Compile Data Set for Download or QSAR

Found 20 hits with Last Name = 'hewison' and Initial = 'sj'   

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
Kallikrein-1 (Homo sapiens (Human))	BDBM335737 (6-[(1-Benzyl-1H-pyrrolo[3,2-c]pyridin-4-ylamino)-m...) Show SMILES Nc1nccc2cc(CNc3nccc4n(Cc5ccccc5)ccc34)ccc12 Show InChI InChI=1S/C24H21N5/c25-23-20-7-6-18(14-19(20)8-11-26-23)15-28-24-21-10-13-29(22(21)9-12-27-24)16-17-4-2-1-3-5-17/h1-14H,15-16H2,(H2,25,26)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kalvista Pharmaceuticals Limited US Patent					Assay Description KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori ...				US Patent US9738641 (2017) BindingDB Entry DOI: 10.7270/Q2M047K7
					More data for this Ligand-Target Pair
Kallikrein-1 (Homo sapiens (Human))	BDBM335745 ((1-Amino-isoquinolin-6-ylmethyl)-{8-[4-(4-methyl-p...) Show SMILES Cc1cnn(Cc2ccc(CN3CCOc4c(NCc5ccc6c(N)nccc6c5)ncnc34)cc2)c1 Show InChI InChI=1S/C28H28N8O/c1-19-13-34-36(15-19)17-21-4-2-20(3-5-21)16-35-10-11-37-25-27(32-18-33-28(25)35)31-14-22-6-7-24-23(12-22)8-9-30-26(24)29/h2-9,12-13,15,18H,10-11,14,16-17H2,1H3,(H2,29,30)(H,31,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kalvista Pharmaceuticals Limited US Patent					Assay Description KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori ...				US Patent US9738641 (2017) BindingDB Entry DOI: 10.7270/Q2M047K7
					More data for this Ligand-Target Pair
Kallikrein-1 (Homo sapiens (Human))	BDBM335743 (1-{4-[4-(4-Aminomethyl-2-methyl-benzylamino)-pyrro...) Show SMILES Cc1cc(CN)ccc1CNc1nccc2n(Cc3ccc(Cn4ccccc4=O)cc3)ccc12 Show InChI InChI=1S/C29H29N5O/c1-21-16-24(17-30)9-10-25(21)18-32-29-26-12-15-33(27(26)11-13-31-29)19-22-5-7-23(8-6-22)20-34-14-3-2-4-28(34)35/h2-16H,17-20,30H2,1H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kalvista Pharmaceuticals Limited US Patent					Assay Description KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori ...				US Patent US9738641 (2017) BindingDB Entry DOI: 10.7270/Q2M047K7
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM335739 (US9738641, 4 | [1-(2-Phenyl-thiazol-4-ylmethyl)-1H...) Show SMILES C(Nc1nccc2n(Cc3csc(n3)-c3ccccc3)ccc12)c1cnc2[nH]ccc2c1 Show InChI InChI=1S/C25H20N6S/c1-2-4-18(5-3-1)25-30-20(16-32-25)15-31-11-8-21-22(31)7-10-27-24(21)29-14-17-12-19-6-9-26-23(19)28-13-17/h1-13,16H,14-15H2,(H,26,28)(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.32E+3	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 US9738641 (2017) BindingDB Entry DOI: 10.7270/Q2M047K7
					More data for this Ligand-Target Pair
Kallikrein-1 (Homo sapiens (Human))	BDBM335736 (6-{[1-(2-Phenyl-thiazol-4-ylmethyl)-1H-pyrrolo[3,2...) Show SMILES Nc1nccc2cc(CNc3nccc4n(Cc5csc(n5)-c5ccccc5)ccc34)ccc12 Show InChI InChI=1S/C27H22N6S/c28-25-22-7-6-18(14-20(22)8-11-29-25)15-31-26-23-10-13-33(24(23)9-12-30-26)16-21-17-34-27(32-21)19-4-2-1-3-5-19/h1-14,17H,15-16H2,(H2,28,29)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kalvista Pharmaceuticals Limited US Patent					Assay Description KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori ...				US Patent US9738641 (2017) BindingDB Entry DOI: 10.7270/Q2M047K7
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM335742 (1-{4-[4-(4-Aminomethyl-benzylamino)-pyrrolo[3,2-c]...) Show SMILES NCc1ccc(CNc2nccc3n(Cc4ccc(Cn5ccccc5=O)cc4)ccc23)cc1 Show InChI InChI=1S/C28H27N5O/c29-17-21-4-6-22(7-5-21)18-31-28-25-13-16-32(26(25)12-14-30-28)19-23-8-10-24(11-9-23)20-33-15-2-1-3-27(33)34/h1-16H,17-20,29H2,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.37E+3	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 US9738641 (2017) BindingDB Entry DOI: 10.7270/Q2M047K7
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM335738 (1-(4-{4-[(1H-Pyrrolo[2,3-b]pyridin-5-ylmethyl)-ami...) Show SMILES O=c1ccccn1Cc1ccc(Cn2ccc3c(NCc4cnc5[nH]ccc5c4)nccc23)cc1 Show InChI InChI=1S/C28H24N6O/c35-26-3-1-2-13-34(26)19-21-6-4-20(5-7-21)18-33-14-10-24-25(33)9-12-30-28(24)32-17-22-15-23-8-11-29-27(23)31-16-22/h1-16H,17-19H2,(H,29,31)(H,30,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.46E+3	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 US9738641 (2017) BindingDB Entry DOI: 10.7270/Q2M047K7
					More data for this Ligand-Target Pair
Kallikrein-1 (Homo sapiens (Human))	BDBM335738 (1-(4-{4-[(1H-Pyrrolo[2,3-b]pyridin-5-ylmethyl)-ami...) Show SMILES O=c1ccccn1Cc1ccc(Cn2ccc3c(NCc4cnc5[nH]ccc5c4)nccc23)cc1 Show InChI InChI=1S/C28H24N6O/c35-26-3-1-2-13-34(26)19-21-6-4-20(5-7-21)18-33-14-10-24-25(33)9-12-30-28(24)32-17-22-15-23-8-11-29-27(23)31-16-22/h1-16H,17-19H2,(H,29,31)(H,30,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kalvista Pharmaceuticals Limited US Patent					Assay Description KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori ...				US Patent US9738641 (2017) BindingDB Entry DOI: 10.7270/Q2M047K7
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM335743 (1-{4-[4-(4-Aminomethyl-2-methyl-benzylamino)-pyrro...) Show SMILES Cc1cc(CN)ccc1CNc1nccc2n(Cc3ccc(Cn4ccccc4=O)cc3)ccc12 Show InChI InChI=1S/C29H29N5O/c1-21-16-24(17-30)9-10-25(21)18-32-29-26-12-15-33(27(26)11-13-31-29)19-22-5-7-23(8-6-22)20-34-14-3-2-4-28(34)35/h2-16H,17-20,30H2,1H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.30E+3	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 US9738641 (2017) BindingDB Entry DOI: 10.7270/Q2M047K7
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM335736 (6-{[1-(2-Phenyl-thiazol-4-ylmethyl)-1H-pyrrolo[3,2...) Show SMILES Nc1nccc2cc(CNc3nccc4n(Cc5csc(n5)-c5ccccc5)ccc34)ccc12 Show InChI InChI=1S/C27H22N6S/c28-25-22-7-6-18(14-20(22)8-11-29-25)15-31-26-23-10-13-33(24(23)9-12-30-26)16-21-17-34-27(32-21)19-4-2-1-3-5-19/h1-14,17H,15-16H2,(H2,28,29)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.54E+3	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 US9738641 (2017) BindingDB Entry DOI: 10.7270/Q2M047K7
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM335744 ((4-Aminomethyl-benzyl)-[1-(2-phenyl-thiazol-4-ylme...) Show SMILES NCc1ccc(CNc2nccc3n(Cc4csc(n4)-c4ccccc4)ccc23)cc1 Show InChI InChI=1S/C25H23N5S/c26-14-18-6-8-19(9-7-18)15-28-24-22-11-13-30(23(22)10-12-27-24)16-21-17-31-25(29-21)20-4-2-1-3-5-20/h1-13,17H,14-16,26H2,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.10E+3	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 US9738641 (2017) BindingDB Entry DOI: 10.7270/Q2M047K7
					More data for this Ligand-Target Pair
Kallikrein-1 (Homo sapiens (Human))	BDBM335741 ((4-Aminomethyl-2-methyl-benzyl)-[1-(2-phenyl-thiaz...) Show SMILES Cc1cc(CN)ccc1CNc1nccc2n(Cc3csc(n3)-c3ccccc3)ccc12 Show InChI InChI=1S/C26H25N5S/c1-18-13-19(14-27)7-8-21(18)15-29-25-23-10-12-31(24(23)9-11-28-25)16-22-17-32-26(30-22)20-5-3-2-4-6-20/h2-13,17H,14-16,27H2,1H3,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kalvista Pharmaceuticals Limited US Patent					Assay Description KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori ...				US Patent US9738641 (2017) BindingDB Entry DOI: 10.7270/Q2M047K7
					More data for this Ligand-Target Pair
Kallikrein-1 (Homo sapiens (Human))	BDBM335744 ((4-Aminomethyl-benzyl)-[1-(2-phenyl-thiazol-4-ylme...) Show SMILES NCc1ccc(CNc2nccc3n(Cc4csc(n4)-c4ccccc4)ccc23)cc1 Show InChI InChI=1S/C25H23N5S/c26-14-18-6-8-19(9-7-18)15-28-24-22-11-13-30(23(22)10-12-27-24)16-21-17-31-25(29-21)20-4-2-1-3-5-20/h1-13,17H,14-16,26H2,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kalvista Pharmaceuticals Limited US Patent					Assay Description KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori ...				US Patent US9738641 (2017) BindingDB Entry DOI: 10.7270/Q2M047K7
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM335741 ((4-Aminomethyl-2-methyl-benzyl)-[1-(2-phenyl-thiaz...) Show SMILES Cc1cc(CN)ccc1CNc1nccc2n(Cc3csc(n3)-c3ccccc3)ccc12 Show InChI InChI=1S/C26H25N5S/c1-18-13-19(14-27)7-8-21(18)15-29-25-23-10-12-31(24(23)9-11-28-25)16-22-17-32-26(30-22)20-5-3-2-4-6-20/h2-13,17H,14-16,27H2,1H3,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.59E+3	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 US9738641 (2017) BindingDB Entry DOI: 10.7270/Q2M047K7
					More data for this Ligand-Target Pair
Kallikrein-1 (Homo sapiens (Human))	BDBM335739 (US9738641, 4 | [1-(2-Phenyl-thiazol-4-ylmethyl)-1H...) Show SMILES C(Nc1nccc2n(Cc3csc(n3)-c3ccccc3)ccc12)c1cnc2[nH]ccc2c1 Show InChI InChI=1S/C25H20N6S/c1-2-4-18(5-3-1)25-30-20(16-32-25)15-31-11-8-21-22(31)7-10-27-24(21)29-14-17-12-19-6-9-26-23(19)28-13-17/h1-13,16H,14-15H2,(H,26,28)(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kalvista Pharmaceuticals Limited US Patent					Assay Description KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori ...				US Patent US9738641 (2017) BindingDB Entry DOI: 10.7270/Q2M047K7
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM335745 ((1-Amino-isoquinolin-6-ylmethyl)-{8-[4-(4-methyl-p...) Show SMILES Cc1cnn(Cc2ccc(CN3CCOc4c(NCc5ccc6c(N)nccc6c5)ncnc34)cc2)c1 Show InChI InChI=1S/C28H28N8O/c1-19-13-34-36(15-19)17-21-4-2-20(3-5-21)16-35-10-11-37-25-27(32-18-33-28(25)35)31-14-22-6-7-24-23(12-22)8-9-30-26(24)29/h2-9,12-13,15,18H,10-11,14,16-17H2,1H3,(H2,29,30)(H,31,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.05E+4	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 US9738641 (2017) BindingDB Entry DOI: 10.7270/Q2M047K7
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM335737 (6-[(1-Benzyl-1H-pyrrolo[3,2-c]pyridin-4-ylamino)-m...) Show SMILES Nc1nccc2cc(CNc3nccc4n(Cc5ccccc5)ccc34)ccc12 Show InChI InChI=1S/C24H21N5/c25-23-20-7-6-18(14-19(20)8-11-26-23)15-28-24-21-10-13-29(22(21)9-12-27-24)16-17-4-2-1-3-5-17/h1-14H,15-16H2,(H2,25,26)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.89E+4	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 US9738641 (2017) BindingDB Entry DOI: 10.7270/Q2M047K7
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM335740 ((4-Aminomethyl-benzyl)-[1-(4-phenyl-butyl)-1H-pyrr...) Show SMILES NCc1ccc(CNc2nccc3n(CCCCc4ccccc4)ccc23)cc1 Show InChI InChI=1S/C25H28N4/c26-18-21-9-11-22(12-10-21)19-28-25-23-14-17-29(24(23)13-15-27-25)16-5-4-8-20-6-2-1-3-7-20/h1-3,6-7,9-15,17H,4-5,8,16,18-19,26H2,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90E+4	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 US9738641 (2017) BindingDB Entry DOI: 10.7270/Q2M047K7
					More data for this Ligand-Target Pair
Kallikrein-1 (Homo sapiens (Human))	BDBM335742 (1-{4-[4-(4-Aminomethyl-benzylamino)-pyrrolo[3,2-c]...) Show SMILES NCc1ccc(CNc2nccc3n(Cc4ccc(Cn5ccccc5=O)cc4)ccc23)cc1 Show InChI InChI=1S/C28H27N5O/c29-17-21-4-6-22(7-5-21)18-31-28-25-13-16-32(26(25)12-14-30-28)19-23-8-10-24(11-9-23)20-33-15-2-1-3-27(33)34/h1-16H,17-20,29H2,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.99E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kalvista Pharmaceuticals Limited US Patent					Assay Description KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori ...				US Patent US9738641 (2017) BindingDB Entry DOI: 10.7270/Q2M047K7
					More data for this Ligand-Target Pair
Kallikrein-1 (Homo sapiens (Human))	BDBM335740 ((4-Aminomethyl-benzyl)-[1-(4-phenyl-butyl)-1H-pyrr...) Show SMILES NCc1ccc(CNc2nccc3n(CCCCc4ccccc4)ccc23)cc1 Show InChI InChI=1S/C25H28N4/c26-18-21-9-11-22(12-10-21)19-28-25-23-14-17-29(24(23)13-15-27-25)16-5-4-8-20-6-2-1-3-7-20/h1-3,6-7,9-15,17H,4-5,8,16,18-19,26H2,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.86E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kalvista Pharmaceuticals Limited US Patent					Assay Description KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori ...				US Patent US9738641 (2017) BindingDB Entry DOI: 10.7270/Q2M047K7
					More data for this Ligand-Target Pair