Compile Data Set for Download or QSAR

Found 1372 hits with Last Name = 'frattini' and Initial = 's'   

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
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM171943 (US9085584, 113) Show SMILES Cc1nc2ccc(nc2n2c(nnc12)-c1cc(ccc1Cl)C1(O)CCCOC1)C1CC1 Show InChI InChI=1S/C23H22ClN5O2/c1-13-20-27-28-21(29(20)22-19(25-13)8-7-18(26-22)14-3-4-14)16-11-15(5-6-17(16)24)23(30)9-2-10-31-12-23/h5-8,11,14,30H,2-4,9-10,12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...				US Patent US9085584 (2015) BindingDB Entry DOI: 10.7270/Q27P8X54
					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)	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)	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)	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)	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)	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)	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
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
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM171929 (US9085584, 88) Show SMILES Cc1nc2ccc(nc2n2c(nnc12)-c1cc(ccc1Cl)C1(O)CCC1)C1CC1 Show InChI InChI=1S/C22H20ClN5O/c1-12-19-26-27-20(15-11-14(5-6-16(15)23)22(29)9-2-10-22)28(19)21-18(24-12)8-7-17(25-21)13-3-4-13/h5-8,11,13,29H,2-4,9-10H2,1H3	PDB UniProtKB/SwissProt antibodypedia 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 PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...				US Patent US9085584 (2015) BindingDB Entry DOI: 10.7270/Q27P8X54
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM171932 (US9085584, 91) Show SMILES CC(C)c1ccc2nc(C)c3nnc(-c4cc(ccc4Cl)C4(O)CCC4)n3c2n1 Show InChI InChI=1S/C22H22ClN5O/c1-12(2)17-7-8-18-21(25-17)28-19(13(3)24-18)26-27-20(28)15-11-14(5-6-16(15)23)22(29)9-4-10-22/h5-8,11-12,29H,4,9-10H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia 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 PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...				US Patent US9085584 (2015) BindingDB Entry DOI: 10.7270/Q27P8X54
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM441037 (US10640486, Example 84) Show SMILES Nc1nccc2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2)N2CC3C(C2)C3(F)F)c1 |r| Show InChI InChI=1S/C23H23F2N7O/c24-23(25)17-11-31(12-18(17)23)20-4-1-13(7-28-20)9-32-10-14(8-29-32)22(33)30-19-3-2-16-15(19)5-6-27-21(16)26/h1,4-8,10,17-19H,2-3,9,11-12H2,(H2,26,27)(H,30,33)/t17?,18?,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Förster/Flouresence...				US Patent US10640486 (2020) BindingDB Entry DOI: 10.7270/Q2X92F98
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM441028 (1-[6-(3-Aza-bicyclo[3.1.0]hex-3-yl)-pyridin-3-ylme...) Show SMILES Nc1nccc2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2)N2CC3CC3C2)c1 |r| Show InChI InChI=1S/C23H25N7O/c24-22-19-2-3-20(18(19)5-6-25-22)28-23(31)17-9-27-30(13-17)10-14-1-4-21(26-8-14)29-11-15-7-16(15)12-29/h1,4-6,8-9,13,15-16,20H,2-3,7,10-12H2,(H2,24,25)(H,28,31)/t15?,16?,20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Förster/Flouresence...				US Patent US10640486 (2020) BindingDB Entry DOI: 10.7270/Q2X92F98
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM441047 (US10640486, Example 53) Show SMILES Nc1nccc2C(CCc12)NC(=O)c1cnn(Cc2ccc(CN3C[C@H]4C[C@@H]4C3=O)c(c2)C(F)(F)F)c1 |r| Show InChI InChI=1S/C26H25F3N6O2/c27-26(28,29)21-7-14(1-2-15(21)11-34-12-16-8-20(16)25(34)37)10-35-13-17(9-32-35)24(36)33-22-4-3-19-18(22)5-6-31-23(19)30/h1-2,5-7,9,13,16,20,22H,3-4,8,10-12H2,(H2,30,31)(H,33,36)/t16-,20+,22?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Förster/Flouresence...				US Patent US10640486 (2020) BindingDB Entry DOI: 10.7270/Q2X92F98
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM441010 (US10640486, Example 50) Show SMILES Nc1nccc2C(CCc12)NC(=O)c1cn(Cc2ccc(CN3C[C@@H]4C[C@@H]4C3=O)cc2)nc1C(F)(F)F |r| Show InChI InChI=1S/C26H25F3N6O2/c27-26(28,29)22-20(24(36)32-21-6-5-18-17(21)7-8-31-23(18)30)13-35(33-22)11-15-3-1-14(2-4-15)10-34-12-16-9-19(16)25(34)37/h1-4,7-8,13,16,19,21H,5-6,9-12H2,(H2,30,31)(H,32,36)/t16-,19-,21?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Förster/Flouresence...				US Patent US10640486 (2020) BindingDB Entry DOI: 10.7270/Q2X92F98
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM441002 (US10640486, Example 42) Show SMILES Nc1nccc2[C@@H](CCc12)NC(=O)c1cn(Cc2cnc(cc2C(F)(F)F)N2CC3CC3C2)nn1 |r| Show InChI InChI=1S/C23H23F3N8O/c24-23(25,26)17-6-20(33-8-12-5-13(12)9-33)29-7-14(17)10-34-11-19(31-32-34)22(35)30-18-2-1-16-15(18)3-4-28-21(16)27/h3-4,6-7,11-13,18H,1-2,5,8-10H2,(H2,27,28)(H,30,35)/t12?,13?,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Förster/Flouresence...				US Patent US10640486 (2020) BindingDB Entry DOI: 10.7270/Q2X92F98
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM441001 (US10640486, Example 41) Show SMILES Nc1nccc2[C@@H](CCc12)NC(=O)c1cnn(Cc2cnc(cc2C(F)(F)F)N2CC3CC3C2)c1 |r| Show InChI InChI=1S/C24H24F3N7O/c25-24(26,27)19-6-21(33-9-13-5-14(13)10-33)30-7-15(19)11-34-12-16(8-31-34)23(35)32-20-2-1-18-17(20)3-4-29-22(18)28/h3-4,6-8,12-14,20H,1-2,5,9-11H2,(H2,28,29)(H,32,35)/t13?,14?,20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Förster/Flouresence...				US Patent US10640486 (2020) BindingDB Entry DOI: 10.7270/Q2X92F98
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM440998 (US10640486, Example 38) Show SMILES Nc1nccc2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(nc2C(F)(F)F)N2CC3CC3C2)nn1 |r| Show InChI InChI=1S/C23H23F3N8O/c24-23(25,26)20-12(1-4-19(30-20)33-8-13-7-14(13)9-33)10-34-11-18(31-32-34)22(35)29-17-3-2-16-15(17)5-6-28-21(16)27/h1,4-6,11,13-14,17H,2-3,7-10H2,(H2,27,28)(H,29,35)/t13?,14?,17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Förster/Flouresence...				US Patent US10640486 (2020) BindingDB Entry DOI: 10.7270/Q2X92F98
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM440996 (US10640486, Example 36) Show SMILES Nc1nccc2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2C(F)(F)F)N2CC3CC3C2)c1 |r| Show InChI InChI=1S/C24H24F3N7O/c25-24(26,27)21-13(1-4-20(32-21)33-9-14-7-15(14)10-33)11-34-12-16(8-30-34)23(35)31-19-3-2-18-17(19)5-6-29-22(18)28/h1,4-6,8,12,14-15,19H,2-3,7,9-11H2,(H2,28,29)(H,31,35)/t14?,15?,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Förster/Flouresence...				US Patent US10640486 (2020) BindingDB Entry DOI: 10.7270/Q2X92F98
					More data for this Ligand-Target Pair
Plasma kallikrein (Rattus norvegicus)	BDBM423189 (N-[(5R)-1-Amino-5H,6H,7H-cyclopenta[c]pyridin-5-yl...) Show SMILES Cc1nc(ccc1Cn1cc(C(=O)N[C@@H]2CCc3c2ccnc3N)c(n1)C(F)F)N1CC2CC2C1 |r| Show InChI InChI=1S/C25H27F2N7O/c1-13-14(2-5-21(30-13)33-9-15-8-16(15)10-33)11-34-12-19(22(32-34)23(26)27)25(35)31-20-4-3-18-17(20)6-7-29-24(18)28/h2,5-7,12,15-16,20,23H,3-4,8-11H2,1H3,(H2,28,29)(H,31,35)/t15?,16?,20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	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 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)	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 GoogleScholar AffyNet	PC cid PC sid UniChem	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 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)	BDBM423175 (US10501440, Example 6) Show SMILES CC(C)c1nn(Cc2ccc(nc2C)N2CC3CC3C2)cc1C(=O)N[C@@H]1CCc2c1ccnc2N |r| Show InChI InChI=1S/C27H33N7O/c1-15(2)25-22(27(35)31-23-6-5-21-20(23)8-9-29-26(21)28)14-34(32-25)13-17-4-7-24(30-16(17)3)33-11-18-10-19(18)12-33/h4,7-9,14-15,18-19,23H,5-6,10-13H2,1-3H3,(H2,28,29)(H,31,35)/t18?,19?,23-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	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 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 (Homo sapiens (Human))	BDBM412370 (US10399961, Example 15) Show SMILES Cc1cnn(Cc2ccc(Cn3cc(C(=O)N[C@@H]4CCc5c4ccnc5N)c(n3)C(F)(F)F)cc2)c1 |r| Show InChI InChI=1S/C25H24F3N7O/c1-15-10-31-34(11-15)12-16-2-4-17(5-3-16)13-35-14-20(22(33-35)25(26,27)28)24(36)32-21-7-6-19-18(21)8-9-30-23(19)29/h2-5,8-11,14,21H,6-7,12-13H2,1H3,(H2,29,30)(H,32,36)/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	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 Human KLKB1 (0.01 U/mL; Enzyme Research Laboratories) or rat KLKB1 (0.625 nM; produced in-house) was incubated for 1 hr at Room Temperature with 0.10...				US Patent US10399961 (2019) BindingDB Entry DOI: 10.7270/Q22Z17X8
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM171910 (US9085584, 69) Show SMILES Cc1nc2ccc(nc2n2c(nnc12)-c1cc(CCC(C)(C)O)ccc1Cl)C1CC1 Show InChI InChI=1S/C23H24ClN5O/c1-13-20-27-28-21(16-12-14(4-7-17(16)24)10-11-23(2,3)30)29(20)22-19(25-13)9-8-18(26-22)15-5-6-15/h4,7-9,12,15,30H,5-6,10-11H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia 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 PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...				US Patent US9085584 (2015) BindingDB Entry DOI: 10.7270/Q27P8X54
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM171890 (US9085584, 56 | US9085584, 56a | US9085584, 56b | ...) Show SMILES Cc1nc2ccc(nc2n2c(nnc12)-c1cc(OC2COCC2O)ccc1Cl)C1CC1 Show InChI InChI=1S/C22H20ClN5O3/c1-11-20-26-27-21(28(20)22-17(24-11)7-6-16(25-22)12-2-3-12)14-8-13(4-5-15(14)23)31-19-10-30-9-18(19)29/h4-8,12,18-19,29H,2-3,9-10H2,1H3	PDB UniProtKB/SwissProt antibodypedia 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 PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...				US Patent US9085584 (2015) BindingDB Entry DOI: 10.7270/Q27P8X54
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM171935 (US9085584, 94) Show SMILES Cc1nc2ccc(nc2n2c(nnc12)-c1cc(ccc1Cl)C1(O)CCOCC1)C1CC1 Show InChI InChI=1S/C23H22ClN5O2/c1-13-20-27-28-21(29(20)22-19(25-13)7-6-18(26-22)14-2-3-14)16-12-15(4-5-17(16)24)23(30)8-10-31-11-9-23/h4-7,12,14,30H,2-3,8-11H2,1H3	PDB UniProtKB/SwissProt antibodypedia 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 PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...				US Patent US9085584 (2015) BindingDB Entry DOI: 10.7270/Q27P8X54
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM171839 (US9085584, 9) Show SMILES Cc1nc2ccc(nc2n2c(nnc12)-c1cc(O)ccc1Cl)C1CC1 Show InChI InChI=1S/C18H14ClN5O/c1-9-16-22-23-17(12-8-11(25)4-5-13(12)19)24(16)18-15(20-9)7-6-14(21-18)10-2-3-10/h4-8,10,25H,2-3H2,1H3	PDB UniProtKB/SwissProt antibodypedia 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 PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...				US Patent US9085584 (2015) BindingDB Entry DOI: 10.7270/Q27P8X54
					More data for this Ligand-Target Pair
Plasma kallikrein (Rattus norvegicus)	BDBM423193 (N-[(5R)-1-Amino-5H,6H,7H-cyclopenta[c]pyridin-5-yl...) Show SMILES COc1nn(Cc2ccc(nc2C)N2CC3CC3C2)cc1C(=O)N[C@@H]1CCc2c1ccnc2N |r| Show InChI InChI=1S/C25H29N7O2/c1-14-15(3-6-22(28-14)31-10-16-9-17(16)11-31)12-32-13-20(25(30-32)34-2)24(33)29-21-5-4-19-18(21)7-8-27-23(19)26/h3,6-8,13,16-17,21H,4-5,9-12H2,1-2H3,(H2,26,27)(H,29,33)/t16?,17?,21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	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)	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 GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	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
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM284757 (US10023575, Example 48 | US10023575, Example 49 | ...) Show SMILES OC1COCCC1(NC(=O)c1cnn2cc(cnc12)C1CC1)c1ccc(cc1F)C(F)(F)F Show InChI InChI=1S/C22H20F4N4O3/c23-17-7-14(22(24,25)26)3-4-16(17)21(5-6-33-11-18(21)31)29-20(32)15-9-28-30-10-13(12-1-2-12)8-27-19(15)30/h3-4,7-10,12,18,31H,1-2,5-6,11H2,(H,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...				US Patent US10479794 (2019) BindingDB Entry DOI: 10.7270/Q27083TT
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM476570 (US10875867, Example 82a | US11691977, Example 82b) Show SMILES OC1COCC[C@]1(NC(=O)c1cnn2cc(cnc12)C1CC1)c1ccc(cc1F)C(F)(F)F |r| Show InChI InChI=1S/C22H20F4N4O3/c23-17-7-14(22(24,25)26)3-4-16(17)21(5-6-33-11-18(21)31)29-20(32)15-9-28-30-10-13(12-1-2-12)8-27-19(15)30/h3-4,7-10,12,18,31H,1-2,5-6,11H2,(H,29,32)/t18?,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...				US Patent US10875867 (2020) BindingDB Entry DOI: 10.7270/Q2WQ06W2
					More data for this Ligand-Target Pair
Plasma kallikrein (Rattus norvegicus)	BDBM423197 (1-[6-(5-Aza-spiro[2.3]hex-5-yl)-2-methyl-pyridin-3...) Show SMILES Cc1nc(ccc1Cn1cc(cn1)C(=O)N[C@@H]1CCc2c1ccnc2N)N1CC2(CC2)C1 |r| Show InChI InChI=1S/C24H27N7O/c1-15-16(2-5-21(28-15)30-13-24(14-30)7-8-24)11-31-12-17(10-27-31)23(32)29-20-4-3-19-18(20)6-9-26-22(19)25/h2,5-6,9-10,12,20H,3-4,7-8,11,13-14H2,1H3,(H2,25,26)(H,29,32)/t20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	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

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