Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with Target = 'Plasma kallikrein' and Ligand = 'BDBM416993'   

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))	BDBM416993 ((+)-N-(5-(1-amino-1-(4-cyanophenyl)-3-cyclopropylp...) Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccc(cc1)C#N)C(F)(F)F Show InChI InChI=1S/C31H28F4N6O/c32-25-11-10-23(30(38,13-12-19-4-5-19)22-8-6-20(17-36)7-9-22)15-26(25)39-29(42)27-16-28(31(33,34)35)40-41(27)24-3-1-2-21(14-24)18-37/h1-3,6-11,14-16,19H,4-5,12-13,18,37-38H2,(H,39,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates (DiaPharma Group, Inc., ...				US Patent US10329260 (2019) BindingDB Entry DOI: 10.7270/Q2R78HM5
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM416993 ((+)-N-(5-(1-amino-1-(4-cyanophenyl)-3-cyclopropylp...) Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccc(cc1)C#N)C(F)(F)F Show InChI InChI=1S/C31H28F4N6O/c32-25-11-10-23(30(38,13-12-19-4-5-19)22-8-6-20(17-36)7-9-22)15-26(25)39-29(42)27-16-28(31(33,34)35)40-41(27)24-3-1-2-21(14-24)18-37/h1-3,6-11,14-16,19H,4-5,12-13,18,37-38H2,(H,39,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates (DiaPharma Group, Inc., ...				US Patent US10633345 (2020) BindingDB Entry DOI: 10.7270/Q26Q218G
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM416993 ((+)-N-(5-(1-amino-1-(4-cyanophenyl)-3-cyclopropylp...) Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccc(cc1)C#N)C(F)(F)F Show InChI InChI=1S/C31H28F4N6O/c32-25-11-10-23(30(38,13-12-19-4-5-19)22-8-6-20(17-36)7-9-22)15-26(25)39-29(42)27-16-28(31(33,34)35)40-41(27)24-3-1-2-21(14-24)18-37/h1-3,6-11,14-16,19H,4-5,12-13,18,37-38H2,(H,39,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2XW4PXV
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM416993 ((+)-N-(5-(1-amino-1-(4-cyanophenyl)-3-cyclopropylp...) Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccc(cc1)C#N)C(F)(F)F Show InChI InChI=1S/C31H28F4N6O/c32-25-11-10-23(30(38,13-12-19-4-5-19)22-8-6-20(17-36)7-9-22)15-26(25)39-29(42)27-16-28(31(33,34)35)40-41(27)24-3-1-2-21(14-24)18-37/h1-3,6-11,14-16,19H,4-5,12-13,18,37-38H2,(H,39,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2XW4PXV
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM416993 ((+)-N-(5-(1-amino-1-(4-cyanophenyl)-3-cyclopropylp...) Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccc(cc1)C#N)C(F)(F)F Show InChI InChI=1S/C31H28F4N6O/c32-25-11-10-23(30(38,13-12-19-4-5-19)22-8-6-20(17-36)7-9-22)15-26(25)39-29(42)27-16-28(31(33,34)35)40-41(27)24-3-1-2-21(14-24)18-37/h1-3,6-11,14-16,19H,4-5,12-13,18,37-38H2,(H,39,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2J1078D
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM416993 ((+)-N-(5-(1-amino-1-(4-cyanophenyl)-3-cyclopropylp...) Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccc(cc1)C#N)C(F)(F)F Show InChI InChI=1S/C31H28F4N6O/c32-25-11-10-23(30(38,13-12-19-4-5-19)22-8-6-20(17-36)7-9-22)15-26(25)39-29(42)27-16-28(31(33,34)35)40-41(27)24-3-1-2-21(14-24)18-37/h1-3,6-11,14-16,19H,4-5,12-13,18,37-38H2,(H,39,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates (DiaPharma Group, Inc., ...				US Patent US10633345 (2020) BindingDB Entry DOI: 10.7270/Q26Q218G
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM416993 ((+)-N-(5-(1-amino-1-(4-cyanophenyl)-3-cyclopropylp...) Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccc(cc1)C#N)C(F)(F)F Show InChI InChI=1S/C31H28F4N6O/c32-25-11-10-23(30(38,13-12-19-4-5-19)22-8-6-20(17-36)7-9-22)15-26(25)39-29(42)27-16-28(31(33,34)35)40-41(27)24-3-1-2-21(14-24)18-37/h1-3,6-11,14-16,19H,4-5,12-13,18,37-38H2,(H,39,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...				US Patent US10689346 (2020) BindingDB Entry DOI: 10.7270/Q22J6FXH
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM416993 ((+)-N-(5-(1-amino-1-(4-cyanophenyl)-3-cyclopropylp...) Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccc(cc1)C#N)C(F)(F)F Show InChI InChI=1S/C31H28F4N6O/c32-25-11-10-23(30(38,13-12-19-4-5-19)22-8-6-20(17-36)7-9-22)15-26(25)39-29(42)27-16-28(31(33,34)35)40-41(27)24-3-1-2-21(14-24)18-37/h1-3,6-11,14-16,19H,4-5,12-13,18,37-38H2,(H,39,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...				US Patent US10689346 (2020) BindingDB Entry DOI: 10.7270/Q22J6FXH
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM416993 ((+)-N-(5-(1-amino-1-(4-cyanophenyl)-3-cyclopropylp...) Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccc(cc1)C#N)C(F)(F)F Show InChI InChI=1S/C31H28F4N6O/c32-25-11-10-23(30(38,13-12-19-4-5-19)22-8-6-20(17-36)7-9-22)15-26(25)39-29(42)27-16-28(31(33,34)35)40-41(27)24-3-1-2-21(14-24)18-37/h1-3,6-11,14-16,19H,4-5,12-13,18,37-38H2,(H,39,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates (DiaPharma Group, Inc., ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2HM5CNF
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM416993 ((+)-N-(5-(1-amino-1-(4-cyanophenyl)-3-cyclopropylp...) Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccc(cc1)C#N)C(F)(F)F Show InChI InChI=1S/C31H28F4N6O/c32-25-11-10-23(30(38,13-12-19-4-5-19)22-8-6-20(17-36)7-9-22)15-26(25)39-29(42)27-16-28(31(33,34)35)40-41(27)24-3-1-2-21(14-24)18-37/h1-3,6-11,14-16,19H,4-5,12-13,18,37-38H2,(H,39,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates (DiaPharma Group, Inc., ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2HM5CNF
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM416993 ((+)-N-(5-(1-amino-1-(4-cyanophenyl)-3-cyclopropylp...) Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccc(cc1)C#N)C(F)(F)F Show InChI InChI=1S/C31H28F4N6O/c32-25-11-10-23(30(38,13-12-19-4-5-19)22-8-6-20(17-36)7-9-22)15-26(25)39-29(42)27-16-28(31(33,34)35)40-41(27)24-3-1-2-21(14-24)18-37/h1-3,6-11,14-16,19H,4-5,12-13,18,37-38H2,(H,39,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Plasma kallikrein activity assay. The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic s...				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZC862H
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM416993 ((+)-N-(5-(1-amino-1-(4-cyanophenyl)-3-cyclopropylp...) Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccc(cc1)C#N)C(F)(F)F Show InChI InChI=1S/C31H28F4N6O/c32-25-11-10-23(30(38,13-12-19-4-5-19)22-8-6-20(17-36)7-9-22)15-26(25)39-29(42)27-16-28(31(33,34)35)40-41(27)24-3-1-2-21(14-24)18-37/h1-3,6-11,14-16,19H,4-5,12-13,18,37-38H2,(H,39,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Plasma kallikrein activity assay. The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic s...				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZC862H
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM416993 ((+)-N-(5-(1-amino-1-(4-cyanophenyl)-3-cyclopropylp...) Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccc(cc1)C#N)C(F)(F)F Show InChI InChI=1S/C31H28F4N6O/c32-25-11-10-23(30(38,13-12-19-4-5-19)22-8-6-20(17-36)7-9-22)15-26(25)39-29(42)27-16-28(31(33,34)35)40-41(27)24-3-1-2-21(14-24)18-37/h1-3,6-11,14-16,19H,4-5,12-13,18,37-38H2,(H,39,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates (DiaPharma Group, Inc., ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FT8Q7S
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM416993 ((+)-N-(5-(1-amino-1-(4-cyanophenyl)-3-cyclopropylp...) Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccc(cc1)C#N)C(F)(F)F Show InChI InChI=1S/C31H28F4N6O/c32-25-11-10-23(30(38,13-12-19-4-5-19)22-8-6-20(17-36)7-9-22)15-26(25)39-29(42)27-16-28(31(33,34)35)40-41(27)24-3-1-2-21(14-24)18-37/h1-3,6-11,14-16,19H,4-5,12-13,18,37-38H2,(H,39,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates (DiaPharma Group, Inc., ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FT8Q7S
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM416993 ((+)-N-(5-(1-amino-1-(4-cyanophenyl)-3-cyclopropylp...) Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccc(cc1)C#N)C(F)(F)F Show InChI InChI=1S/C31H28F4N6O/c32-25-11-10-23(30(38,13-12-19-4-5-19)22-8-6-20(17-36)7-9-22)15-26(25)39-29(42)27-16-28(31(33,34)35)40-41(27)24-3-1-2-21(14-24)18-37/h1-3,6-11,14-16,19H,4-5,12-13,18,37-38H2,(H,39,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2J1078D
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM416993 ((+)-N-(5-(1-amino-1-(4-cyanophenyl)-3-cyclopropylp...) Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccc(cc1)C#N)C(F)(F)F Show InChI InChI=1S/C31H28F4N6O/c32-25-11-10-23(30(38,13-12-19-4-5-19)22-8-6-20(17-36)7-9-22)15-26(25)39-29(42)27-16-28(31(33,34)35)40-41(27)24-3-1-2-21(14-24)18-37/h1-3,6-11,14-16,19H,4-5,12-13,18,37-38H2,(H,39,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.117035 BindingDB Entry DOI: 10.7270/Q2FB572S
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM416993 ((+)-N-(5-(1-amino-1-(4-cyanophenyl)-3-cyclopropylp...) Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccc(cc1)C#N)C(F)(F)F Show InChI InChI=1S/C31H28F4N6O/c32-25-11-10-23(30(38,13-12-19-4-5-19)22-8-6-20(17-36)7-9-22)15-26(25)39-29(42)27-16-28(31(33,34)35)40-41(27)24-3-1-2-21(14-24)18-37/h1-3,6-11,14-16,19H,4-5,12-13,18,37-38H2,(H,39,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.117035 BindingDB Entry DOI: 10.7270/Q2FB572S
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM416993 ((+)-N-(5-(1-amino-1-(4-cyanophenyl)-3-cyclopropylp...) Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccc(cc1)C#N)C(F)(F)F Show InChI InChI=1S/C31H28F4N6O/c32-25-11-10-23(30(38,13-12-19-4-5-19)22-8-6-20(17-36)7-9-22)15-26(25)39-29(42)27-16-28(31(33,34)35)40-41(27)24-3-1-2-21(14-24)18-37/h1-3,6-11,14-16,19H,4-5,12-13,18,37-38H2,(H,39,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.117035 BindingDB Entry DOI: 10.7270/Q2FB572S
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM416993 ((+)-N-(5-(1-amino-1-(4-cyanophenyl)-3-cyclopropylp...) Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccc(cc1)C#N)C(F)(F)F Show InChI InChI=1S/C31H28F4N6O/c32-25-11-10-23(30(38,13-12-19-4-5-19)22-8-6-20(17-36)7-9-22)15-26(25)39-29(42)27-16-28(31(33,34)35)40-41(27)24-3-1-2-21(14-24)18-37/h1-3,6-11,14-16,19H,4-5,12-13,18,37-38H2,(H,39,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.117035 BindingDB Entry DOI: 10.7270/Q2FB572S
					More data for this Ligand-Target Pair