/c1-14-15(2-5-22(28-14)30-10-16-8-17(16)11-30)12-31-13-18(9-27-31)24(32)29-21-4-3-20-19(21)6-7-26-23(20)25/h2,5-7,9,13,16-17,21H,3-4,8,10-12H2,1H3,(H2,25,26)(H,29,32)/t16?,17?,21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human KLKB1 (0.01 U/mL; Enzyme Research Laboratories) or rat KLKB1 (0.625 nM; produced in-house) was incubated for 1 h at room temperature with 0.10 ...				US Patent US10501440 (2019) BindingDB Entry DOI: 10.7270/Q2QR50JS
					More data for this Ligand-Target Pair
Plasma kallikrein (Rattus norvegicus)	BDBM423185 (N-[(5R)-1-Amino-3-methyl-5H,6H,7H-cyclopenta[c]pyr...) Show SMILES COc1ccc(CNc2nc(C)cc3[C@@H](CCc23)NC(=O)c2cn(Cc3ccc(nc3C)N3CC4CC4C3)nc2C)c(OC)c1 |r| Show InChI InChI=1S/C35H41N7O3/c1-20-12-29-28(34(37-20)36-15-23-6-8-27(44-4)14-32(23)45-5)9-10-31(29)39-35(43)30-19-42(40-22(30)3)18-24-7-11-33(38-21(24)2)41-16-25-13-26(25)17-41/h6-8,11-12,14,19,25-26,31H,9-10,13,15-18H2,1-5H3,(H,36,37)(H,39,43)/t25?,26?,31-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human KLKB1 (0.01 U/mL; Enzyme Research Laboratories) or rat KLKB1 (0.625 nM; produced in-house) was incubated for 1 h at room temperature with 0.10 ...				US Patent US10501440 (2019) BindingDB Entry DOI: 10.7270/Q2QR50JS
					More data for this Ligand-Target Pair
Plasma kallikrein (Rattus norvegicus)	BDBM423195 (1-[2-Methyl-6-((1S,5R,6R)-6-methyl-3-aza-bicyclo[3...) Show SMILES C[C@@H]1[C@@H]2CN(C[C@H]12)c1ccc(Cn2cc(cn2)C(=O)N[C@@H]2CCc3c2ccnc3N)c(C)n1 |r| Show InChI InChI=1S/C25H29N7O/c1-14-20-12-31(13-21(14)20)23-6-3-16(15(2)29-23)10-32-11-17(9-28-32)25(33)30-22-5-4-19-18(22)7-8-27-24(19)26/h3,6-9,11,14,20-22H,4-5,10,12-13H2,1-2H3,(H2,26,27)(H,30,33)/t14-,20+,21-,22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human KLKB1 (0.01 U/mL; Enzyme Research Laboratories) or rat KLKB1 (0.625 nM; produced in-house) was incubated for 1 h at room temperature with 0.10 ...				US Patent US10501440 (2019) BindingDB Entry DOI: 10.7270/Q2QR50JS
					More data for this Ligand-Target Pair
Plasma kallikrein (Rattus norvegicus)	BDBM423179 (N-[(5R)-1-Amino-5H,6H,7H-cyclopenta[c]pyridin-5-yl...) Show SMILES Cc1nc(ccc1Cn1cc(cn1)C(=O)N[C@@H]1CCc2c1ccnc2N)N1CC2C(C1)C2(F)F |r| Show InChI InChI=1S/C24H25F2N7O/c1-13-14(2-5-21(30-13)32-11-18-19(12-32)24(18,25)26)9-33-10-15(8-29-33)23(34)31-20-4-3-17-16(20)6-7-28-22(17)27/h2,5-8,10,18-20H,3-4,9,11-12H2,1H3,(H2,27,28)(H,31,34)/t18?,19?,20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human KLKB1 (0.01 U/mL; Enzyme Research Laboratories) or rat KLKB1 (0.625 nM; produced in-house) was incubated for 1 h at room temperature with 0.10 ...				US Patent US10501440 (2019) BindingDB Entry DOI: 10.7270/Q2QR50JS
					More data for this Ligand-Target Pair
Plasma kallikrein (Rattus norvegicus)	BDBM423171 (US10501440, Example 3) Show SMILES Cc1nn(Cc2ccc(nc2C)N2CC3CC3C2)cc1C(=O)N[C@@H]1CCc2c1ccnc2N |r| Show InChI InChI=1S/C25H29N7O/c1-14-16(3-6-23(28-14)31-10-17-9-18(17)11-31)12-32-13-21(15(2)30-32)25(33)29-22-5-4-20-19(22)7-8-27-24(20)26/h3,6-8,13,17-18,22H,4-5,9-12H2,1-2H3,(H2,26,27)(H,29,33)/t17?,18?,22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human KLKB1 (0.01 U/mL; Enzyme Research Laboratories) or rat KLKB1 (0.625 nM; produced in-house) was incubated for 1 h at room temperature with 0.10 ...				US Patent US10501440 (2019) BindingDB Entry DOI: 10.7270/Q2QR50JS
					More data for this Ligand-Target Pair
Plasma kallikrein (Rattus norvegicus)	BDBM423174 (US10501440, Example 5) Show SMILES Cc1nc(ccc1Cn1cc(nn1)C(=O)N[C@@H]1CCc2c1ccnc2N)N1CC2CC2C1 |r| Show InChI InChI=1S/C23H26N8O/c1-13-14(2-5-21(26-13)30-9-15-8-16(15)10-30)11-31-12-20(28-29-31)23(32)27-19-4-3-18-17(19)6-7-25-22(18)24/h2,5-7,12,15-16,19H,3-4,8-11H2,1H3,(H2,24,25)(H,27,32)/t15?,16?,19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human KLKB1 (0.01 U/mL; Enzyme Research Laboratories) or rat KLKB1 (0.625 nM; produced in-house) was incubated for 1 h at room temperature with 0.10 ...				US Patent US10501440 (2019) BindingDB Entry DOI: 10.7270/Q2QR50JS
					More data for this Ligand-Target Pair
Plasma kallikrein (Rattus norvegicus)	BDBM423173 (US10501440, Example 4) Show SMILES Cc1nc(ccc1Cn1cc(C(=O)N[C@@H]2CCc3c2ccnc3N)c(n1)C(F)(F)F)N1CC2CC2C1 |r| Show InChI InChI=1S/C25H26F3N7O/c1-13-14(2-5-21(31-13)34-9-15-8-16(15)10-34)11-35-12-19(22(33-35)25(26,27)28)24(36)32-20-4-3-18-17(20)6-7-30-23(18)29/h2,5-7,12,15-16,20H,3-4,8-11H2,1H3,(H2,29,30)(H,32,36)/t15?,16?,20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human KLKB1 (0.01 U/mL; Enzyme Research Laboratories) or rat KLKB1 (0.625 nM; produced in-house) was incubated for 1 h at room temperature with 0.10 ...				US Patent US10501440 (2019) BindingDB Entry DOI: 10.7270/Q2QR50JS
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM181457 (US9139577, 3.018 | US9708274, 3.018) Show SMILES C[C@H](CN)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r| Show InChI InChI=1S/C20H24FN5O2S/c1-12-7-15(26-29(3,4)27)9-17-19(12)20(24-11-23-17)25-16-6-5-14(21)8-18(16)28-13(2)10-22/h5-9,11,13H,10,22H2,1-4H3,(H,23,24,25)/t13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The inhibition of kinase activity of MNK2a was assessed using pre-activated GST-MNK2a. The white, 384-well OptiPlate F plates were purchased from Per...				US Patent US9139577 (2015) BindingDB Entry DOI: 10.7270/Q2K64GT1
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM181478 (US9139577, 3.039 | US9708274, 3.039) Show SMILES Cc1cc(cc2ncnc(Nc3ccc(F)cc3OCc3ccon3)c12)N=S(C)(C)=O Show InChI InChI=1S/C21H20FN5O3S/c1-13-8-16(27-31(2,3)28)10-18-20(13)21(24-12-23-18)25-17-5-4-14(22)9-19(17)29-11-15-6-7-30-26-15/h4-10,12H,11H2,1-3H3,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	25
EVOTEC INTERNATIONAL GMBH US Patent					Assay Description The inhibition of kinase activity of MNK2a was assessed using pre-activated GST-MNK2a. The white, 384-well OptiPlate F plates were purchased from Per...				US Patent US9708274 (2017) BindingDB Entry DOI: 10.7270/Q2VX0JJG
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM181486 (US9139577, 3.047 | US9708274, 3.047) Show SMILES C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCCC1)C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C23H22F5N5O3S/c1-13(22(34)29-11-23(26,27)28)36-19-8-14(24)4-5-17(19)32-21-20-16(25)9-15(10-18(20)30-12-31-21)33-37(35)6-2-3-7-37/h4-5,8-10,12-13H,2-3,6-7,11H2,1H3,(H,29,34)(H,30,31,32)/t13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	25
EVOTEC INTERNATIONAL GMBH US Patent					Assay Description The inhibition of kinase activity of MNK2a was assessed using pre-activated GST-MNK2a. The white, 384-well OptiPlate F plates were purchased from Per...				US Patent US9708274 (2017) BindingDB Entry DOI: 10.7270/Q2VX0JJG
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM181493 (US9139577, 3.054 | US9708274, 3.054) Show SMILES C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)NC(C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H22F7N5O3S/c1-11-7-14(35-39(3,4)37)9-16-18(11)19(32-10-31-16)33-15-6-5-13(24)8-17(15)38-12(2)20(36)34-21(22(25,26)27)23(28,29)30/h5-10,12,21H,1-4H3,(H,34,36)(H,31,32,33)/t12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	25
EVOTEC INTERNATIONAL GMBH US Patent					Assay Description The inhibition of kinase activity of MNK2a was assessed using pre-activated GST-MNK2a. The white, 384-well OptiPlate F plates were purchased from Per...				US Patent US9708274 (2017) BindingDB Entry DOI: 10.7270/Q2VX0JJG
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM181521 (US9139577, 4.027 | US9708274, 4.027) Show SMILES C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)NCC#C |r| Show InChI InChI=1S/C25H26FN5O3S/c1-4-9-27-25(32)17(3)34-22-13-18(26)7-8-20(22)30-24-23-16(2)12-19(14-21(23)28-15-29-24)31-35(33)10-5-6-11-35/h1,7-8,12-15,17H,5-6,9-11H2,2-3H3,(H,27,32)(H,28,29,30)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	25
EVOTEC INTERNATIONAL GMBH US Patent					Assay Description The inhibition of kinase activity of MNK2a was assessed using pre-activated GST-MNK2a. The white, 384-well OptiPlate F plates were purchased from Per...				US Patent US9708274 (2017) BindingDB Entry DOI: 10.7270/Q2VX0JJG
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM181530 (US9139577, 4.036 | US9708274, 4.036) Show SMILES C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)NCC(F)F |r| Show InChI InChI=1S/C22H24F3N5O3S/c1-12-7-15(30-34(3,4)32)9-17-20(12)21(28-11-27-17)29-16-6-5-14(23)8-18(16)33-13(2)22(31)26-10-19(24)25/h5-9,11,13,19H,10H2,1-4H3,(H,26,31)(H,27,28,29)/t13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	25
EVOTEC INTERNATIONAL GMBH US Patent					Assay Description The inhibition of kinase activity of MNK2a was assessed using pre-activated GST-MNK2a. The white, 384-well OptiPlate F plates were purchased from Per...				US Patent US9708274 (2017) BindingDB Entry DOI: 10.7270/Q2VX0JJG
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM181533 (US9139577, 4.039 | US9708274, 4.039) Show SMILES C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)NCC#N |r| Show InChI InChI=1S/C22H23FN6O3S/c1-13-9-16(29-33(3,4)31)11-18-20(13)21(27-12-26-18)28-17-6-5-15(23)10-19(17)32-14(2)22(30)25-8-7-24/h5-6,9-12,14H,8H2,1-4H3,(H,25,30)(H,26,27,28)/t14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	25
EVOTEC INTERNATIONAL GMBH US Patent					Assay Description The inhibition of kinase activity of MNK2a was assessed using pre-activated GST-MNK2a. The white, 384-well OptiPlate F plates were purchased from Per...				US Patent US9708274 (2017) BindingDB Entry DOI: 10.7270/Q2VX0JJG
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM181536 (US9139577, 4.042 | US9708274, 4.042) Show SMILES CC(C)NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r| Show InChI InChI=1S/C25H30FN5O3S/c1-15(2)29-25(32)17(4)34-22-12-18(26)7-8-20(22)30-24-23-16(3)11-19(13-21(23)27-14-28-24)31-35(33)9-5-6-10-35/h7-8,11-15,17H,5-6,9-10H2,1-4H3,(H,29,32)(H,27,28,30)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	25
EVOTEC INTERNATIONAL GMBH US Patent					Assay Description The inhibition of kinase activity of MNK2a was assessed using pre-activated GST-MNK2a. The white, 384-well OptiPlate F plates were purchased from Per...				US Patent US9708274 (2017) BindingDB Entry DOI: 10.7270/Q2VX0JJG
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM181544 (US9139577, 4.050 | US9708274, 4.050) Show SMILES CCC(C)NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r| Show InChI InChI=1S/C26H32FN5O3S/c1-5-17(3)30-26(33)18(4)35-23-13-19(27)8-9-21(23)31-25-24-16(2)12-20(14-22(24)28-15-29-25)32-36(34)10-6-7-11-36/h8-9,12-15,17-18H,5-7,10-11H2,1-4H3,(H,30,33)(H,28,29,31)/t17?,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	25
EVOTEC INTERNATIONAL GMBH US Patent					Assay Description The inhibition of kinase activity of MNK2a was assessed using pre-activated GST-MNK2a. The white, 384-well OptiPlate F plates were purchased from Per...				US Patent US9708274 (2017) BindingDB Entry DOI: 10.7270/Q2VX0JJG
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM181565 (US9139577, 4.071 | US9708274, 4.071) Show SMILES C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C22H23F4N5O3S/c1-12-7-15(31-35(3,4)33)9-17-19(12)20(29-11-28-17)30-16-6-5-14(23)8-18(16)34-13(2)21(32)27-10-22(24,25)26/h5-9,11,13H,10H2,1-4H3,(H,27,32)(H,28,29,30)/t13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	25
EVOTEC INTERNATIONAL GMBH US Patent					Assay Description The inhibition of kinase activity of MNK2a was assessed using pre-activated GST-MNK2a. The white, 384-well OptiPlate F plates were purchased from Per...				US Patent US9708274 (2017) BindingDB Entry DOI: 10.7270/Q2VX0JJG
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM181390 (US9139577, 1.021 | US9708274, 1.021) Show SMILES FCC(CF)Oc1cc(F)ccc1Nc1ncnc2cc(cc(c12)C(F)(F)F)N=S1(=O)CCOCC1 Show InChI InChI=1S/C22H20F6N4O3S/c23-10-15(11-24)35-19-7-13(25)1-2-17(19)31-21-20-16(22(26,27)28)8-14(9-18(20)29-12-30-21)32-36(33)5-3-34-4-6-36/h1-2,7-9,12,15H,3-6,10-11H2,(H,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The inhibition of kinase activity of MNK2a was assessed using pre-activated GST-MNK2a. The white, 384-well OptiPlate F plates were purchased from Per...				US Patent US9139577 (2015) BindingDB Entry DOI: 10.7270/Q2K64GT1
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM181397 (US9139577, 2.005 | US9708274, 2.005) Show SMILES Cc1cc(cc2ncnc(Nc3cccnc3OCC3CCOC3)c12)N=S1(=O)CCCC1 Show InChI InChI=1S/C23H27N5O3S/c1-16-11-18(28-32(29)9-2-3-10-32)12-20-21(16)22(26-15-25-20)27-19-5-4-7-24-23(19)31-14-17-6-8-30-13-17/h4-5,7,11-12,15,17H,2-3,6,8-10,13-14H2,1H3,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The inhibition of kinase activity of MNK2a was assessed using pre-activated GST-MNK2a. The white, 384-well OptiPlate F plates were purchased from Per...				US Patent US9139577 (2015) BindingDB Entry DOI: 10.7270/Q2K64GT1
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM181400 (US9139577, 2.008 | US9708274, 2.008) Show SMILES C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)c1cc(C)no1 |r| Show InChI InChI=1S/C23H24FN5O3S/c1-13-8-17(29-33(4,5)30)11-19-22(13)23(26-12-25-19)27-18-7-6-16(24)10-21(18)31-15(3)20-9-14(2)28-32-20/h6-12,15H,1-5H3,(H,25,26,27)/t15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The inhibition of kinase activity of MNK2a was assessed using pre-activated GST-MNK2a. The white, 384-well OptiPlate F plates were purchased from Per...				US Patent US9139577 (2015) BindingDB Entry DOI: 10.7270/Q2K64GT1
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM181401 (US9139577, 2.009 | US9708274, 2.009) Show SMILES C[C@@H](Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)c1cc(C)no1 |r| Show InChI InChI=1S/C24H26N6O3S/c1-15-11-18(30-34(31)9-4-5-10-34)13-20-22(15)23(27-14-26-20)28-19-7-6-8-25-24(19)32-17(3)21-12-16(2)29-33-21/h6-8,11-14,17H,4-5,9-10H2,1-3H3,(H,26,27,28)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The inhibition of kinase activity of MNK2a was assessed using pre-activated GST-MNK2a. The white, 384-well OptiPlate F plates were purchased from Per...				US Patent US9139577 (2015) BindingDB Entry DOI: 10.7270/Q2K64GT1
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM181408 (US9139577, 2.016 | US9708274, 2.016) Show SMILES C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCNCC1)c1cc(C)no1 |r| Show InChI InChI=1S/C25H27FN6O3S/c1-15-10-19(32-36(33)8-6-27-7-9-36)13-21-24(15)25(29-14-28-21)30-20-5-4-18(26)12-23(20)34-17(3)22-11-16(2)31-35-22/h4-5,10-14,17,27H,6-9H2,1-3H3,(H,28,29,30)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The inhibition of kinase activity of MNK2a was assessed using pre-activated GST-MNK2a. The white, 384-well OptiPlate F plates were purchased from Per...				US Patent US9139577 (2015) BindingDB Entry DOI: 10.7270/Q2K64GT1
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM181410 (US9139577, 2.018 | US9708274, 2.018) Show SMILES C[C@@H](Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)c1cc(C)no1 |r| Show InChI InChI=1S/C22H24N6O3S/c1-13-9-16(28-32(4,5)29)11-18-20(13)21(25-12-24-18)26-17-7-6-8-23-22(17)30-15(3)19-10-14(2)27-31-19/h6-12,15H,1-5H3,(H,24,25,26)/t15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The inhibition of kinase activity of MNK2a was assessed using pre-activated GST-MNK2a. The white, 384-well OptiPlate F plates were purchased from Per...				US Patent US9139577 (2015) BindingDB Entry DOI: 10.7270/Q2K64GT1
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM181411 (US9139577, 2.019 | US9708274, 2.019) Show SMILES C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CC[C@H](N)C1)C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C24H26F4N6O3S/c1-13-7-17(34-38(36)6-5-16(29)10-38)9-19-21(13)22(32-12-31-19)33-18-4-3-15(25)8-20(18)37-14(2)23(35)30-11-24(26,27)28/h3-4,7-9,12,14,16H,5-6,10-11,29H2,1-2H3,(H,30,35)(H,31,32,33)/t14-,16+,38?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The inhibition of kinase activity of MNK2a was assessed using pre-activated GST-MNK2a. The white, 384-well OptiPlate F plates were purchased from Per...				US Patent US9139577 (2015) BindingDB Entry DOI: 10.7270/Q2K64GT1
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM181418 (US9139577, 2.026 | US9708274, 2.026) Show SMILES C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CC(C)(C)C1)C(=O)NCC#N |r| Show InChI InChI=1S/C24H24F2N6O3S/c1-14(23(33)28-7-6-27)35-20-8-15(25)4-5-18(20)31-22-21-17(26)9-16(10-19(21)29-13-30-22)32-36(34)11-24(2,3)12-36/h4-5,8-10,13-14H,7,11-12H2,1-3H3,(H,28,33)(H,29,30,31)/t14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The inhibition of kinase activity of MNK2a was assessed using pre-activated GST-MNK2a. The white, 384-well OptiPlate F plates were purchased from Per...				US Patent US9139577 (2015) BindingDB Entry DOI: 10.7270/Q2K64GT1
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM181423 (US9139577, 2.032 | US9708274, 2.032) Show SMILES COC(=O)N1CC2(C1)CS(=O)(C2)=Nc1cc(C)c2c(Nc3ccc(F)cc3O[C@H](C)C(=O)NCC(F)(F)F)ncnc2c1 |r| Show InChI InChI=1S/C27H28F4N6O5S/c1-15-6-18(36-43(40)12-26(13-43)10-37(11-26)25(39)41-3)8-20-22(15)23(34-14-33-20)35-19-5-4-17(28)7-21(19)42-16(2)24(38)32-9-27(29,30)31/h4-8,14,16H,9-13H2,1-3H3,(H,32,38)(H,33,34,35)/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The inhibition of kinase activity of MNK2a was assessed using pre-activated GST-MNK2a. The white, 384-well OptiPlate F plates were purchased from Per...				US Patent US9139577 (2015) BindingDB Entry DOI: 10.7270/Q2K64GT1
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM181425 (US9139577, 2.034 | US9708274, 2.034) Show SMILES C[C@@H](Oc1cc(Cl)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CC(C)(C)C1)C(=O)N[C@@H](C)C(F)(F)F |r| Show InChI InChI=1S/C26H29ClF3N5O3S/c1-14-8-18(35-39(37)11-25(4,5)12-39)10-20-22(14)23(32-13-31-20)34-19-7-6-17(27)9-21(19)38-15(2)24(36)33-16(3)26(28,29)30/h6-10,13,15-16H,11-12H2,1-5H3,(H,33,36)(H,31,32,34)/t15-,16+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The inhibition of kinase activity of MNK2a was assessed using pre-activated GST-MNK2a. The white, 384-well OptiPlate F plates were purchased from Per...				US Patent US9139577 (2015) BindingDB Entry DOI: 10.7270/Q2K64GT1
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM181432 (US9139577, 2.041 | US9708274, 2.041) Show SMILES C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)NC(C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C24H22F7N5O3S/c1-12-8-15(36-40(38)6-3-7-40)10-17-19(12)20(33-11-32-17)34-16-5-4-14(25)9-18(16)39-13(2)21(37)35-22(23(26,27)28)24(29,30)31/h4-5,8-11,13,22H,3,6-7H2,1-2H3,(H,35,37)(H,32,33,34)/t13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The inhibition of kinase activity of MNK2a was assessed using pre-activated GST-MNK2a. The white, 384-well OptiPlate F plates were purchased from Per...				US Patent US9139577 (2015) BindingDB Entry DOI: 10.7270/Q2K64GT1
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM181435 (US9139577, 2.044 | US9708274, 2.044) Show SMILES C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CC(C)(C)C1)C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C25H27F4N5O3S/c1-14-7-17(34-38(36)11-24(3,4)12-38)9-19-21(14)22(32-13-31-19)33-18-6-5-16(26)8-20(18)37-15(2)23(35)30-10-25(27,28)29/h5-9,13,15H,10-12H2,1-4H3,(H,30,35)(H,31,32,33)/t15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The inhibition of kinase activity of MNK2a was assessed using pre-activated GST-MNK2a. The white, 384-well OptiPlate F plates were purchased from Per...				US Patent US9139577 (2015) BindingDB Entry DOI: 10.7270/Q2K64GT1
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM181436 (US9139577, 2.045 | US9708274, 2.045) Show SMILES C[C@@H](Oc1cc(Cl)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CC2(COC2)C1)C(=O)N[C@@H](C)C(F)(F)F |r| Show InChI InChI=1S/C26H27ClF3N5O4S/c1-14-6-18(35-40(37)11-25(12-40)9-38-10-25)8-20-22(14)23(32-13-31-20)34-19-5-4-17(27)7-21(19)39-15(2)24(36)33-16(3)26(28,29)30/h4-8,13,15-16H,9-12H2,1-3H3,(H,33,36)(H,31,32,34)/t15-,16+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The inhibition of kinase activity of MNK2a was assessed using pre-activated GST-MNK2a. The white, 384-well OptiPlate F plates were purchased from Per...				US Patent US9139577 (2015) BindingDB Entry DOI: 10.7270/Q2K64GT1
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM181444 (US9139577, 3.005 | US9708274, 3.005) Show SMILES Cc1cc(cc2ncnc(Nc3ccc(F)cc3OCC#N)c12)N=S(C)(C)=O Show InChI InChI=1S/C19H18FN5O2S/c1-12-8-14(25-28(2,3)26)10-16-18(12)19(23-11-22-16)24-15-5-4-13(20)9-17(15)27-7-6-21/h4-5,8-11H,7H2,1-3H3,(H,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The inhibition of kinase activity of MNK2a was assessed using pre-activated GST-MNK2a. The white, 384-well OptiPlate F plates were purchased from Per...				US Patent US9139577 (2015) BindingDB Entry DOI: 10.7270/Q2K64GT1
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 1131 total )  |  Next  |  Last  >>

Jump to: