Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Plasma kallikrein' and Ligand = 'BDBM276767'   

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))	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))	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))	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))	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