Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Plasma kallikrein' and Ligand = 'BDBM276770'   

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))	BDBM276770 (US10071995, Example 4) Show SMILES COc1cn(C(Cc2ccncc2)C(=O)Nc2cc(F)c(s2)C(N)=O)c(=O)cc1-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C26H19ClFN5O4S/c1-37-21-13-33(23(34)10-18(21)17-9-16(27)3-2-15(17)12-29)20(8-14-4-6-31-7-5-14)26(36)32-22-11-19(28)24(38-22)25(30)35/h2-7,9-11,13,20H,8H2,1H3,(H2,30,35)(H,32,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	29	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))	BDBM276770 (US10071995, Example 4) Show SMILES COc1cn(C(Cc2ccncc2)C(=O)Nc2cc(F)c(s2)C(N)=O)c(=O)cc1-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C26H19ClFN5O4S/c1-37-21-13-33(23(34)10-18(21)17-9-16(27)3-2-15(17)12-29)20(8-14-4-6-31-7-5-14)26(36)32-22-11-19(28)24(38-22)25(30)35/h2-7,9-11,13,20H,8H2,1H3,(H2,30,35)(H,32,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	36	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