Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Plasma kallikrein' and Ligand = 'BDBM335975'   

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))	BDBM335975 (4-(2-(3-(3-chlorophenyl)- 4,5-dihydroisoxazole-5- ...) Show SMILES OC(=O)c1ccc(NC(=O)C2N(CCc3c2cccc3N2CCC(CC2)N2CCCC2)C(=O)C2CC(=NO2)c2cccc(Cl)c2)cc1 |c:39| Show InChI InChI=1S/C36H38ClN5O5/c37-25-6-3-5-24(21-25)30-22-32(47-39-30)35(44)42-20-15-28-29(33(42)34(43)38-26-11-9-23(10-12-26)36(45)46)7-4-8-31(28)41-18-13-27(14-19-41)40-16-1-2-17-40/h3-12,21,27,32-33H,1-2,13-20,22H2,(H,38,43)(H,45,46)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. De...				US Patent US9738655 (2017) BindingDB Entry DOI: 10.7270/Q2BG2R3R
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM335975 (4-(2-(3-(3-chlorophenyl)- 4,5-dihydroisoxazole-5- ...) Show SMILES OC(=O)c1ccc(NC(=O)C2N(CCc3c2cccc3N2CCC(CC2)N2CCCC2)C(=O)C2CC(=NO2)c2cccc(Cl)c2)cc1 |c:39| Show InChI InChI=1S/C36H38ClN5O5/c37-25-6-3-5-24(21-25)30-22-32(47-39-30)35(44)42-20-15-28-29(33(42)34(43)38-26-11-9-23(10-12-26)36(45)46)7-4-8-31(28)41-18-13-27(14-19-41)40-16-1-2-17-40/h3-12,21,27,32-33H,1-2,13-20,22H2,(H,38,43)(H,45,46)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. De...				US Patent US9738655 (2017) BindingDB Entry DOI: 10.7270/Q2BG2R3R
					More data for this Ligand-Target Pair