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 201471 O=Cc1cccnc1 InChI=1S/C6H5NO/c8-5-6-2-1-3-7-4-6/h1-5H QJZUKDFHGGYHMC-UHFFFAOYSA-N 50026863 CHEMBL268493::Nicotinamidase Inhibitor, 16::PncA Inhibitor, 2::Pyridine-3-carbaldehyde Nicotinamidase Saccharomyces cerevisiae 1400 Curated from the literature by BindingDB 10.1021/bi1012518 10.7270/Q2G44NWC 20979384 aid1799844 French, JB; Cen, Y; Vrablik, TL; Xu, P; Allen, E; Hanna-Rose, W; Sauve, AA Cornell University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50026863 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5299&target=Nicotinamidase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50026863&enzyme=Nicotinamidase&column=ki&startPg=0&Increment=50&submit=Search 10371 103936447 CHEMBL268493 C07327 ZINC00158588 1 MKTLIVVDMQNDFISPLGSLTVPKGEELINPISDLMQDADRDWHRIVVTRDWHPSRHISFAKNHKDKEPYSTYTYHSPRPGDDSTQEGILWPVHCVKNTWGSQLVDQIMDQVVTKHIKIVDKGFLTDREYYSAFHDIWNFHKTDMNKYLEKHHTDEVYIVGVALEYCVKATAISAAELGYKTTVLLDYTRPISDDPEVINKVKEELKAHNINVVDK 2H0R,3V8E Nicotinamidase PNC1_YEAST P53184 D6VUA2 201472 Brc1cncc(C=O)c1 InChI=1S/C6H4BrNO/c7-6-1-5(4-9)2-8-3-6/h1-4H NGUVGKAEOFPLDT-UHFFFAOYSA-N 92850 Nicotinamidase Inhibitor, 17 Nicotinamidase Saccharomyces cerevisiae 4000 Curated from the literature by BindingDB 10.1021/bi1012518 10.7270/Q2G44NWC 20979384 aid1799844 French, JB; Cen, Y; Vrablik, TL; Xu, P; Allen, E; Hanna-Rose, W; Sauve, AA Cornell University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=92850 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5299&target=Nicotinamidase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=92850&enzyme=Nicotinamidase&column=ki&startPg=0&Increment=50&submit=Search 2784734 163339985 ZINC02507202 1 MKTLIVVDMQNDFISPLGSLTVPKGEELINPISDLMQDADRDWHRIVVTRDWHPSRHISFAKNHKDKEPYSTYTYHSPRPGDDSTQEGILWPVHCVKNTWGSQLVDQIMDQVVTKHIKIVDKGFLTDREYYSAFHDIWNFHKTDMNKYLEKHHTDEVYIVGVALEYCVKATAISAAELGYKTTVLLDYTRPISDDPEVINKVKEELKAHNINVVDK 2H0R,3V8E Nicotinamidase PNC1_YEAST P53184 D6VUA2 201473 COc1cncc(C=O)c1 InChI=1S/C7H7NO2/c1-10-7-2-6(5-9)3-8-4-7/h2-5H,1H3 YOVIXSRXKCZJRN-UHFFFAOYSA-N 92851 Nicotinamidase Inhibitor, 18 Nicotinamidase Saccharomyces cerevisiae 3800 Curated from the literature by BindingDB 10.1021/bi1012518 10.7270/Q2G44NWC 20979384 aid1799844 French, JB; Cen, Y; Vrablik, TL; Xu, P; Allen, E; Hanna-Rose, W; Sauve, AA Cornell University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=92851 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5299&target=Nicotinamidase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=92851&enzyme=Nicotinamidase&column=ki&startPg=0&Increment=50&submit=Search 10975549 163339986 ZINC06643312 1 MKTLIVVDMQNDFISPLGSLTVPKGEELINPISDLMQDADRDWHRIVVTRDWHPSRHISFAKNHKDKEPYSTYTYHSPRPGDDSTQEGILWPVHCVKNTWGSQLVDQIMDQVVTKHIKIVDKGFLTDREYYSAFHDIWNFHKTDMNKYLEKHHTDEVYIVGVALEYCVKATAISAAELGYKTTVLLDYTRPISDDPEVINKVKEELKAHNINVVDK 2H0R,3V8E Nicotinamidase PNC1_YEAST P53184 D6VUA2 201474 Cc1cncc(C=O)c1 InChI=1S/C7H7NO/c1-6-2-7(5-9)4-8-3-6/h2-5H,1H3 BCSGDXYJDSJMFA-UHFFFAOYSA-N 92852 Nicotinamidase Inhibitor, 19 Nicotinamidase Saccharomyces cerevisiae 650 Curated from the literature by BindingDB 10.1021/bi1012518 10.7270/Q2G44NWC 20979384 aid1799844 French, JB; Cen, Y; Vrablik, TL; Xu, P; Allen, E; Hanna-Rose, W; Sauve, AA Cornell University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=92852 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5299&target=Nicotinamidase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=92852&enzyme=Nicotinamidase&column=ki&startPg=0&Increment=50&submit=Search 14141158 163339987 ZINC14983272 1 MKTLIVVDMQNDFISPLGSLTVPKGEELINPISDLMQDADRDWHRIVVTRDWHPSRHISFAKNHKDKEPYSTYTYHSPRPGDDSTQEGILWPVHCVKNTWGSQLVDQIMDQVVTKHIKIVDKGFLTDREYYSAFHDIWNFHKTDMNKYLEKHHTDEVYIVGVALEYCVKATAISAAELGYKTTVLLDYTRPISDDPEVINKVKEELKAHNINVVDK 2H0R,3V8E Nicotinamidase PNC1_YEAST P53184 D6VUA2 201475 Clc1ncccc1C=O InChI=1S/C6H4ClNO/c7-6-5(4-9)2-1-3-8-6/h1-4H KHPAGGHFIDLUMB-UHFFFAOYSA-N 92853 Nicotinamidase Inhibitor, 20 Nicotinamidase Saccharomyces cerevisiae 500000 Curated from the literature by BindingDB 10.1021/bi1012518 10.7270/Q2G44NWC 20979384 aid1799844 French, JB; Cen, Y; Vrablik, TL; Xu, P; Allen, E; Hanna-Rose, W; Sauve, AA Cornell University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=92853 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5299&target=Nicotinamidase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=92853&enzyme=Nicotinamidase&column=ki&startPg=0&Increment=50&submit=Search 737607 163339988 ZINC00168332 1 MKTLIVVDMQNDFISPLGSLTVPKGEELINPISDLMQDADRDWHRIVVTRDWHPSRHISFAKNHKDKEPYSTYTYHSPRPGDDSTQEGILWPVHCVKNTWGSQLVDQIMDQVVTKHIKIVDKGFLTDREYYSAFHDIWNFHKTDMNKYLEKHHTDEVYIVGVALEYCVKATAISAAELGYKTTVLLDYTRPISDDPEVINKVKEELKAHNINVVDK 2H0R,3V8E Nicotinamidase PNC1_YEAST P53184 D6VUA2 201476 COc1ccncc1C=O InChI=1S/C7H7NO2/c1-10-7-2-3-8-4-6(7)5-9/h2-5H,1H3 QWUFIMUCFQUBOT-UHFFFAOYSA-N 92855 Nicotinamidase Inhibitor, 22 Nicotinamidase Saccharomyces cerevisiae 68000 Curated from the literature by BindingDB 10.1021/bi1012518 10.7270/Q2G44NWC 20979384 aid1799844 French, JB; Cen, Y; Vrablik, TL; Xu, P; Allen, E; Hanna-Rose, W; Sauve, AA Cornell University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=92855 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5299&target=Nicotinamidase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=92855&enzyme=Nicotinamidase&column=ki&startPg=0&Increment=50&submit=Search 11332503 163339990 ZINC08698257 1 MKTLIVVDMQNDFISPLGSLTVPKGEELINPISDLMQDADRDWHRIVVTRDWHPSRHISFAKNHKDKEPYSTYTYHSPRPGDDSTQEGILWPVHCVKNTWGSQLVDQIMDQVVTKHIKIVDKGFLTDREYYSAFHDIWNFHKTDMNKYLEKHHTDEVYIVGVALEYCVKATAISAAELGYKTTVLLDYTRPISDDPEVINKVKEELKAHNINVVDK 2H0R,3V8E Nicotinamidase PNC1_YEAST P53184 D6VUA2 201477 N#Cc1cccnc1 InChI=1S/C6H4N2/c7-4-6-2-1-3-8-5-6/h1-3,5H GZPHSAQLYPIAIN-UHFFFAOYSA-N 92856 Nicotinamidase Inhibitor, 23::PncA Inhibitor, 5 Nicotinamidase Saccharomyces cerevisiae 85000 Curated from the literature by BindingDB 10.1021/bi1012518 10.7270/Q2G44NWC 20979384 aid1799844 French, JB; Cen, Y; Vrablik, TL; Xu, P; Allen, E; Hanna-Rose, W; Sauve, AA Cornell University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=92856 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5299&target=Nicotinamidase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=92856&enzyme=Nicotinamidase&column=ki&startPg=0&Increment=50&submit=Search 79 163339991 ZINC00331637 1 MKTLIVVDMQNDFISPLGSLTVPKGEELINPISDLMQDADRDWHRIVVTRDWHPSRHISFAKNHKDKEPYSTYTYHSPRPGDDSTQEGILWPVHCVKNTWGSQLVDQIMDQVVTKHIKIVDKGFLTDREYYSAFHDIWNFHKTDMNKYLEKHHTDEVYIVGVALEYCVKATAISAAELGYKTTVLLDYTRPISDDPEVINKVKEELKAHNINVVDK 2H0R,3V8E Nicotinamidase PNC1_YEAST P53184 D6VUA2 201478 CC(=O)c1cccnc1 InChI=1S/C7H7NO/c1-6(9)7-3-2-4-8-5-7/h2-5H,1H3 WEGYGNROSJDEIW-UHFFFAOYSA-N 92857 Nicotinamidase Inhibitor, 24 Nicotinamidase Saccharomyces cerevisiae 46000 Curated from the literature by BindingDB 10.1021/bi1012518 10.7270/Q2G44NWC 20979384 aid1799844 French, JB; Cen, Y; Vrablik, TL; Xu, P; Allen, E; Hanna-Rose, W; Sauve, AA Cornell University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=92857 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5299&target=Nicotinamidase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=92857&enzyme=Nicotinamidase&column=ki&startPg=0&Increment=50&submit=Search 9589 163339992 ZINC01587582 1 MKTLIVVDMQNDFISPLGSLTVPKGEELINPISDLMQDADRDWHRIVVTRDWHPSRHISFAKNHKDKEPYSTYTYHSPRPGDDSTQEGILWPVHCVKNTWGSQLVDQIMDQVVTKHIKIVDKGFLTDREYYSAFHDIWNFHKTDMNKYLEKHHTDEVYIVGVALEYCVKATAISAAELGYKTTVLLDYTRPISDDPEVINKVKEELKAHNINVVDK 2H0R,3V8E Nicotinamidase PNC1_YEAST P53184 D6VUA2