Compile Data Set for Download or QSAR

Found 5363 hits of ic50 for UniProtKB: P03952   

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 (Homo sapiens (Human))	BDBM212110 (US9290485, 142) Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(Cn3ccccc3=O)cc2)c1 Show InChI InChI=1S/C25H26N6O2/c1-17-11-23(26)29-18(2)22(17)13-27-25(33)21-12-28-31(16-21)15-20-8-6-19(7-9-20)14-30-10-4-3-5-24(30)32/h3-12,16H,13-15H2,1-2H3,(H2,26,29)(H,27,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0224	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM212116 (US9290485, 148) Show SMILES Cc1cc(C)n(Cc2ccc(Cn3cc(nn3)C(=O)NCc3c(C)cc(N)nc3C)cc2)n1 Show InChI InChI=1S/C24H28N8O/c1-15-9-23(25)27-18(4)21(15)11-26-24(33)22-14-31(30-28-22)12-19-5-7-20(8-6-19)13-32-17(3)10-16(2)29-32/h5-10,14H,11-13H2,1-4H3,(H2,25,27)(H,26,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM212114 (US9290485, 146) Show SMILES Cc1cnn(Cc2ccc(Cn3cc(cn3)C(=O)NCc3c(C)cc(N)nc3C)cc2)c1 Show InChI InChI=1S/C24H27N7O/c1-16-9-27-30(12-16)13-19-4-6-20(7-5-19)14-31-15-21(10-28-31)24(32)26-11-22-17(2)8-23(25)29-18(22)3/h4-10,12,15H,11,13-14H2,1-3H3,(H2,25,29)(H,26,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM211977 (US9290485, 9) Show SMILES COc1cc(Cn2cc(cn2)C(=O)NCc2c(C)cc(N)nc2C)ccc1Cn1cccn1 Show InChI InChI=1S/C24H27N7O2/c1-16-9-23(25)29-17(2)21(16)12-26-24(32)20-11-28-31(15-20)13-18-5-6-19(22(10-18)33-3)14-30-8-4-7-27-30/h4-11,15H,12-14H2,1-3H3,(H2,25,29)(H,26,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0912	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50582290 (CHEMBL5082614 | US20230286958, Example 198) Show SMILES [H][C@]12C[C@@]1([H])C(=O)N(C2)c1ncc(nc1C)C(C)n1cc(NC(=O)c2nc(cnc2CO)-c2c(F)c(Cl)ccc2C(F)F)cn1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2DB8609
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50582290 (CHEMBL5082614 | US20230286958, Example 198) Show SMILES [H][C@]12C[C@@]1([H])C(=O)N(C2)c1ncc(nc1C)C(C)n1cc(NC(=O)c2nc(cnc2CO)-c2c(F)c(Cl)ccc2C(F)F)cn1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human plasma kallikrein using fluorogenic substrate measured by microplate reader analysis				Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00085 BindingDB Entry DOI: 10.7270/Q2QJ7N5D
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM212136 (US9290485, 168) Show SMILES Cc1cc2cc(Cn3cc(cn3)C(=O)NCc3c(C)cc(N)nc3C)ccc2n1C Show InChI InChI=1S/C23H26N6O/c1-14-7-22(24)27-16(3)20(14)11-25-23(30)19-10-26-29(13-19)12-17-5-6-21-18(9-17)8-15(2)28(21)4/h5-10,13H,11-12H2,1-4H3,(H2,24,27)(H,25,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM212115 (US9290485, 147) Show SMILES Cc1ccnn1Cc1ccc(Cn2cc(nn2)C(=O)NCc2c(C)cc(N)nc2C)cc1 Show InChI InChI=1S/C23H26N8O/c1-15-10-22(24)27-17(3)20(15)11-25-23(32)21-14-30(29-28-21)12-18-4-6-19(7-5-18)13-31-16(2)8-9-26-31/h4-10,14H,11-13H2,1-3H3,(H2,24,27)(H,25,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM212004 (US9290485, 36) Show SMILES Cc1cc(C)n(Cc2ccc(Cn3cc(cn3)C(=O)NCc3c(C)cc(N)nc3C)cc2)n1 Show InChI InChI=1S/C25H29N7O/c1-16-9-24(26)29-19(4)23(16)12-27-25(33)22-11-28-31(15-22)13-20-5-7-21(8-6-20)14-32-18(3)10-17(2)30-32/h5-11,15H,12-14H2,1-4H3,(H2,26,29)(H,27,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.134	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM211974 (US9290485, 6) Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc(Cn3cccn3)cc2)cn1 Show InChI InChI=1S/C23H25N7O/c1-16-10-22(24)28-17(2)20(16)11-25-23(31)21-14-29(15-26-21)12-18-4-6-19(7-5-18)13-30-9-3-8-27-30/h3-10,14-15H,11-13H2,1-2H3,(H2,24,28)(H,25,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM212113 (US9290485, 145) Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(Cn3cccn3)cc2)c1 Show InChI InChI=1S/C23H25N7O/c1-16-10-22(24)28-17(2)21(16)12-25-23(31)20-11-27-30(15-20)14-19-6-4-18(5-7-19)13-29-9-3-8-26-29/h3-11,15H,12-14H2,1-2H3,(H2,24,28)(H,25,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair				3D Structure (crystal)
Plasma kallikrein (Homo sapiens (Human))	BDBM212134 (US9290485, 166) Show SMILES Cc1c(C)c2cc(Cn3cc(nn3)C(=O)NCc3c(C)cc(N)nc3C)ccc2n1C Show InChI InChI=1S/C23H27N7O/c1-13-8-22(24)26-15(3)19(13)10-25-23(31)20-12-30(28-27-20)11-17-6-7-21-18(9-17)14(2)16(4)29(21)5/h6-9,12H,10-11H2,1-5H3,(H2,24,26)(H,25,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM212135 (US9290485, 167) Show SMILES Cc1nc(N)cc(Cl)c1CNC(=O)c1cnn(Cc2ccc(Cn3ccccc3=O)cc2)c1 Show InChI InChI=1S/C24H23ClN6O2/c1-16-20(21(25)10-22(26)29-16)12-27-24(33)19-11-28-31(15-19)14-18-7-5-17(6-8-18)13-30-9-3-2-4-23(30)32/h2-11,15H,12-14H2,1H3,(H2,26,29)(H,27,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50582291 (CHEMBL5078294 | US20230286958, Example 200) Show SMILES [H][C@]12C[C@@]1([H])C(=O)N(C2)c1ncc(cc1C)C(C)n1cc(NC(=O)c2nc(cnc2CO)-c2c(F)c(Cl)ccc2C(F)F)cn1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2DB8609
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50582291 (CHEMBL5078294 | US20230286958, Example 200) Show SMILES [H][C@]12C[C@@]1([H])C(=O)N(C2)c1ncc(cc1C)C(C)n1cc(NC(=O)c2nc(cnc2CO)-c2c(F)c(Cl)ccc2C(F)F)cn1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2DB8609
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50582290 (CHEMBL5082614 | US20230286958, Example 198) Show SMILES [H][C@]12C[C@@]1([H])C(=O)N(C2)c1ncc(nc1C)C(C)n1cc(NC(=O)c2nc(cnc2CO)-c2c(F)c(Cl)ccc2C(F)F)cn1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2DB8609
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50582288 (CHEMBL5089406 | US20230286958, Example 136) Show SMILES [H][C@]12C[C@@]1([H])C(=O)N(C2)c1ncc(C(C)n2cc(NC(=O)c3nc(cnc3C)-c3c(F)c(Cl)ccc3C#N)cn2)c(C)c1F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2DB8609
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50597231 (CHEMBL5201574) Show SMILES CN(CC1CCCN1c1ncc(Cn2cc(NC(=O)c3cncc(n3)-c3c(F)c(Cl)ccc3C(F)F)cn2)cn1)CC1(O)CC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00193 BindingDB Entry DOI: 10.7270/Q27085FQ
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50582287 (CHEMBL5079850 | US20230286958, Example 41) Show SMILES [H][C@]12C[C@@]1([H])C(=O)N(C2)c1ncc(Cn2cc(NC(=O)c3nc(cnc3C)-c3c(F)c(Cl)ccc3C(F)F)cn2)cc1C |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2DB8609
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50582291 (CHEMBL5078294 | US20230286958, Example 200) Show SMILES [H][C@]12C[C@@]1([H])C(=O)N(C2)c1ncc(cc1C)C(C)n1cc(NC(=O)c2nc(cnc2CO)-c2c(F)c(Cl)ccc2C(F)F)cn1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human plasma kallikrein using fluorogenic substrate measured by microplate reader analysis				Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00085 BindingDB Entry DOI: 10.7270/Q2QJ7N5D
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50582287 (CHEMBL5079850 | US20230286958, Example 41) Show SMILES [H][C@]12C[C@@]1([H])C(=O)N(C2)c1ncc(Cn2cc(NC(=O)c3nc(cnc3C)-c3c(F)c(Cl)ccc3C(F)F)cn2)cc1C |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human plasma kallikrein using fluorogenic substrate measured by microplate reader analysis				Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00085 BindingDB Entry DOI: 10.7270/Q2QJ7N5D
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM211974 (US9290485, 6) Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc(Cn3cccn3)cc2)cn1 Show InChI InChI=1S/C23H25N7O/c1-16-10-22(24)28-17(2)20(16)11-25-23(31)21-14-29(15-26-21)12-18-4-6-19(7-5-18)13-30-9-3-8-27-30/h3-10,14-15H,11-13H2,1-2H3,(H2,24,28)(H,25,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50582288 (CHEMBL5089406 | US20230286958, Example 136) Show SMILES [H][C@]12C[C@@]1([H])C(=O)N(C2)c1ncc(C(C)n2cc(NC(=O)c3nc(cnc3C)-c3c(F)c(Cl)ccc3C#N)cn2)c(C)c1F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human plasma kallikrein using fluorogenic substrate measured by microplate reader analysis				Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00085 BindingDB Entry DOI: 10.7270/Q2QJ7N5D
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM617993 (6-(3-Chloro-6-(difluoromethyl)-2-fluorophenyl)-N-(...) Show SMILES CC(c1cnc(N2C[C@H]3C[C@H]3C2=O)c(F)c1)n1cc(NC(=O)c2nc(cnc2CO)-c2c(F)c(Cl)ccc2C(F)F)cn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2DB8609
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM617993 (6-(3-Chloro-6-(difluoromethyl)-2-fluorophenyl)-N-(...) Show SMILES CC(c1cnc(N2C[C@H]3C[C@H]3C2=O)c(F)c1)n1cc(NC(=O)c2nc(cnc2CO)-c2c(F)c(Cl)ccc2C(F)F)cn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2DB8609
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM618006 (6-(3-Chloro-6-(difluoromethyl)-2-fluorophenyl)-N(1...) Show SMILES COc1cc(cnc1N1C[C@H]2C[C@H]2C1=O)C(C)n1cc(NC(=O)c2nc(cnc2C)-c2c(F)c(Cl)ccc2C(F)F)cn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2DB8609
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50582289 (CHEMBL5076760 | US20230286958, Example 155) Show SMILES [H][C@]12C[C@@]1([H])C(=O)N(C2)c1ncc(C(C)n2cc(NC(=O)c3cncc(n3)-c3c(F)c(Cl)ccc3C(F)F)cn2)c(C)c1OC |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human plasma kallikrein using fluorogenic substrate measured by microplate reader analysis				Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00085 BindingDB Entry DOI: 10.7270/Q2QJ7N5D
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM617832 (US20230286958, Example 44) Show SMILES C[C@H](c1cnc(N2C[C@H]3C[C@H]3C2=O)c(F)c1C)n1cc(NC(=O)c2cncc(n2)-c2c(F)c(Cl)ccc2C(F)F)cn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2DB8609
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50597230 (CHEMBL5208510) Show SMILES [H][C@]12C[C@@]1([H])[C@@H](CNCC(C)(C)O)N(C2)c1ncc(Cn2cc(NC(=O)c3cncc(n3)-c3c(F)c(Cl)ccc3C(F)F)cn2)cn1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00193 BindingDB Entry DOI: 10.7270/Q27085FQ
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM617940 (6-(3-Chloro-6-(difluoromethyl)-2-fluorophenyl)-N-(...) Show SMILES CC(c1cnc(N2C[C@H]3C[C@H]3C2=O)c(C)c1C)n1cc(NC(=O)c2cncc(n2)-c2c(F)c(Cl)ccc2C(F)F)cn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2DB8609
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50582289 (CHEMBL5076760 | US20230286958, Example 155) Show SMILES [H][C@]12C[C@@]1([H])C(=O)N(C2)c1ncc(C(C)n2cc(NC(=O)c3cncc(n3)-c3c(F)c(Cl)ccc3C(F)F)cn2)c(C)c1OC |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2DB8609
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM617989 (6-(3-Chloro-6-(difluoromethyl)-2-fluorophenyl)-N-(...) Show SMILES CC(c1cnc(N2C[C@H]3C[C@H]3C2=O)c(C)c1C)n1cc(NC(=O)c2nc(cnc2CO)-c2c(F)c(Cl)ccc2C(F)F)cn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2DB8609
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM617991 (6-(3-Chloro-6-(difluoromethyl)-2-fluorophenyl)-3-(...) Show SMILES CC(c1cnc(cc1C)N1C[C@H]2C[C@H]2C1=O)n1cc(NC(=O)c2nc(cnc2CO)-c2c(F)c(Cl)ccc2C(F)F)cn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2DB8609
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM528122 (3-amino-N-{[5-chloro-2-(1,2,3,4-tetrazol-1-yl)phen...) Show SMILES Nc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(Cl)ccc1-n1cnnn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia 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
TBA					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MG7SP5
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM528130 (N-{[2-fluoro-3-methoxy-6-(1,2,3,4-tetrazol-1-yl)ph...) Show SMILES COc1ccc(c(CNC(=O)c2cn(Cc3ccc(nc3)N3CCCC3)nc2C(F)(F)F)c1F)-n1cnnn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia 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
TBA					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MG7SP5
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50574377 (CHEMBL4853430) Show SMILES Cc1c(Cn2cnc(c2)C(=O)N[C@@H]2CCc3c2ncn3C)cnc(N2CC3CC3C2)c1C#N |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human plasma kallikrein using H-Pro-Phe-AMC as fluorogenic substrate measured every 2 mins for 12 mins by microplate reader analysis				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00622 BindingDB Entry DOI: 10.7270/Q2GB27WQ
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50574379 (CHEMBL4875151) Show SMILES Cc1c(Cn2cnc(c2)C(=O)N[C@@H]2CCc3c2ncn3C)ccc(N2CC3CC3C2)c1C#N |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human plasma kallikrein using H-Pro-Phe-AMC as fluorogenic substrate measured every 2 mins for 12 mins by microplate reader analysis				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00622 BindingDB Entry DOI: 10.7270/Q2GB27WQ
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50582286 (CHEMBL5079924 | US20230286958, Example 45) Show SMILES [H][C@]12C[C@@]1([H])C(=O)N(C2)c1ncc([C@H](C)n2cc(NC(=O)c3cncc(n3)-c3c(F)c(Cl)ccc3C(F)F)cn2)c(C)c1F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human plasma kallikrein using fluorogenic substrate measured by microplate reader analysis				Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00085 BindingDB Entry DOI: 10.7270/Q2QJ7N5D
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM263238 (5-amino-1-(4-pyrazol-1-ylmethyl-benzyl)-1h-pyrazol...) Show SMILES Nc1nn(Cc2ccc(Cn3cccn3)cc2)cc1C(=O)NCc1ccc2c(N)nccc2c1 Show InChI InChI=1S/C25H24N8O/c26-23-21-7-6-19(12-20(21)8-10-28-23)13-29-25(34)22-16-33(31-24(22)27)15-18-4-2-17(3-5-18)14-32-11-1-9-30-32/h1-12,16H,13-15H2,(H2,26,28)(H2,27,31)(H,29,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
Kalvista Pharmaceuticals Limited US Patent					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...				US Patent US9533987 (2017) BindingDB Entry DOI: 10.7270/Q2SX6G78
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM618017 (6-(3-Chloro-6-(difluoromethyl)-2-fluorophenyl)-3-(...) Show SMILES CC(O)c1ncc(nc1C(=O)Nc1cnn(c1)C(C)c1cc(C)c(nn1)N1C[C@H]2C[C@H]2C1=O)-c1c(F)c(Cl)ccc1C(F)F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2DB8609
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM617998 (6-(3-Chloro-6-(difluoromethyl)-2-fluorophenyl)-3-(...) Show SMILES CC(O)c1ncc(nc1C(=O)Nc1cnn(c1)C(C)c1cnc(N2C[C@H]3C[C@H]3C2=O)c(C)c1)-c1c(F)c(Cl)ccc1C(F)F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2DB8609
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50574381 (CHEMBL4854358) Show SMILES Cn1cnc2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(cc2C#N)N2CC3C(C2)C3(F)F)cn1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human plasma kallikrein using H-Pro-Phe-AMC as fluorogenic substrate measured every 2 mins for 12 mins by microplate reader analysis				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00622 BindingDB Entry DOI: 10.7270/Q2GB27WQ
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM618022 (6-(3-Chloro-6-cyano-2-fluorophenyl)-3-methyl-N-(1-...) Show SMILES CC(c1cnc(N2C[C@H]3C[C@H]3C2=O)c(C)n1)n1cc(NC(=O)c2nc(cnc2C)-c2c(F)c(Cl)ccc2C#N)cn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2DB8609
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM618028 (6-(3-Chloro-6-(difluoromethoxy)-2-fluorophenyl)-3-...) Show SMILES COc1ncc(nc1C(=O)Nc1cnn(c1)C(C)c1cnc(N2C[C@H]3C[C@H]3C2=O)c(C)n1)-c1c(OC(F)F)ccc(Cl)c1F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2DB8609
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM617802 (6-(3-Chloro-6-(difluoromethyl)-2-fluorophenyl)-3-m...) Show SMILES CC(c1cnc(N2C[C@H]3C[C@H]3C2=O)c(C)n1)n1cc(NC(=O)c2nc(cnc2C)-c2c(F)c(Cl)ccc2C(F)F)cn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2DB8609
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM617827 (US20230286958, Example 39) Show SMILES C[C@H](c1cc(C)c(nn1)N1C[C@H]2C[C@H]2C1=O)n1cc(NC(=O)c2nc(cnc2C)-c2c(OC(F)F)ccc(Cl)c2F)cn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2DB8609
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50597232 (CHEMBL5183312) Show SMILES O[C@@H]1CCN(C[C@@H]2CCCN2c2ncc(Cn3cc(NC(=O)c4cncc(n4)-c4c(F)c(Cl)ccc4C(F)F)cn3)cn2)C1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00193 BindingDB Entry DOI: 10.7270/Q27085FQ
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50597233 (CHEMBL5196003) Show SMILES [H][C@]12C[C@@]1([H])[C@@H](CN[C@H](C)CO)N(C2)c1ncc(Cn2cc(NC(=O)c3cncc(n3)-c3c(F)c(Cl)ccc3C(F)F)cn2)cn1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00193 BindingDB Entry DOI: 10.7270/Q27085FQ
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50597234 (CHEMBL5200467) Show SMILES CC1(O)CCN(C[C@@H]2CCCN2c2ncc(Cn3cc(NC(=O)c4cncc(n4)-c4c(F)c(Cl)ccc4C(F)F)cn3)cn2)C1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00193 BindingDB Entry DOI: 10.7270/Q27085FQ
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM617898 (6-(3-Chloro-6-(difluoromethyl)-2-fluorophenyl)-N-(...) Show SMILES CC(c1nnc(N2C[C@H]3C[C@H]3C2=O)c(C)c1C)n1cc(NC(=O)c2cncc(n2)-c2c(F)c(Cl)ccc2C(F)F)cn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2DB8609
					More data for this Ligand-Target Pair

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