BindingDB Reactant_set_id Ligand SMILES Ligand InChI Ligand InChI Key BindingDB MonomerID BindingDB Ligand Name Target Name Target Source Organism According to Curator or DataSource Ki (nM) IC50 (nM) Kd (nM) EC50 (nM) kon (M-1-s-1) koff (s-1) pH Temp (C) Curation/DataSource Article DOI BindingDB Entry DOI PMID PubChem AID Patent Number Authors Institution Link to Ligand in BindingDB Link to Target in BindingDB Link to Ligand-Target Pair in BindingDB Ligand HET ID in PDB PDB ID(s) for Ligand-Target Complex PubChem CID of Ligand PubChem SID of Ligand ChEBI ID of Ligand ChEMBL ID of Ligand DrugBank ID of Ligand IUPHAR_GRAC ID of Ligand KEGG ID of Ligand ZINC ID of Ligand Number of Protein Chains in Target (>1 implies a multichain complex) BindingDB Target Chain Sequence PDB ID(s) of Target Chain UniProt (SwissProt) Recommended Name of Target Chain UniProt (SwissProt) Entry Name of Target Chain UniProt (SwissProt) Primary ID of Target Chain UniProt (SwissProt) Secondary ID(s) of Target Chain UniProt (SwissProt) Alternative ID(s) of Target Chain UniProt (TrEMBL) Submitted Name of Target Chain UniProt (TrEMBL) Entry Name of Target Chain UniProt (TrEMBL) Primary ID of Target Chain UniProt (TrEMBL) Secondary ID(s) of Target Chain UniProt (TrEMBL) Alternative ID(s) of Target Chain 50312754 Cc1ccc(cc1)C(=O)Oc1ccc(cc1C)C(=O)c1ccccc1C InChI=1S/C23H20O3/c1-15-8-10-18(11-9-15)23(25)26-21-13-12-19(14-17(21)3)22(24)20-7-5-4-6-16(20)2/h4-14H,1-3H3 VWAUJIOSZXJQCT-UHFFFAOYSA-N 50169757 Benzoic acid 4-(2-methyl-benzoyl)-phenyl ester::CHEMBL425541 Basic phospholipase A2 PLA-A Trimeresurus flavomaculatus mcgregori 75000 ChEMBL 10.1016/j.bmcl.2005.06.012 10.7270/Q25B021W 15993585 Khanum, SA; Murari, SK; Vishwanth, BS; Shashikanth, S University of Mysore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50169757 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002968&target=Basic+phospholipase+A2+PLA-A&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50169757&enzyme=Basic+phospholipase+A2+PLA-A&column=ki&startPg=0&Increment=50&submit=Search 44395932 104054526 CHEMBL425541 ZINC28393331 1 HLLQFRKMIKKMTGKEPIVSYAFYGCYCGKGGRGKPKDATDRCCFVHDCCYEKVTGCDPKWSYYTYSLEDGDIVCEGDPYCTKVKCECDKKAAICFRDNLKTYKNRYMTFPDIFCTDPTEGC Basic phospholipase A2 PLA-A PA2BA_PROFL P59264 50312758 Cc1ccc(OC(=O)c2ccccc2C)c(c1)C(=O)c1ccccc1C InChI=1S/C23H20O3/c1-15-12-13-21(26-23(25)19-11-7-5-9-17(19)3)20(14-15)22(24)18-10-6-4-8-16(18)2/h4-14H,1-3H3 JWLBZLZIHPDAPA-UHFFFAOYSA-N 50169759 2-Methyl-benzoic acid 4-methyl-2-(2-methyl-benzoyl)-phenyl ester::4-methyl-2-(2-methylbenzoyl)phenyl 2-methylbenzoate::CHEMBL189359 Basic phospholipase A2 PLA-A Trimeresurus flavomaculatus mcgregori 139000 ChEMBL 10.1016/j.bmcl.2005.06.012 10.7270/Q25B021W 15993585 Khanum, SA; Murari, SK; Vishwanth, BS; Shashikanth, S University of Mysore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50169759 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002968&target=Basic+phospholipase+A2+PLA-A&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50169759&enzyme=Basic+phospholipase+A2+PLA-A&column=ki&startPg=0&Increment=50&submit=Search 44396527 104054528 CHEMBL189359 ZINC28458117 1 HLLQFRKMIKKMTGKEPIVSYAFYGCYCGKGGRGKPKDATDRCCFVHDCCYEKVTGCDPKWSYYTYSLEDGDIVCEGDPYCTKVKCECDKKAAICFRDNLKTYKNRYMTFPDIFCTDPTEGC Basic phospholipase A2 PLA-A PA2BA_PROFL P59264 50312762 Cc1cc(ccc1OC(=O)c1ccccc1)C(=O)c1cccc(Cl)c1Cl InChI=1S/C21H14Cl2O3/c1-13-12-15(20(24)16-8-5-9-17(22)19(16)23)10-11-18(13)26-21(25)14-6-3-2-4-7-14/h2-12H,1H3 UWSVSSGDNCREHW-UHFFFAOYSA-N 50169760 Benzoic acid 4-(2,3-dichloro-benzoyl)-2-methyl-phenyl ester::CHEMBL187531 Basic phospholipase A2 PLA-A Trimeresurus flavomaculatus mcgregori 89000 ChEMBL 10.1016/j.bmcl.2005.06.012 10.7270/Q25B021W 15993585 Khanum, SA; Murari, SK; Vishwanth, BS; Shashikanth, S University of Mysore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50169760 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002968&target=Basic+phospholipase+A2+PLA-A&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50169760&enzyme=Basic+phospholipase+A2+PLA-A&column=ki&startPg=0&Increment=50&submit=Search 44396575 104054529 CHEMBL187531 ZINC28396387 1 HLLQFRKMIKKMTGKEPIVSYAFYGCYCGKGGRGKPKDATDRCCFVHDCCYEKVTGCDPKWSYYTYSLEDGDIVCEGDPYCTKVKCECDKKAAICFRDNLKTYKNRYMTFPDIFCTDPTEGC Basic phospholipase A2 PLA-A PA2BA_PROFL P59264 50312763 Cc1ccc(OC(=O)c2ccccc2)c(c1)C(=O)c1ccccc1 InChI=1S/C21H16O3/c1-15-12-13-19(24-21(23)17-10-6-3-7-11-17)18(14-15)20(22)16-8-4-2-5-9-16/h2-14H,1H3 QYMMDDHJIJSMCJ-UHFFFAOYSA-N 50169758 2-benzoyl-4-methylphenyl benzoate::Benzoic acid 2-benzoyl-4-methyl-phenyl ester::CHEMBL186940 Basic phospholipase A2 PLA-A Trimeresurus flavomaculatus mcgregori 69000 ChEMBL 10.1016/j.bmcl.2005.06.012 10.7270/Q25B021W 15993585 Khanum, SA; Murari, SK; Vishwanth, BS; Shashikanth, S University of Mysore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50169758 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002968&target=Basic+phospholipase+A2+PLA-A&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50169758&enzyme=Basic+phospholipase+A2+PLA-A&column=ki&startPg=0&Increment=50&submit=Search 13149648 104054527 CHEMBL186940 ZINC28396026 1 HLLQFRKMIKKMTGKEPIVSYAFYGCYCGKGGRGKPKDATDRCCFVHDCCYEKVTGCDPKWSYYTYSLEDGDIVCEGDPYCTKVKCECDKKAAICFRDNLKTYKNRYMTFPDIFCTDPTEGC Basic phospholipase A2 PLA-A PA2BA_PROFL P59264 50312767 Clc1ccc(OC(=O)c2ccccc2)c(c1)C(=O)c1cccc(Cl)c1Cl InChI=1S/C20H11Cl3O3/c21-13-9-10-17(26-20(25)12-5-2-1-3-6-12)15(11-13)19(24)14-7-4-8-16(22)18(14)23/h1-11H JCVKGUGNMJNQHT-UHFFFAOYSA-N 50169755 4-chloro-2-(2,3-dichlorobenzoyl)phenyl benzoate::Benzoic acid 4-chloro-2-(2,3-dichloro-benzoyl)-phenyl ester::CHEMBL365712 Basic phospholipase A2 PLA-A Trimeresurus flavomaculatus mcgregori 46000 ChEMBL 10.1016/j.bmcl.2005.06.012 10.7270/Q25B021W 15993585 Khanum, SA; Murari, SK; Vishwanth, BS; Shashikanth, S University of Mysore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50169755 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002968&target=Basic+phospholipase+A2+PLA-A&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50169755&enzyme=Basic+phospholipase+A2+PLA-A&column=ki&startPg=0&Increment=50&submit=Search 11711177 104054524 CHEMBL365712 ZINC28463138 1 HLLQFRKMIKKMTGKEPIVSYAFYGCYCGKGGRGKPKDATDRCCFVHDCCYEKVTGCDPKWSYYTYSLEDGDIVCEGDPYCTKVKCECDKKAAICFRDNLKTYKNRYMTFPDIFCTDPTEGC Basic phospholipase A2 PLA-A PA2BA_PROFL P59264 50312771 Cc1ccc(OC(=O)c2cccc(Cl)c2)c(c1)C(=O)c1cccc(Cl)c1 InChI=1S/C21H14Cl2O3/c1-13-8-9-19(26-21(25)15-5-3-7-17(23)12-15)18(10-13)20(24)14-4-2-6-16(22)11-14/h2-12H,1H3 YOUUBXVEPUUUGN-UHFFFAOYSA-N 50169761 2-(3-chlorobenzoyl)-4-methylphenyl 3-chlorobenzoate::3-Chloro-benzoic acid 2-(3-chloro-benzoyl)-4-methyl-phenyl ester::CHEMBL188295 Basic phospholipase A2 PLA-A Trimeresurus flavomaculatus mcgregori 2500 ChEMBL 10.1016/j.bmcl.2005.06.012 10.7270/Q25B021W 15993585 Khanum, SA; Murari, SK; Vishwanth, BS; Shashikanth, S University of Mysore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50169761 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002968&target=Basic+phospholipase+A2+PLA-A&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50169761&enzyme=Basic+phospholipase+A2+PLA-A&column=ki&startPg=0&Increment=50&submit=Search 11596139 104054530 CHEMBL188295 ZINC28458610 1 HLLQFRKMIKKMTGKEPIVSYAFYGCYCGKGGRGKPKDATDRCCFVHDCCYEKVTGCDPKWSYYTYSLEDGDIVCEGDPYCTKVKCECDKKAAICFRDNLKTYKNRYMTFPDIFCTDPTEGC Basic phospholipase A2 PLA-A PA2BA_PROFL P59264 50312776 Cc1ccc(cc1)C(=O)Oc1ccc(C)cc1C(=O)c1ccc(C)cc1 InChI=1S/C23H20O3/c1-15-4-9-18(10-5-15)22(24)20-14-17(3)8-13-21(20)26-23(25)19-11-6-16(2)7-12-19/h4-14H,1-3H3 QVZAYUPDQCYYHT-UHFFFAOYSA-N 50169756 4-Methyl-benzoic acid 4-methyl-2-(4-methyl-benzoyl)-phenyl ester::4-methyl-2-(4-methylbenzoyl)phenyl 4-methylbenzoate::CHEMBL187905 Basic phospholipase A2 PLA-A Trimeresurus flavomaculatus mcgregori 108000 ChEMBL 10.1016/j.bmcl.2005.06.012 10.7270/Q25B021W 15993585 Khanum, SA; Murari, SK; Vishwanth, BS; Shashikanth, S University of Mysore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50169756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002968&target=Basic+phospholipase+A2+PLA-A&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50169756&enzyme=Basic+phospholipase+A2+PLA-A&column=ki&startPg=0&Increment=50&submit=Search 44395854 104054525 CHEMBL187905 ZINC28395619 1 HLLQFRKMIKKMTGKEPIVSYAFYGCYCGKGGRGKPKDATDRCCFVHDCCYEKVTGCDPKWSYYTYSLEDGDIVCEGDPYCTKVKCECDKKAAICFRDNLKTYKNRYMTFPDIFCTDPTEGC Basic phospholipase A2 PLA-A PA2BA_PROFL P59264 50499949 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1 WCGUUGGRBIKTOS-GPOJBZKASA-N 50148911 (3beta)-3-hydroxyurs-12-en-28-oic acid::3beta-hydroxyurs-12-en-28-oic acid::CHEMBL169::Ursolic acid::malol::prunol::urson Basic phospholipase A2 PLA-A Trimeresurus flavomaculatus mcgregori 2500 ChEMBL 10.1016/j.bmcl.2005.06.012 10.7270/Q25B021W 15993585 Khanum, SA; Murari, SK; Vishwanth, BS; Shashikanth, S University of Mysore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50148911 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002968&target=Basic+phospholipase+A2+PLA-A&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50148911&enzyme=Basic+phospholipase+A2+PLA-A&column=ki&startPg=0&Increment=50&submit=Search 6Q5 64945 104037097 9908 CHEMBL169 C08988 ZINC03978827 1 HLLQFRKMIKKMTGKEPIVSYAFYGCYCGKGGRGKPKDATDRCCFVHDCCYEKVTGCDPKWSYYTYSLEDGDIVCEGDPYCTKVKCECDKKAAICFRDNLKTYKNRYMTFPDIFCTDPTEGC Basic phospholipase A2 PLA-A PA2BA_PROFL P59264