Compile Data Set for Download or QSAR

Found 38 hits Enz. Inhib. hit(s) with all data for entry = 534   

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))	BDBM276779 (5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...) Show SMILES COc1cn(C(Cc2ccn(C)n2)C(=O)Nc2ccc(s2)C(N)=O)c(=O)cc1-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C25H21ClN6O4S/c1-31-8-7-16(30-31)10-19(25(35)29-22-6-5-21(37-22)24(28)34)32-13-20(36-2)18(11-23(32)33)17-9-15(26)4-3-14(17)12-27/h3-9,11,13,19H,10H2,1-2H3,(H2,28,34)(H,29,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.490	n/a	n/a	n/a	n/a	7.4	25
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...				US Patent US10071995 (2018) BindingDB Entry DOI: 10.7270/Q2H13429
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM276767 (US10071995, Example 1 | US10071995, Example 8) Show SMILES COCCC(C(=O)Nc1ccc(s1)C(N)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C23H21ClN4O5S/c1-32-8-7-17(23(31)27-20-6-5-19(34-20)22(26)30)28-12-18(33-2)16(10-21(28)29)15-9-14(24)4-3-13(15)11-25/h3-6,9-10,12,17H,7-8H2,1-2H3,(H2,26,30)(H,27,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.940	n/a	n/a	n/a	n/a	7.4	25
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...				US Patent US10071995 (2018) BindingDB Entry DOI: 10.7270/Q2H13429
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM276781 (5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...) Show SMILES CNC(=O)c1ccc(NC(=O)C(Cc2ccn(C)n2)n2cc(OC)c(cc2=O)-c2cc(Cl)ccc2C#N)s1 Show InChI InChI=1S/C26H23ClN6O4S/c1-29-26(36)22-6-7-23(38-22)30-25(35)20(11-17-8-9-32(2)31-17)33-14-21(37-3)19(12-24(33)34)18-10-16(27)5-4-15(18)13-28/h4-10,12,14,20H,11H2,1-3H3,(H,29,36)(H,30,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	7.4	25
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...				US Patent US10071995 (2018) BindingDB Entry DOI: 10.7270/Q2H13429
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM276781 (5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...) Show SMILES CNC(=O)c1ccc(NC(=O)C(Cc2ccn(C)n2)n2cc(OC)c(cc2=O)-c2cc(Cl)ccc2C#N)s1 Show InChI InChI=1S/C26H23ClN6O4S/c1-29-26(36)22-6-7-23(38-22)30-25(35)20(11-17-8-9-32(2)31-17)33-14-21(37-3)19(12-24(33)34)18-10-16(27)5-4-15(18)13-28/h4-10,12,14,20H,11H2,1-3H3,(H,29,36)(H,30,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	7.4	25
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...				US Patent US10071995 (2018) BindingDB Entry DOI: 10.7270/Q2H13429
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM276777 (5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...) Show SMILES CNC(=O)c1ccc(NC(=O)C(CCOC)n2cc(OC)c(cc2=O)-c2cc(Cl)ccc2C#N)s1 Show InChI InChI=1S/C24H23ClN4O5S/c1-27-24(32)20-6-7-21(35-20)28-23(31)18(8-9-33-2)29-13-19(34-3)17(11-22(29)30)16-10-15(25)5-4-14(16)12-26/h4-7,10-11,13,18H,8-9H2,1-3H3,(H,27,32)(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	7.4	25
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...				US Patent US10071995 (2018) BindingDB Entry DOI: 10.7270/Q2H13429
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM276779 (5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...) Show SMILES COc1cn(C(Cc2ccn(C)n2)C(=O)Nc2ccc(s2)C(N)=O)c(=O)cc1-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C25H21ClN6O4S/c1-31-8-7-16(30-31)10-19(25(35)29-22-6-5-21(37-22)24(28)34)32-13-20(36-2)18(11-23(32)33)17-9-15(26)4-3-14(17)12-27/h3-9,11,13,19H,10H2,1-2H3,(H2,28,34)(H,29,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	7.4	25
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...				US Patent US10071995 (2018) BindingDB Entry DOI: 10.7270/Q2H13429
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM276779 (5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...) Show SMILES COc1cn(C(Cc2ccn(C)n2)C(=O)Nc2ccc(s2)C(N)=O)c(=O)cc1-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C25H21ClN6O4S/c1-31-8-7-16(30-31)10-19(25(35)29-22-6-5-21(37-22)24(28)34)32-13-20(36-2)18(11-23(32)33)17-9-15(26)4-3-14(17)12-27/h3-9,11,13,19H,10H2,1-2H3,(H2,28,34)(H,29,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	7.4	25
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...				US Patent US10071995 (2018) BindingDB Entry DOI: 10.7270/Q2H13429
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM276777 (5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...) Show SMILES CNC(=O)c1ccc(NC(=O)C(CCOC)n2cc(OC)c(cc2=O)-c2cc(Cl)ccc2C#N)s1 Show InChI InChI=1S/C24H23ClN4O5S/c1-27-24(32)20-6-7-21(35-20)28-23(31)18(8-9-33-2)29-13-19(34-3)17(11-22(29)30)16-10-15(25)5-4-14(16)12-26/h4-7,10-11,13,18H,8-9H2,1-3H3,(H,27,32)(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	7.4	25
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...				US Patent US10071995 (2018) BindingDB Entry DOI: 10.7270/Q2H13429
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM276784 (5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...) Show SMILES COc1cn(C(Cc2ccccn2)C(=O)Nc2ccc(s2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C26H19ClN4O5S/c1-36-21-14-31(24(32)12-19(21)18-10-16(27)6-5-15(18)13-28)20(11-17-4-2-3-9-29-17)25(33)30-23-8-7-22(37-23)26(34)35/h2-10,12,14,20H,11H2,1H3,(H,30,33)(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	7.4	25
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...				US Patent US10071995 (2018) BindingDB Entry DOI: 10.7270/Q2H13429
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM276777 (5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...) Show SMILES CNC(=O)c1ccc(NC(=O)C(CCOC)n2cc(OC)c(cc2=O)-c2cc(Cl)ccc2C#N)s1 Show InChI InChI=1S/C24H23ClN4O5S/c1-27-24(32)20-6-7-21(35-20)28-23(31)18(8-9-33-2)29-13-19(34-3)17(11-22(29)30)16-10-15(25)5-4-14(16)12-26/h4-7,10-11,13,18H,8-9H2,1-3H3,(H,27,32)(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	7.4	25
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...				US Patent US10071995 (2018) BindingDB Entry DOI: 10.7270/Q2H13429
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM276783 (5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...) Show SMILES CNC(=O)c1ccc(NC(=O)C(Cc2cnco2)n2cc(OC)c(cc2=O)-c2cc(Cl)ccc2C#N)s1 Show InChI InChI=1S/C25H20ClN5O5S/c1-28-25(34)21-5-6-22(37-21)30-24(33)19(8-16-11-29-13-36-16)31-12-20(35-2)18(9-23(31)32)17-7-15(26)4-3-14(17)10-27/h3-7,9,11-13,19H,8H2,1-2H3,(H,28,34)(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	7.4	25
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...				US Patent US10071995 (2018) BindingDB Entry DOI: 10.7270/Q2H13429
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM276781 (5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...) Show SMILES CNC(=O)c1ccc(NC(=O)C(Cc2ccn(C)n2)n2cc(OC)c(cc2=O)-c2cc(Cl)ccc2C#N)s1 Show InChI InChI=1S/C26H23ClN6O4S/c1-29-26(36)22-6-7-23(38-22)30-25(35)20(11-17-8-9-32(2)31-17)33-14-21(37-3)19(12-24(33)34)18-10-16(27)5-4-15(18)13-28/h4-10,12,14,20H,11H2,1-3H3,(H,29,36)(H,30,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	7.4	25
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...				US Patent US10071995 (2018) BindingDB Entry DOI: 10.7270/Q2H13429
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM276767 (US10071995, Example 1 | US10071995, Example 8) Show SMILES COCCC(C(=O)Nc1ccc(s1)C(N)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C23H21ClN4O5S/c1-32-8-7-17(23(31)27-20-6-5-19(34-20)22(26)30)28-12-18(33-2)16(10-21(28)29)15-9-14(24)4-3-13(15)11-25/h3-6,9-10,12,17H,7-8H2,1-2H3,(H2,26,30)(H,27,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.4	25
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...				US Patent US10071995 (2018) BindingDB Entry DOI: 10.7270/Q2H13429
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM276773 (5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...) Show SMILES COCCC(C(=O)Nc1ccc(s1)C(O)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C23H20ClN3O6S/c1-32-8-7-17(22(29)26-20-6-5-19(34-20)23(30)31)27-12-18(33-2)16(10-21(27)28)15-9-14(24)4-3-13(15)11-25/h3-6,9-10,12,17H,7-8H2,1-2H3,(H,26,29)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.4	25
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...				US Patent US10071995 (2018) BindingDB Entry DOI: 10.7270/Q2H13429
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM276767 (US10071995, Example 1 | US10071995, Example 8) Show SMILES COCCC(C(=O)Nc1ccc(s1)C(N)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C23H21ClN4O5S/c1-32-8-7-17(23(31)27-20-6-5-19(34-20)22(26)30)28-12-18(33-2)16(10-21(28)29)15-9-14(24)4-3-13(15)11-25/h3-6,9-10,12,17H,7-8H2,1-2H3,(H2,26,30)(H,27,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.4	25
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...				US Patent US10071995 (2018) BindingDB Entry DOI: 10.7270/Q2H13429
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM276779 (5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...) Show SMILES COc1cn(C(Cc2ccn(C)n2)C(=O)Nc2ccc(s2)C(N)=O)c(=O)cc1-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C25H21ClN6O4S/c1-31-8-7-16(30-31)10-19(25(35)29-22-6-5-21(37-22)24(28)34)32-13-20(36-2)18(11-23(32)33)17-9-15(26)4-3-14(17)12-27/h3-9,11,13,19H,10H2,1-2H3,(H2,28,34)(H,29,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.10	n/a	n/a	n/a	n/a	7.4	25
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...				US Patent US10071995 (2018) BindingDB Entry DOI: 10.7270/Q2H13429
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM276777 (5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...) Show SMILES CNC(=O)c1ccc(NC(=O)C(CCOC)n2cc(OC)c(cc2=O)-c2cc(Cl)ccc2C#N)s1 Show InChI InChI=1S/C24H23ClN4O5S/c1-27-24(32)20-6-7-21(35-20)28-23(31)18(8-9-33-2)29-13-19(34-3)17(11-22(29)30)16-10-15(25)5-4-14(16)12-26/h4-7,10-11,13,18H,8-9H2,1-3H3,(H,27,32)(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.60	n/a	n/a	n/a	n/a	7.4	25
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...				US Patent US10071995 (2018) BindingDB Entry DOI: 10.7270/Q2H13429
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM276781 (5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...) Show SMILES CNC(=O)c1ccc(NC(=O)C(Cc2ccn(C)n2)n2cc(OC)c(cc2=O)-c2cc(Cl)ccc2C#N)s1 Show InChI InChI=1S/C26H23ClN6O4S/c1-29-26(36)22-6-7-23(38-22)30-25(35)20(11-17-8-9-32(2)31-17)33-14-21(37-3)19(12-24(33)34)18-10-16(27)5-4-15(18)13-28/h4-10,12,14,20H,11H2,1-3H3,(H,29,36)(H,30,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.40	n/a	n/a	n/a	n/a	7.4	25
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...				US Patent US10071995 (2018) BindingDB Entry DOI: 10.7270/Q2H13429
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM276784 (5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...) Show SMILES COc1cn(C(Cc2ccccn2)C(=O)Nc2ccc(s2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C26H19ClN4O5S/c1-36-21-14-31(24(32)12-19(21)18-10-16(27)6-5-15(18)13-28)20(11-17-4-2-3-9-29-17)25(33)30-23-8-7-22(37-23)26(34)35/h2-10,12,14,20H,11H2,1H3,(H,30,33)(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.4	25
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...				US Patent US10071995 (2018) BindingDB Entry DOI: 10.7270/Q2H13429
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM276783 (5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...) Show SMILES CNC(=O)c1ccc(NC(=O)C(Cc2cnco2)n2cc(OC)c(cc2=O)-c2cc(Cl)ccc2C#N)s1 Show InChI InChI=1S/C25H20ClN5O5S/c1-28-25(34)21-5-6-22(37-21)30-24(33)19(8-16-11-29-13-36-16)31-12-20(35-2)18(9-23(31)32)17-7-15(26)4-3-14(17)10-27/h3-7,9,11-13,19H,8H2,1-2H3,(H,28,34)(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.20	n/a	n/a	n/a	n/a	7.4	25
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...				US Patent US10071995 (2018) BindingDB Entry DOI: 10.7270/Q2H13429
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM276785 (5-({2-[5-Chloro-4-(5-chloro-2-cyanophenyl)-2-oxopy...) Show SMILES COCCC(C(=O)Nc1ccc(s1)C(O)=O)n1cc(Cl)c(cc1=O)-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C22H17Cl2N3O5S/c1-32-7-6-17(21(29)26-19-5-4-18(33-19)22(30)31)27-11-16(24)15(9-20(27)28)14-8-13(23)3-2-12(14)10-25/h2-5,8-9,11,17H,6-7H2,1H3,(H,26,29)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.90	n/a	n/a	n/a	n/a	7.4	25
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...				US Patent US10071995 (2018) BindingDB Entry DOI: 10.7270/Q2H13429
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM276767 (US10071995, Example 1 | US10071995, Example 8) Show SMILES COCCC(C(=O)Nc1ccc(s1)C(N)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C23H21ClN4O5S/c1-32-8-7-17(23(31)27-20-6-5-19(34-20)22(26)30)28-12-18(33-2)16(10-21(28)29)15-9-14(24)4-3-13(15)11-25/h3-6,9-10,12,17H,7-8H2,1-2H3,(H2,26,30)(H,27,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	7.4	25
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...				US Patent US10071995 (2018) BindingDB Entry DOI: 10.7270/Q2H13429
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM276773 (5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...) Show SMILES COCCC(C(=O)Nc1ccc(s1)C(O)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C23H20ClN3O6S/c1-32-8-7-17(22(29)26-20-6-5-19(34-20)23(30)31)27-12-18(33-2)16(10-21(27)28)15-9-14(24)4-3-13(15)11-25/h3-6,9-10,12,17H,7-8H2,1-2H3,(H,26,29)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.60	n/a	n/a	n/a	n/a	7.4	25
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...				US Patent US10071995 (2018) BindingDB Entry DOI: 10.7270/Q2H13429
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM276772 (US10071995, Example 6) Show SMILES COc1cn(C(Cc2ccccn2)C(=O)Nc2cc(F)c(s2)C(N)=O)c(=O)cc1-c1cc(Cl)ccc1F Show InChI InChI=1S/C25H19ClF2N4O4S/c1-36-20-12-32(22(33)10-16(20)15-8-13(26)5-6-17(15)27)19(9-14-4-2-3-7-30-14)25(35)31-21-11-18(28)23(37-21)24(29)34/h2-8,10-12,19H,9H2,1H3,(H2,29,34)(H,31,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>10	n/a	n/a	n/a	n/a	7.4	25
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...				US Patent US10071995 (2018) BindingDB Entry DOI: 10.7270/Q2H13429
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM276768 (US10071995, Example 2) Show SMILES COCCC(C(=O)Nc1ccc(s1)C(N)=O)n1cc(Cl)c(cc1=O)-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C22H18Cl2N4O4S/c1-32-7-6-17(22(31)27-19-5-4-18(33-19)21(26)30)28-11-16(24)15(9-20(28)29)14-8-13(23)3-2-12(14)10-25/h2-5,8-9,11,17H,6-7H2,1H3,(H2,26,30)(H,27,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	7.4	25
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...				US Patent US10071995 (2018) BindingDB Entry DOI: 10.7270/Q2H13429
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM276775 (5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...) Show SMILES COCCC(C(=O)Nc1cc(F)c(s1)C(N)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C23H20ClFN4O5S/c1-33-6-5-17(23(32)28-19-9-16(25)21(35-19)22(27)31)29-11-18(34-2)15(8-20(29)30)14-7-13(24)4-3-12(14)10-26/h3-4,7-9,11,17H,5-6H2,1-2H3,(H2,27,31)(H,28,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	27	n/a	n/a	n/a	n/a	7.4	25
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...				US Patent US10071995 (2018) BindingDB Entry DOI: 10.7270/Q2H13429
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM276768 (US10071995, Example 2) Show SMILES COCCC(C(=O)Nc1ccc(s1)C(N)=O)n1cc(Cl)c(cc1=O)-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C22H18Cl2N4O4S/c1-32-7-6-17(22(31)27-19-5-4-18(33-19)21(26)30)28-11-16(24)15(9-20(28)29)14-8-13(23)3-2-12(14)10-25/h2-5,8-9,11,17H,6-7H2,1H3,(H2,26,30)(H,27,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	28	n/a	n/a	n/a	n/a	7.4	25
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...				US Patent US10071995 (2018) BindingDB Entry DOI: 10.7270/Q2H13429
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM276770 (US10071995, Example 4) Show SMILES COc1cn(C(Cc2ccncc2)C(=O)Nc2cc(F)c(s2)C(N)=O)c(=O)cc1-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C26H19ClFN5O4S/c1-37-21-13-33(23(34)10-18(21)17-9-16(27)3-2-15(17)12-29)20(8-14-4-6-31-7-5-14)26(36)32-22-11-19(28)24(38-22)25(30)35/h2-7,9-11,13,20H,8H2,1H3,(H2,30,35)(H,32,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	29	n/a	n/a	n/a	n/a	7.4	25
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...				US Patent US10071995 (2018) BindingDB Entry DOI: 10.7270/Q2H13429
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM276769 (US10071995, Example 3) Show SMILES COc1cn(C(Cc2ccccn2)C(=O)Nc2cc(F)c(s2)C(N)=O)c(=O)cc1-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C26H19ClFN5O4S/c1-37-21-13-33(23(34)10-18(21)17-8-15(27)6-5-14(17)12-29)20(9-16-4-2-3-7-31-16)26(36)32-22-11-19(28)24(38-22)25(30)35/h2-8,10-11,13,20H,9H2,1H3,(H2,30,35)(H,32,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	34	n/a	n/a	n/a	n/a	7.4	25
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...				US Patent US10071995 (2018) BindingDB Entry DOI: 10.7270/Q2H13429
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM276770 (US10071995, Example 4) Show SMILES COc1cn(C(Cc2ccncc2)C(=O)Nc2cc(F)c(s2)C(N)=O)c(=O)cc1-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C26H19ClFN5O4S/c1-37-21-13-33(23(34)10-18(21)17-9-16(27)3-2-15(17)12-29)20(8-14-4-6-31-7-5-14)26(36)32-22-11-19(28)24(38-22)25(30)35/h2-7,9-11,13,20H,8H2,1H3,(H2,30,35)(H,32,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	36	n/a	n/a	n/a	n/a	7.4	25
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...				US Patent US10071995 (2018) BindingDB Entry DOI: 10.7270/Q2H13429
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM276771 (US10071995, Example 5) Show SMILES COc1cn(C(Cc2cccnc2)C(=O)Nc2cc(F)c(s2)C(N)=O)c(=O)cc1-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C26H19ClFN5O4S/c1-37-21-13-33(23(34)9-18(21)17-8-16(27)5-4-15(17)11-29)20(7-14-3-2-6-31-12-14)26(36)32-22-10-19(28)24(38-22)25(30)35/h2-6,8-10,12-13,20H,7H2,1H3,(H2,30,35)(H,32,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	38	n/a	n/a	n/a	n/a	7.4	25
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...				US Patent US10071995 (2018) BindingDB Entry DOI: 10.7270/Q2H13429
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM276771 (US10071995, Example 5) Show SMILES COc1cn(C(Cc2cccnc2)C(=O)Nc2cc(F)c(s2)C(N)=O)c(=O)cc1-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C26H19ClFN5O4S/c1-37-21-13-33(23(34)9-18(21)17-8-16(27)5-4-15(17)11-29)20(7-14-3-2-6-31-12-14)26(36)32-22-10-19(28)24(38-22)25(30)35/h2-6,8-10,12-13,20H,7H2,1H3,(H2,30,35)(H,32,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	42	n/a	n/a	n/a	n/a	7.4	25
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...				US Patent US10071995 (2018) BindingDB Entry DOI: 10.7270/Q2H13429
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM276785 (5-({2-[5-Chloro-4-(5-chloro-2-cyanophenyl)-2-oxopy...) Show SMILES COCCC(C(=O)Nc1ccc(s1)C(O)=O)n1cc(Cl)c(cc1=O)-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C22H17Cl2N3O5S/c1-32-7-6-17(21(29)26-19-5-4-18(33-19)22(30)31)27-11-16(24)15(9-20(27)28)14-8-13(23)3-2-12(14)10-25/h2-5,8-9,11,17H,6-7H2,1H3,(H,26,29)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	47	n/a	n/a	n/a	n/a	7.4	25
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...				US Patent US10071995 (2018) BindingDB Entry DOI: 10.7270/Q2H13429
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM276775 (5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...) Show SMILES COCCC(C(=O)Nc1cc(F)c(s1)C(N)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C23H20ClFN4O5S/c1-33-6-5-17(23(32)28-19-9-16(25)21(35-19)22(27)31)29-11-18(34-2)15(8-20(29)30)14-7-13(24)4-3-12(14)10-26/h3-4,7-9,11,17H,5-6H2,1-2H3,(H2,27,31)(H,28,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	47	n/a	n/a	n/a	n/a	7.4	25
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...				US Patent US10071995 (2018) BindingDB Entry DOI: 10.7270/Q2H13429
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM276775 (5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...) Show SMILES COCCC(C(=O)Nc1cc(F)c(s1)C(N)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C23H20ClFN4O5S/c1-33-6-5-17(23(32)28-19-9-16(25)21(35-19)22(27)31)29-11-18(34-2)15(8-20(29)30)14-7-13(24)4-3-12(14)10-26/h3-4,7-9,11,17H,5-6H2,1-2H3,(H2,27,31)(H,28,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	54	n/a	n/a	n/a	n/a	7.4	25
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...				US Patent US10071995 (2018) BindingDB Entry DOI: 10.7270/Q2H13429
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM276769 (US10071995, Example 3) Show SMILES COc1cn(C(Cc2ccccn2)C(=O)Nc2cc(F)c(s2)C(N)=O)c(=O)cc1-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C26H19ClFN5O4S/c1-37-21-13-33(23(34)10-18(21)17-8-15(27)6-5-14(17)12-29)20(9-16-4-2-3-7-31-16)26(36)32-22-11-19(28)24(38-22)25(30)35/h2-8,10-11,13,20H,9H2,1H3,(H2,30,35)(H,32,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	68	n/a	n/a	n/a	n/a	7.4	25
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...				US Patent US10071995 (2018) BindingDB Entry DOI: 10.7270/Q2H13429
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM276775 (5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...) Show SMILES COCCC(C(=O)Nc1cc(F)c(s1)C(N)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C23H20ClFN4O5S/c1-33-6-5-17(23(32)28-19-9-16(25)21(35-19)22(27)31)29-11-18(34-2)15(8-20(29)30)14-7-13(24)4-3-12(14)10-26/h3-4,7-9,11,17H,5-6H2,1-2H3,(H2,27,31)(H,28,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	7.4	25
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...				US Patent US10071995 (2018) BindingDB Entry DOI: 10.7270/Q2H13429
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM276772 (US10071995, Example 6) Show SMILES COc1cn(C(Cc2ccccn2)C(=O)Nc2cc(F)c(s2)C(N)=O)c(=O)cc1-c1cc(Cl)ccc1F Show InChI InChI=1S/C25H19ClF2N4O4S/c1-36-20-12-32(22(33)10-16(20)15-8-13(26)5-6-17(15)27)19(9-14-4-2-3-7-30-14)25(35)31-21-11-18(28)23(37-21)24(29)34/h2-8,10-12,19H,9H2,1H3,(H2,29,34)(H,31,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	7.4	25
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...				US Patent US10071995 (2018) BindingDB Entry DOI: 10.7270/Q2H13429
					More data for this Ligand-Target Pair