Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with Target = 'Serine protease SplB'   

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
Serine protease SplB (Staphylococcus aureus)	BDBM50395595 (CHEMBL2165309) Show SMILES CC(C)CC(NC(=O)C(CCC(N)=O)NC(=O)OCc1ccccc1)C(=O)NC(CCC(N)=O)P(=O)(Oc1ccccc1)Oc1ccccc1 Show InChI InChI=1S/C35H44N5O9P/c1-24(2)22-29(38-33(43)28(18-19-30(36)41)39-35(45)47-23-25-12-6-3-7-13-25)34(44)40-32(21-20-31(37)42)50(46,48-26-14-8-4-9-15-26)49-27-16-10-5-11-17-27/h3-17,24,28-29,32H,18-23H2,1-2H3,(H2,36,41)(H2,37,42)(H,38,43)(H,39,45)(H,40,44)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wroclaw University of Technology Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus SplB using fluorogenic Ac-Tro-Glu-Leu-Gln-ACC as substrate by spectrofluorometry				Bioorg Med Chem Lett 22: 5574-8 (2012) Article DOI: 10.1016/j.bmcl.2012.07.011 BindingDB Entry DOI: 10.7270/Q28W3FDZ
					More data for this Ligand-Target Pair
Serine protease SplB (Staphylococcus aureus)	BDBM50395592 (CHEMBL2165312) Show SMILES CCc1ccc(OP(=O)(Oc2ccc(CC)cc2)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CCC(N)=O)NC(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C39H52N5O9P/c1-5-27-12-16-30(17-13-27)52-54(50,53-31-18-14-28(6-2)15-19-31)36(23-22-35(41)46)44-38(48)33(24-26(3)4)42-37(47)32(20-21-34(40)45)43-39(49)51-25-29-10-8-7-9-11-29/h7-19,26,32-33,36H,5-6,20-25H2,1-4H3,(H2,40,45)(H2,41,46)(H,42,47)(H,43,49)(H,44,48)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wroclaw University of Technology Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus SplB using fluorogenic Ac-Tro-Glu-Leu-Gln-ACC as substrate by spectrofluorometry				Bioorg Med Chem Lett 22: 5574-8 (2012) Article DOI: 10.1016/j.bmcl.2012.07.011 BindingDB Entry DOI: 10.7270/Q28W3FDZ
					More data for this Ligand-Target Pair
Serine protease SplB (Staphylococcus aureus)	BDBM50395594 (CHEMBL2165310) Show SMILES COc1ccc(OP(=O)(Oc2ccc(OC)cc2)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CCC(N)=O)NC(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C37H48N5O11P/c1-24(2)22-31(40-35(45)30(18-19-32(38)43)41-37(47)51-23-25-8-6-5-7-9-25)36(46)42-34(21-20-33(39)44)54(48,52-28-14-10-26(49-3)11-15-28)53-29-16-12-27(50-4)13-17-29/h5-17,24,30-31,34H,18-23H2,1-4H3,(H2,38,43)(H2,39,44)(H,40,45)(H,41,47)(H,42,46)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wroclaw University of Technology Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus SplB using fluorogenic Ac-Tro-Glu-Leu-Gln-ACC as substrate by spectrofluorometry				Bioorg Med Chem Lett 22: 5574-8 (2012) Article DOI: 10.1016/j.bmcl.2012.07.011 BindingDB Entry DOI: 10.7270/Q28W3FDZ
					More data for this Ligand-Target Pair
Serine protease SplB (Staphylococcus aureus)	BDBM50395593 (CHEMBL2165311) Show SMILES CC(C)CC(NC(=O)C(CCC(N)=O)NC(=O)OCc1ccccc1)C(=O)NC(CCC(N)=O)P(=O)(Oc1ccc(cc1)C(C)(C)C)Oc1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C43H60N5O9P/c1-28(2)26-35(46-39(51)34(22-23-36(44)49)47-41(53)55-27-29-12-10-9-11-13-29)40(52)48-38(25-24-37(45)50)58(54,56-32-18-14-30(15-19-32)42(3,4)5)57-33-20-16-31(17-21-33)43(6,7)8/h9-21,28,34-35,38H,22-27H2,1-8H3,(H2,44,49)(H2,45,50)(H,46,51)(H,47,53)(H,48,52)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.45E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wroclaw University of Technology Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus SplB using fluorogenic Ac-Tro-Glu-Leu-Gln-ACC as substrate by spectrofluorometry				Bioorg Med Chem Lett 22: 5574-8 (2012) Article DOI: 10.1016/j.bmcl.2012.07.011 BindingDB Entry DOI: 10.7270/Q28W3FDZ
					More data for this Ligand-Target Pair
Serine protease SplB (Staphylococcus aureus)	BDBM50395600 (CHEMBL2165304) Show SMILES CCc1ccc(OP(=O)(Oc2ccc(CC)cc2)C(CCC(N)=O)NC(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C28H33N2O6P/c1-3-21-10-14-24(15-11-21)35-37(33,36-25-16-12-22(4-2)13-17-25)27(19-18-26(29)31)30-28(32)34-20-23-8-6-5-7-9-23/h5-17,27H,3-4,18-20H2,1-2H3,(H2,29,31)(H,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wroclaw University of Technology Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus SplB using fluorogenic Ac-Tro-Glu-Leu-Gln-ACC as substrate by spectrofluorometry				Bioorg Med Chem Lett 22: 5574-8 (2012) Article DOI: 10.1016/j.bmcl.2012.07.011 BindingDB Entry DOI: 10.7270/Q28W3FDZ
					More data for this Ligand-Target Pair
Serine protease SplB (Staphylococcus aureus)	BDBM50395601 (CHEMBL2165303) Show SMILES CC(C)(C)c1ccc(OP(=O)(Oc2ccc(cc2)C(C)(C)C)C(CCC(N)=O)NC(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C32H41N2O6P/c1-31(2,3)24-12-16-26(17-13-24)39-41(37,40-27-18-14-25(15-19-27)32(4,5)6)29(21-20-28(33)35)34-30(36)38-22-23-10-8-7-9-11-23/h7-19,29H,20-22H2,1-6H3,(H2,33,35)(H,34,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wroclaw University of Technology Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus SplB using fluorogenic Ac-Tro-Glu-Leu-Gln-ACC as substrate by spectrofluorometry				Bioorg Med Chem Lett 22: 5574-8 (2012) Article DOI: 10.1016/j.bmcl.2012.07.011 BindingDB Entry DOI: 10.7270/Q28W3FDZ
					More data for this Ligand-Target Pair
Serine protease SplB (Staphylococcus aureus)	BDBM50395602 (CHEMBL2165302) Show SMILES COc1ccc(OP(=O)(Oc2ccc(OC)cc2)C(CCC(N)=O)NC(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C26H29N2O8P/c1-32-20-8-12-22(13-9-20)35-37(31,36-23-14-10-21(33-2)11-15-23)25(17-16-24(27)29)28-26(30)34-18-19-6-4-3-5-7-19/h3-15,25H,16-18H2,1-2H3,(H2,27,29)(H,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wroclaw University of Technology Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus SplB using fluorogenic Ac-Tro-Glu-Leu-Gln-ACC as substrate by spectrofluorometry				Bioorg Med Chem Lett 22: 5574-8 (2012) Article DOI: 10.1016/j.bmcl.2012.07.011 BindingDB Entry DOI: 10.7270/Q28W3FDZ
					More data for this Ligand-Target Pair
Serine protease SplB (Staphylococcus aureus)	BDBM50395599 (CHEMBL2165305) Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(CCC(N)=O)P(=O)(Oc1ccccc1)Oc1ccccc1 Show InChI InChI=1S/C30H36N3O7P/c1-22(2)20-26(32-30(36)38-21-23-12-6-3-7-13-23)29(35)33-28(19-18-27(31)34)41(37,39-24-14-8-4-9-15-24)40-25-16-10-5-11-17-25/h3-17,22,26,28H,18-21H2,1-2H3,(H2,31,34)(H,32,36)(H,33,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wroclaw University of Technology Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus SplB using fluorogenic Ac-Tro-Glu-Leu-Gln-ACC as substrate by spectrofluorometry				Bioorg Med Chem Lett 22: 5574-8 (2012) Article DOI: 10.1016/j.bmcl.2012.07.011 BindingDB Entry DOI: 10.7270/Q28W3FDZ
					More data for this Ligand-Target Pair
Serine protease SplB (Staphylococcus aureus)	BDBM50395598 (CHEMBL2165306) Show SMILES COc1ccc(OP(=O)(Oc2ccc(OC)cc2)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C32H40N3O9P/c1-22(2)20-28(34-32(38)42-21-23-8-6-5-7-9-23)31(37)35-30(19-18-29(33)36)45(39,43-26-14-10-24(40-3)11-15-26)44-27-16-12-25(41-4)13-17-27/h5-17,22,28,30H,18-21H2,1-4H3,(H2,33,36)(H,34,38)(H,35,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wroclaw University of Technology Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus SplB using fluorogenic Ac-Tro-Glu-Leu-Gln-ACC as substrate by spectrofluorometry				Bioorg Med Chem Lett 22: 5574-8 (2012) Article DOI: 10.1016/j.bmcl.2012.07.011 BindingDB Entry DOI: 10.7270/Q28W3FDZ
					More data for this Ligand-Target Pair
Serine protease SplB (Staphylococcus aureus)	BDBM50395603 (CHEMBL2165301) Show SMILES NC(=O)CCC(NC(=O)OCc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1 Show InChI InChI=1S/C24H25N2O6P/c25-22(27)16-17-23(26-24(28)30-18-19-10-4-1-5-11-19)33(29,31-20-12-6-2-7-13-20)32-21-14-8-3-9-15-21/h1-15,23H,16-18H2,(H2,25,27)(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wroclaw University of Technology Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus SplB using fluorogenic Ac-Tro-Glu-Leu-Gln-ACC as substrate by spectrofluorometry				Bioorg Med Chem Lett 22: 5574-8 (2012) Article DOI: 10.1016/j.bmcl.2012.07.011 BindingDB Entry DOI: 10.7270/Q28W3FDZ
					More data for this Ligand-Target Pair
Serine protease SplB (Staphylococcus aureus)	BDBM50395596 (CHEMBL2165308) Show SMILES CCc1ccc(OP(=O)(Oc2ccc(CC)cc2)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C34H44N3O7P/c1-5-25-12-16-28(17-13-25)43-45(41,44-29-18-14-26(6-2)15-19-29)32(21-20-31(35)38)37-33(39)30(22-24(3)4)36-34(40)42-23-27-10-8-7-9-11-27/h7-19,24,30,32H,5-6,20-23H2,1-4H3,(H2,35,38)(H,36,40)(H,37,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wroclaw University of Technology Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus SplB using fluorogenic Ac-Tro-Glu-Leu-Gln-ACC as substrate by spectrofluorometry				Bioorg Med Chem Lett 22: 5574-8 (2012) Article DOI: 10.1016/j.bmcl.2012.07.011 BindingDB Entry DOI: 10.7270/Q28W3FDZ
					More data for this Ligand-Target Pair
Serine protease SplB (Staphylococcus aureus)	BDBM50395597 (CHEMBL2165307) Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(CCC(N)=O)P(=O)(Oc1ccc(cc1)C(C)(C)C)Oc1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C38H52N3O7P/c1-26(2)24-32(40-36(44)46-25-27-12-10-9-11-13-27)35(43)41-34(23-22-33(39)42)49(45,47-30-18-14-28(15-19-30)37(3,4)5)48-31-20-16-29(17-21-31)38(6,7)8/h9-21,26,32,34H,22-25H2,1-8H3,(H2,39,42)(H,40,44)(H,41,43)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wroclaw University of Technology Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus SplB using fluorogenic Ac-Tro-Glu-Leu-Gln-ACC as substrate by spectrofluorometry				Bioorg Med Chem Lett 22: 5574-8 (2012) Article DOI: 10.1016/j.bmcl.2012.07.011 BindingDB Entry DOI: 10.7270/Q28W3FDZ
					More data for this Ligand-Target Pair