Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Kallikrein-1' and Ligand = 'BDBM408719'   

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))	BDBM408719 (N-[(5-chloro-1-benzothiophen-3-yl)methyl]-3-(metho...) Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1csc2ccc(Cl)cc12 Show InChI InChI=1S/C28H25ClN4O3S/c1-36-17-25-24(28(35)30-13-21-18-37-26-10-9-22(29)12-23(21)26)16-33(31-25)15-20-7-5-19(6-8-20)14-32-11-3-2-4-27(32)34/h2-12,16,18H,13-15,17H2,1H3,(H,30,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+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. Human KLK1 (Callbiochem) was incubated at 25° C. with the fluorog...				US Patent US10364238 (2019) BindingDB Entry DOI: 10.7270/Q2J968QP
					More data for this Ligand-Target Pair
Kallikrein-1 (Homo sapiens (Human))	BDBM408719 (N-[(5-chloro-1-benzothiophen-3-yl)methyl]-3-(metho...) Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1csc2ccc(Cl)cc12 Show InChI InChI=1S/C28H25ClN4O3S/c1-36-17-25-24(28(35)30-13-21-18-37-26-10-9-22(29)12-23(21)26)16-33(31-25)15-20-7-5-19(6-8-20)14-32-11-3-2-4-27(32)34/h2-12,16,18H,13-15,17H2,1H3,(H,30,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	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. Human plasma kallikrein (Protogen) was incubated at 2...				Citation and Details BindingDB Entry DOI: 10.7270/Q25B05N6
					More data for this Ligand-Target Pair
Kallikrein-1 (Homo sapiens (Human))	BDBM408719 (N-[(5-chloro-1-benzothiophen-3-yl)methyl]-3-(metho...) Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1csc2ccc(Cl)cc12 Show InChI InChI=1S/C28H25ClN4O3S/c1-36-17-25-24(28(35)30-13-21-18-37-26-10-9-22(29)12-23(21)26)16-33(31-25)15-20-7-5-19(6-8-20)14-32-11-3-2-4-27(32)34/h2-12,16,18H,13-15,17H2,1H3,(H,30,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+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 US11001578 (2021) BindingDB Entry DOI: 10.7270/Q2PK0K89
					More data for this Ligand-Target Pair
Kallikrein-1 (Homo sapiens (Human))	BDBM408719 (N-[(5-chloro-1-benzothiophen-3-yl)methyl]-3-(metho...) Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1csc2ccc(Cl)cc12 Show InChI InChI=1S/C28H25ClN4O3S/c1-36-17-25-24(28(35)30-13-21-18-37-26-10-9-22(29)12-23(21)26)16-33(31-25)15-20-7-5-19(6-8-20)14-32-11-3-2-4-27(32)34/h2-12,16,18H,13-15,17H2,1H3,(H,30,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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 ...				Citation and Details BindingDB Entry DOI: 10.7270/Q29G5R07
					More data for this Ligand-Target Pair