Compile Data Set for Download or QSAR

Found 26 hits of ic50 for UniProtKB: P14272   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
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)	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)	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)	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
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 (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)	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
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)	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 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
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
Plasma kallikrein (Rattus norvegicus)	BDBM423192 (N-[(5R)-1-Amino-3-methyl-5H,6H,7H-cyclopenta[c]pyr...) Show SMILES COc1ccc(CNc2nc(C)cc3[C@@H](CCc23)NC(=O)c2cn(Cc3cnc(nc3C)N3CC4C(C3)C4(F)F)nn2)c(OC)c1 |r| Show InChI InChI=1S/C32H35F2N9O3/c1-17-9-23-22(29(37-17)35-11-19-5-6-21(45-3)10-28(19)46-4)7-8-26(23)39-30(44)27-16-43(41-40-27)13-20-12-36-31(38-18(20)2)42-14-24-25(15-42)32(24,33)34/h5-6,9-10,12,16,24-26H,7-8,11,13-15H2,1-4H3,(H,35,37)(H,39,44)/t24?,25?,26-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	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)	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 GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	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)	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 GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	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)	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 GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	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)	BDBM423196 (1-[6-(2-Aza-spiro[3.3]hept-2-yl)-2-methyl-pyridin-...) Show SMILES Cc1nc(ccc1Cn1cc(cn1)C(=O)N[C@@H]1CCc2c1ccnc2N)N1CC2(CCC2)C1 |r| Show InChI InChI=1S/C25H29N7O/c1-16-17(3-6-22(29-16)31-14-25(15-31)8-2-9-25)12-32-13-18(11-28-32)24(33)30-21-5-4-20-19(21)7-10-27-23(20)26/h3,6-7,10-11,13,21H,2,4-5,8-9,12,14-15H2,1H3,(H2,26,27)(H,30,33)/t21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	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)	BDBM423191 (N-[(5R)-1-Amino-5H,6H,7H-cyclopenta[c]pyridin-5-yl...) Show SMILES Cc1nc(ncc1Cn1cc(nn1)C(=O)N[C@@H]1CCc2c1ccnc2N)N1CC2C(C1)C2(F)F |r| Show InChI InChI=1S/C22H23F2N9O/c1-11-12(6-27-21(28-11)32-8-15-16(9-32)22(15,23)24)7-33-10-18(30-31-33)20(34)29-17-3-2-14-13(17)4-5-26-19(14)25/h4-6,10,15-17H,2-3,7-9H2,1H3,(H2,25,26)(H,29,34)/t15?,16?,17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.90	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)	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 GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	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)	BDBM423177 (US10501440, Example 8) Show SMILES Cc1nc(ccc1Cn1cc(nn1)C(=O)N[C@@H]1CCc2c1ccnc2N)N1CC2C(C1)C2(F)F |r| Show InChI InChI=1S/C23H24F2N8O/c1-12-13(2-5-20(28-12)32-9-16-17(10-32)23(16,24)25)8-33-11-19(30-31-33)22(34)29-18-4-3-15-14(18)6-7-27-21(15)26/h2,5-7,11,16-18H,3-4,8-10H2,1H3,(H2,26,27)(H,29,34)/t16?,17?,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	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)	BDBM423194 (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(C)C |r| Show InChI InChI=1S/C26H31N7O/c1-15-16(4-7-23(30-15)32-13-20-21(14-32)26(20,2)3)11-33-12-17(10-29-33)25(34)31-22-6-5-19-18(22)8-9-28-24(19)27/h4,7-10,12,20-22H,5-6,11,13-14H2,1-3H3,(H2,27,28)(H,31,34)/t20?,21?,22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.90	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