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 51495307 CC(C)[C@H]1CO[C@]23CCN(Cc4ccccc4)C[C@H]2CCC(=O)N13 InChI=1S/C20H28N2O2/c1-15(2)18-14-24-20-10-11-21(12-16-6-4-3-5-7-16)13-17(20)8-9-19(23)22(18)20/h3-7,15,17-18H,8-14H2,1-2H3/t17-,18-,20-/m1/s1 XJYVCBMQCHHPSW-QWFCFKBJSA-N 50602366 CHEMBL5182198 Type II NADH:quinone oxidoreductase Ndh 340 ChEMBL 10.7270/Q24F1VTT 36473699 Dam, S; Tangara, S; Hamela, C; Hattabi, T; Faïon, L; Carre, P; Antoine, R; Herledan, A; Leroux, F; Piveteau, C; Eveque, M; Flipo, M; Deprez, B; Kremer, L; Willand, N; Villemagne, B; Hartkoorn, RC CNRS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50602366 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001359&target=Type+II+NADH%3Aquinone+oxidoreductase+Ndh&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50602366&enzyme=Type+II+NADH%3Aquinone+oxidoreductase+Ndh&column=ki&startPg=0&Increment=50&submit=Search 168275580 482613217 1 MSPQQEPTAQPPRRHRVVIIGSGFGGLNAAKKLKRADVDIKLIARTTHHLFQPLLYQVATGIISEGEIAPPTRVVLRKQRNVQVLLGNVTHIDLAGQCVVSELLGHTYQTPYDSLIVAAGAGQSYFGNDHFAEFAPGMKSIDDALELRGRILSAFEQAERSSDPERRAKLLTFTVVGAGPTGVEMAGQIAELAEHTLKGAFRHIDSTKARVILLDAAPAVLPPMGAKLGQRAAARLQKLGVEIQLGAMVTDVDRNGITVKDSDGTVRRIESACKVWSAGVSASRLGRDLAEQSRVELDRAGRVQVLPDLSIPGYPNVFVVGDMAAVEGVPGVAQGAIQGAKYVASTIKAELAGANPAEREPFQYFDKGSMATVSRFSAVAKIGPVEFSGFIAWLIWLVLHLAYLIGFKTKITTLLSWTVTFLSTRRGQLTITDQQAFARTRLEQLAELAAEAQGSAASAKVAS Type II NADH:quinone oxidoreductase Ndh NDH_MYCTU P95160 F2GI96 I6XZ55 Q7D7W7 51495308 COc1ccc(CN2CC[C@]34OC[C@H](C(C)C)N3C(=O)CC[C@@H]4C2)cc1 InChI=1S/C21H30N2O3/c1-15(2)19-14-26-21-10-11-22(12-16-4-7-18(25-3)8-5-16)13-17(21)6-9-20(24)23(19)21/h4-5,7-8,15,17,19H,6,9-14H2,1-3H3/t17-,19-,21-/m1/s1 YLBHJBBTUJVMCK-YFVAEKQCSA-N 50602367 CHEMBL5206556 Type II NADH:quinone oxidoreductase Ndh 200 ChEMBL 10.7270/Q24F1VTT 36473699 Dam, S; Tangara, S; Hamela, C; Hattabi, T; Faïon, L; Carre, P; Antoine, R; Herledan, A; Leroux, F; Piveteau, C; Eveque, M; Flipo, M; Deprez, B; Kremer, L; Willand, N; Villemagne, B; Hartkoorn, RC CNRS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50602367 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001359&target=Type+II+NADH%3Aquinone+oxidoreductase+Ndh&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50602367&enzyme=Type+II+NADH%3Aquinone+oxidoreductase+Ndh&column=ki&startPg=0&Increment=50&submit=Search 168296252 482613218 1 MSPQQEPTAQPPRRHRVVIIGSGFGGLNAAKKLKRADVDIKLIARTTHHLFQPLLYQVATGIISEGEIAPPTRVVLRKQRNVQVLLGNVTHIDLAGQCVVSELLGHTYQTPYDSLIVAAGAGQSYFGNDHFAEFAPGMKSIDDALELRGRILSAFEQAERSSDPERRAKLLTFTVVGAGPTGVEMAGQIAELAEHTLKGAFRHIDSTKARVILLDAAPAVLPPMGAKLGQRAAARLQKLGVEIQLGAMVTDVDRNGITVKDSDGTVRRIESACKVWSAGVSASRLGRDLAEQSRVELDRAGRVQVLPDLSIPGYPNVFVVGDMAAVEGVPGVAQGAIQGAKYVASTIKAELAGANPAEREPFQYFDKGSMATVSRFSAVAKIGPVEFSGFIAWLIWLVLHLAYLIGFKTKITTLLSWTVTFLSTRRGQLTITDQQAFARTRLEQLAELAAEAQGSAASAKVAS Type II NADH:quinone oxidoreductase Ndh NDH_MYCTU P95160 F2GI96 I6XZ55 Q7D7W7 51495309 CC(C)[C@H]1CO[C@]23CCN(Cc4ccc(Cl)cc4)C[C@H]2CCC(=O)N13 InChI=1S/C20H27ClN2O2/c1-14(2)18-13-25-20-9-10-22(11-15-3-6-17(21)7-4-15)12-16(20)5-8-19(24)23(18)20/h3-4,6-7,14,16,18H,5,8-13H2,1-2H3/t16-,18-,20-/m1/s1 ODUYWULJYRWPSN-YVWKXTFCSA-N 50602368 CHEMBL5171834 Type II NADH:quinone oxidoreductase Ndh 28 ChEMBL 10.7270/Q24F1VTT 36473699 Dam, S; Tangara, S; Hamela, C; Hattabi, T; Faïon, L; Carre, P; Antoine, R; Herledan, A; Leroux, F; Piveteau, C; Eveque, M; Flipo, M; Deprez, B; Kremer, L; Willand, N; Villemagne, B; Hartkoorn, RC CNRS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50602368 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001359&target=Type+II+NADH%3Aquinone+oxidoreductase+Ndh&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50602368&enzyme=Type+II+NADH%3Aquinone+oxidoreductase+Ndh&column=ki&startPg=0&Increment=50&submit=Search 168270488 482613219 1 MSPQQEPTAQPPRRHRVVIIGSGFGGLNAAKKLKRADVDIKLIARTTHHLFQPLLYQVATGIISEGEIAPPTRVVLRKQRNVQVLLGNVTHIDLAGQCVVSELLGHTYQTPYDSLIVAAGAGQSYFGNDHFAEFAPGMKSIDDALELRGRILSAFEQAERSSDPERRAKLLTFTVVGAGPTGVEMAGQIAELAEHTLKGAFRHIDSTKARVILLDAAPAVLPPMGAKLGQRAAARLQKLGVEIQLGAMVTDVDRNGITVKDSDGTVRRIESACKVWSAGVSASRLGRDLAEQSRVELDRAGRVQVLPDLSIPGYPNVFVVGDMAAVEGVPGVAQGAIQGAKYVASTIKAELAGANPAEREPFQYFDKGSMATVSRFSAVAKIGPVEFSGFIAWLIWLVLHLAYLIGFKTKITTLLSWTVTFLSTRRGQLTITDQQAFARTRLEQLAELAAEAQGSAASAKVAS Type II NADH:quinone oxidoreductase Ndh NDH_MYCTU P95160 F2GI96 I6XZ55 Q7D7W7 51495310 CC(C)[C@H]1CO[C@]23CCN(Cc4ccc(cc4)C(F)(F)F)C[C@H]2CCC(=O)N13 InChI=1S/C21H27F3N2O2/c1-14(2)18-13-28-20-9-10-25(12-17(20)7-8-19(27)26(18)20)11-15-3-5-16(6-4-15)21(22,23)24/h3-6,14,17-18H,7-13H2,1-2H3/t17-,18-,20-/m1/s1 PAMPCWHQTAFLOF-QWFCFKBJSA-N 50602369 CHEMBL5201484 Type II NADH:quinone oxidoreductase Ndh 12 ChEMBL 10.7270/Q24F1VTT 36473699 Dam, S; Tangara, S; Hamela, C; Hattabi, T; Faïon, L; Carre, P; Antoine, R; Herledan, A; Leroux, F; Piveteau, C; Eveque, M; Flipo, M; Deprez, B; Kremer, L; Willand, N; Villemagne, B; Hartkoorn, RC CNRS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50602369 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001359&target=Type+II+NADH%3Aquinone+oxidoreductase+Ndh&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50602369&enzyme=Type+II+NADH%3Aquinone+oxidoreductase+Ndh&column=ki&startPg=0&Increment=50&submit=Search 168291879 482613220 1 MSPQQEPTAQPPRRHRVVIIGSGFGGLNAAKKLKRADVDIKLIARTTHHLFQPLLYQVATGIISEGEIAPPTRVVLRKQRNVQVLLGNVTHIDLAGQCVVSELLGHTYQTPYDSLIVAAGAGQSYFGNDHFAEFAPGMKSIDDALELRGRILSAFEQAERSSDPERRAKLLTFTVVGAGPTGVEMAGQIAELAEHTLKGAFRHIDSTKARVILLDAAPAVLPPMGAKLGQRAAARLQKLGVEIQLGAMVTDVDRNGITVKDSDGTVRRIESACKVWSAGVSASRLGRDLAEQSRVELDRAGRVQVLPDLSIPGYPNVFVVGDMAAVEGVPGVAQGAIQGAKYVASTIKAELAGANPAEREPFQYFDKGSMATVSRFSAVAKIGPVEFSGFIAWLIWLVLHLAYLIGFKTKITTLLSWTVTFLSTRRGQLTITDQQAFARTRLEQLAELAAEAQGSAASAKVAS Type II NADH:quinone oxidoreductase Ndh NDH_MYCTU P95160 F2GI96 I6XZ55 Q7D7W7 51495311 CC(C)[C@H]1CO[C@]23CCN(Cc4ccc(OC(F)(F)F)cc4)C[C@H]2CCC(=O)N13 InChI=1S/C21H27F3N2O3/c1-14(2)18-13-28-20-9-10-25(12-16(20)5-8-19(27)26(18)20)11-15-3-6-17(7-4-15)29-21(22,23)24/h3-4,6-7,14,16,18H,5,8-13H2,1-2H3/t16-,18-,20-/m1/s1 NELFXUPMACHOGC-YVWKXTFCSA-N 50602370 CHEMBL5186518 Type II NADH:quinone oxidoreductase Ndh 12 ChEMBL 10.7270/Q24F1VTT 36473699 Dam, S; Tangara, S; Hamela, C; Hattabi, T; Faïon, L; Carre, P; Antoine, R; Herledan, A; Leroux, F; Piveteau, C; Eveque, M; Flipo, M; Deprez, B; Kremer, L; Willand, N; Villemagne, B; Hartkoorn, RC CNRS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50602370 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001359&target=Type+II+NADH%3Aquinone+oxidoreductase+Ndh&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50602370&enzyme=Type+II+NADH%3Aquinone+oxidoreductase+Ndh&column=ki&startPg=0&Increment=50&submit=Search 168279913 482613221 1 MSPQQEPTAQPPRRHRVVIIGSGFGGLNAAKKLKRADVDIKLIARTTHHLFQPLLYQVATGIISEGEIAPPTRVVLRKQRNVQVLLGNVTHIDLAGQCVVSELLGHTYQTPYDSLIVAAGAGQSYFGNDHFAEFAPGMKSIDDALELRGRILSAFEQAERSSDPERRAKLLTFTVVGAGPTGVEMAGQIAELAEHTLKGAFRHIDSTKARVILLDAAPAVLPPMGAKLGQRAAARLQKLGVEIQLGAMVTDVDRNGITVKDSDGTVRRIESACKVWSAGVSASRLGRDLAEQSRVELDRAGRVQVLPDLSIPGYPNVFVVGDMAAVEGVPGVAQGAIQGAKYVASTIKAELAGANPAEREPFQYFDKGSMATVSRFSAVAKIGPVEFSGFIAWLIWLVLHLAYLIGFKTKITTLLSWTVTFLSTRRGQLTITDQQAFARTRLEQLAELAAEAQGSAASAKVAS Type II NADH:quinone oxidoreductase Ndh NDH_MYCTU P95160 F2GI96 I6XZ55 Q7D7W7 51495312 CC(C)[C@H]1CO[C@]23CCN(Cc4ccc(nc4)C(F)(F)F)C[C@H]2CCC(=O)N13 InChI=1S/C20H26F3N3O2/c1-13(2)16-12-28-19-7-8-25(11-15(19)4-6-18(27)26(16)19)10-14-3-5-17(24-9-14)20(21,22)23/h3,5,9,13,15-16H,4,6-8,10-12H2,1-2H3/t15-,16-,19-/m1/s1 SSCSXGXGTCGKOK-GPMSIDNRSA-N 50602371 CHEMBL5202255 Type II NADH:quinone oxidoreductase Ndh 32 ChEMBL 10.7270/Q24F1VTT 36473699 Dam, S; Tangara, S; Hamela, C; Hattabi, T; Faïon, L; Carre, P; Antoine, R; Herledan, A; Leroux, F; Piveteau, C; Eveque, M; Flipo, M; Deprez, B; Kremer, L; Willand, N; Villemagne, B; Hartkoorn, RC CNRS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50602371 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001359&target=Type+II+NADH%3Aquinone+oxidoreductase+Ndh&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50602371&enzyme=Type+II+NADH%3Aquinone+oxidoreductase+Ndh&column=ki&startPg=0&Increment=50&submit=Search 168292664 482613222 1 MSPQQEPTAQPPRRHRVVIIGSGFGGLNAAKKLKRADVDIKLIARTTHHLFQPLLYQVATGIISEGEIAPPTRVVLRKQRNVQVLLGNVTHIDLAGQCVVSELLGHTYQTPYDSLIVAAGAGQSYFGNDHFAEFAPGMKSIDDALELRGRILSAFEQAERSSDPERRAKLLTFTVVGAGPTGVEMAGQIAELAEHTLKGAFRHIDSTKARVILLDAAPAVLPPMGAKLGQRAAARLQKLGVEIQLGAMVTDVDRNGITVKDSDGTVRRIESACKVWSAGVSASRLGRDLAEQSRVELDRAGRVQVLPDLSIPGYPNVFVVGDMAAVEGVPGVAQGAIQGAKYVASTIKAELAGANPAEREPFQYFDKGSMATVSRFSAVAKIGPVEFSGFIAWLIWLVLHLAYLIGFKTKITTLLSWTVTFLSTRRGQLTITDQQAFARTRLEQLAELAAEAQGSAASAKVAS Type II NADH:quinone oxidoreductase Ndh NDH_MYCTU P95160 F2GI96 I6XZ55 Q7D7W7 51495313 CC(C)[C@H]1CO[C@]23CCN(Cc4ccccc4)C[C@H]2CCC(=O)N13 InChI=1S/C20H28N2O2/c1-15(2)18-14-24-20-10-11-21(12-16-6-4-3-5-7-16)13-17(20)8-9-19(23)22(18)20/h3-7,15,17-18H,8-14H2,1-2H3/t17-,18-,20-/m1/s1 XJYVCBMQCHHPSW-QWFCFKBJSA-N 50602366 CHEMBL5182198 Type II NADH:quinone oxidoreductase Ndh 470 ChEMBL 10.7270/Q24F1VTT 36473699 Dam, S; Tangara, S; Hamela, C; Hattabi, T; Faïon, L; Carre, P; Antoine, R; Herledan, A; Leroux, F; Piveteau, C; Eveque, M; Flipo, M; Deprez, B; Kremer, L; Willand, N; Villemagne, B; Hartkoorn, RC CNRS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50602366 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001359&target=Type+II+NADH%3Aquinone+oxidoreductase+Ndh&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50602366&enzyme=Type+II+NADH%3Aquinone+oxidoreductase+Ndh&column=ki&startPg=0&Increment=50&submit=Search 168275580 482613217 1 MSPQQEPTAQPPRRHRVVIIGSGFGGLNAAKKLKRADVDIKLIARTTHHLFQPLLYQVATGIISEGEIAPPTRVVLRKQRNVQVLLGNVTHIDLAGQCVVSELLGHTYQTPYDSLIVAAGAGQSYFGNDHFAEFAPGMKSIDDALELRGRILSAFEQAERSSDPERRAKLLTFTVVGAGPTGVEMAGQIAELAEHTLKGAFRHIDSTKARVILLDAAPAVLPPMGAKLGQRAAARLQKLGVEIQLGAMVTDVDRNGITVKDSDGTVRRIESACKVWSAGVSASRLGRDLAEQSRVELDRAGRVQVLPDLSIPGYPNVFVVGDMAAVEGVPGVAQGAIQGAKYVASTIKAELAGANPAEREPFQYFDKGSMATVSRFSAVAKIGPVEFSGFIAWLIWLVLHLAYLIGFKTKITTLLSWTVTFLSTRRGQLTITDQQAFARTRLEQLAELAAEAQGSAASAKVAS Type II NADH:quinone oxidoreductase Ndh NDH_MYCTU P95160 F2GI96 I6XZ55 Q7D7W7 51495314 COc1ccc(CN2CC[C@]34OC[C@H](C(C)C)N3C(=O)CC[C@@H]4C2)cc1 InChI=1S/C21H30N2O3/c1-15(2)19-14-26-21-10-11-22(12-16-4-7-18(25-3)8-5-16)13-17(21)6-9-20(24)23(19)21/h4-5,7-8,15,17,19H,6,9-14H2,1-3H3/t17-,19-,21-/m1/s1 YLBHJBBTUJVMCK-YFVAEKQCSA-N 50602367 CHEMBL5206556 Type II NADH:quinone oxidoreductase Ndh 890 ChEMBL 10.7270/Q24F1VTT 36473699 Dam, S; Tangara, S; Hamela, C; Hattabi, T; Faïon, L; Carre, P; Antoine, R; Herledan, A; Leroux, F; Piveteau, C; Eveque, M; Flipo, M; Deprez, B; Kremer, L; Willand, N; Villemagne, B; Hartkoorn, RC CNRS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50602367 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001359&target=Type+II+NADH%3Aquinone+oxidoreductase+Ndh&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50602367&enzyme=Type+II+NADH%3Aquinone+oxidoreductase+Ndh&column=ki&startPg=0&Increment=50&submit=Search 168296252 482613218 1 MSPQQEPTAQPPRRHRVVIIGSGFGGLNAAKKLKRADVDIKLIARTTHHLFQPLLYQVATGIISEGEIAPPTRVVLRKQRNVQVLLGNVTHIDLAGQCVVSELLGHTYQTPYDSLIVAAGAGQSYFGNDHFAEFAPGMKSIDDALELRGRILSAFEQAERSSDPERRAKLLTFTVVGAGPTGVEMAGQIAELAEHTLKGAFRHIDSTKARVILLDAAPAVLPPMGAKLGQRAAARLQKLGVEIQLGAMVTDVDRNGITVKDSDGTVRRIESACKVWSAGVSASRLGRDLAEQSRVELDRAGRVQVLPDLSIPGYPNVFVVGDMAAVEGVPGVAQGAIQGAKYVASTIKAELAGANPAEREPFQYFDKGSMATVSRFSAVAKIGPVEFSGFIAWLIWLVLHLAYLIGFKTKITTLLSWTVTFLSTRRGQLTITDQQAFARTRLEQLAELAAEAQGSAASAKVAS Type II NADH:quinone oxidoreductase Ndh NDH_MYCTU P95160 F2GI96 I6XZ55 Q7D7W7 51495315 CC(C)[C@H]1CO[C@]23CCN(Cc4ccc(Cl)cc4)C[C@H]2CCC(=O)N13 InChI=1S/C20H27ClN2O2/c1-14(2)18-13-25-20-9-10-22(11-15-3-6-17(21)7-4-15)12-16(20)5-8-19(24)23(18)20/h3-4,6-7,14,16,18H,5,8-13H2,1-2H3/t16-,18-,20-/m1/s1 ODUYWULJYRWPSN-YVWKXTFCSA-N 50602368 CHEMBL5171834 Type II NADH:quinone oxidoreductase Ndh 42 ChEMBL 10.7270/Q24F1VTT 36473699 Dam, S; Tangara, S; Hamela, C; Hattabi, T; Faïon, L; Carre, P; Antoine, R; Herledan, A; Leroux, F; Piveteau, C; Eveque, M; Flipo, M; Deprez, B; Kremer, L; Willand, N; Villemagne, B; Hartkoorn, RC CNRS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50602368 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001359&target=Type+II+NADH%3Aquinone+oxidoreductase+Ndh&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50602368&enzyme=Type+II+NADH%3Aquinone+oxidoreductase+Ndh&column=ki&startPg=0&Increment=50&submit=Search 168270488 482613219 1 MSPQQEPTAQPPRRHRVVIIGSGFGGLNAAKKLKRADVDIKLIARTTHHLFQPLLYQVATGIISEGEIAPPTRVVLRKQRNVQVLLGNVTHIDLAGQCVVSELLGHTYQTPYDSLIVAAGAGQSYFGNDHFAEFAPGMKSIDDALELRGRILSAFEQAERSSDPERRAKLLTFTVVGAGPTGVEMAGQIAELAEHTLKGAFRHIDSTKARVILLDAAPAVLPPMGAKLGQRAAARLQKLGVEIQLGAMVTDVDRNGITVKDSDGTVRRIESACKVWSAGVSASRLGRDLAEQSRVELDRAGRVQVLPDLSIPGYPNVFVVGDMAAVEGVPGVAQGAIQGAKYVASTIKAELAGANPAEREPFQYFDKGSMATVSRFSAVAKIGPVEFSGFIAWLIWLVLHLAYLIGFKTKITTLLSWTVTFLSTRRGQLTITDQQAFARTRLEQLAELAAEAQGSAASAKVAS Type II NADH:quinone oxidoreductase Ndh NDH_MYCTU P95160 F2GI96 I6XZ55 Q7D7W7 51495316 CC(C)[C@H]1CO[C@]23CCN(Cc4ccc(cc4)C(F)(F)F)C[C@H]2CCC(=O)N13 InChI=1S/C21H27F3N2O2/c1-14(2)18-13-28-20-9-10-25(12-17(20)7-8-19(27)26(18)20)11-15-3-5-16(6-4-15)21(22,23)24/h3-6,14,17-18H,7-13H2,1-2H3/t17-,18-,20-/m1/s1 PAMPCWHQTAFLOF-QWFCFKBJSA-N 50602369 CHEMBL5201484 Type II NADH:quinone oxidoreductase Ndh 37 ChEMBL 10.7270/Q24F1VTT 36473699 Dam, S; Tangara, S; Hamela, C; Hattabi, T; Faïon, L; Carre, P; Antoine, R; Herledan, A; Leroux, F; Piveteau, C; Eveque, M; Flipo, M; Deprez, B; Kremer, L; Willand, N; Villemagne, B; Hartkoorn, RC CNRS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50602369 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001359&target=Type+II+NADH%3Aquinone+oxidoreductase+Ndh&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50602369&enzyme=Type+II+NADH%3Aquinone+oxidoreductase+Ndh&column=ki&startPg=0&Increment=50&submit=Search 168291879 482613220 1 MSPQQEPTAQPPRRHRVVIIGSGFGGLNAAKKLKRADVDIKLIARTTHHLFQPLLYQVATGIISEGEIAPPTRVVLRKQRNVQVLLGNVTHIDLAGQCVVSELLGHTYQTPYDSLIVAAGAGQSYFGNDHFAEFAPGMKSIDDALELRGRILSAFEQAERSSDPERRAKLLTFTVVGAGPTGVEMAGQIAELAEHTLKGAFRHIDSTKARVILLDAAPAVLPPMGAKLGQRAAARLQKLGVEIQLGAMVTDVDRNGITVKDSDGTVRRIESACKVWSAGVSASRLGRDLAEQSRVELDRAGRVQVLPDLSIPGYPNVFVVGDMAAVEGVPGVAQGAIQGAKYVASTIKAELAGANPAEREPFQYFDKGSMATVSRFSAVAKIGPVEFSGFIAWLIWLVLHLAYLIGFKTKITTLLSWTVTFLSTRRGQLTITDQQAFARTRLEQLAELAAEAQGSAASAKVAS Type II NADH:quinone oxidoreductase Ndh NDH_MYCTU P95160 F2GI96 I6XZ55 Q7D7W7 51495317 CC(C)[C@H]1CO[C@]23CCN(Cc4ccc(OC(F)(F)F)cc4)C[C@H]2CCC(=O)N13 InChI=1S/C21H27F3N2O3/c1-14(2)18-13-28-20-9-10-25(12-16(20)5-8-19(27)26(18)20)11-15-3-6-17(7-4-15)29-21(22,23)24/h3-4,6-7,14,16,18H,5,8-13H2,1-2H3/t16-,18-,20-/m1/s1 NELFXUPMACHOGC-YVWKXTFCSA-N 50602370 CHEMBL5186518 Type II NADH:quinone oxidoreductase Ndh 41 ChEMBL 10.7270/Q24F1VTT 36473699 Dam, S; Tangara, S; Hamela, C; Hattabi, T; Faïon, L; Carre, P; Antoine, R; Herledan, A; Leroux, F; Piveteau, C; Eveque, M; Flipo, M; Deprez, B; Kremer, L; Willand, N; Villemagne, B; Hartkoorn, RC CNRS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50602370 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001359&target=Type+II+NADH%3Aquinone+oxidoreductase+Ndh&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50602370&enzyme=Type+II+NADH%3Aquinone+oxidoreductase+Ndh&column=ki&startPg=0&Increment=50&submit=Search 168279913 482613221 1 MSPQQEPTAQPPRRHRVVIIGSGFGGLNAAKKLKRADVDIKLIARTTHHLFQPLLYQVATGIISEGEIAPPTRVVLRKQRNVQVLLGNVTHIDLAGQCVVSELLGHTYQTPYDSLIVAAGAGQSYFGNDHFAEFAPGMKSIDDALELRGRILSAFEQAERSSDPERRAKLLTFTVVGAGPTGVEMAGQIAELAEHTLKGAFRHIDSTKARVILLDAAPAVLPPMGAKLGQRAAARLQKLGVEIQLGAMVTDVDRNGITVKDSDGTVRRIESACKVWSAGVSASRLGRDLAEQSRVELDRAGRVQVLPDLSIPGYPNVFVVGDMAAVEGVPGVAQGAIQGAKYVASTIKAELAGANPAEREPFQYFDKGSMATVSRFSAVAKIGPVEFSGFIAWLIWLVLHLAYLIGFKTKITTLLSWTVTFLSTRRGQLTITDQQAFARTRLEQLAELAAEAQGSAASAKVAS Type II NADH:quinone oxidoreductase Ndh NDH_MYCTU P95160 F2GI96 I6XZ55 Q7D7W7 51495318 CC(C)[C@H]1CO[C@]23CCN(Cc4ccc(nc4)C(F)(F)F)C[C@H]2CCC(=O)N13 InChI=1S/C20H26F3N3O2/c1-13(2)16-12-28-19-7-8-25(11-15(19)4-6-18(27)26(16)19)10-14-3-5-17(24-9-14)20(21,22)23/h3,5,9,13,15-16H,4,6-8,10-12H2,1-2H3/t15-,16-,19-/m1/s1 SSCSXGXGTCGKOK-GPMSIDNRSA-N 50602371 CHEMBL5202255 Type II NADH:quinone oxidoreductase Ndh 88 ChEMBL 10.7270/Q24F1VTT 36473699 Dam, S; Tangara, S; Hamela, C; Hattabi, T; Faïon, L; Carre, P; Antoine, R; Herledan, A; Leroux, F; Piveteau, C; Eveque, M; Flipo, M; Deprez, B; Kremer, L; Willand, N; Villemagne, B; Hartkoorn, RC CNRS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50602371 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001359&target=Type+II+NADH%3Aquinone+oxidoreductase+Ndh&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50602371&enzyme=Type+II+NADH%3Aquinone+oxidoreductase+Ndh&column=ki&startPg=0&Increment=50&submit=Search 168292664 482613222 1 MSPQQEPTAQPPRRHRVVIIGSGFGGLNAAKKLKRADVDIKLIARTTHHLFQPLLYQVATGIISEGEIAPPTRVVLRKQRNVQVLLGNVTHIDLAGQCVVSELLGHTYQTPYDSLIVAAGAGQSYFGNDHFAEFAPGMKSIDDALELRGRILSAFEQAERSSDPERRAKLLTFTVVGAGPTGVEMAGQIAELAEHTLKGAFRHIDSTKARVILLDAAPAVLPPMGAKLGQRAAARLQKLGVEIQLGAMVTDVDRNGITVKDSDGTVRRIESACKVWSAGVSASRLGRDLAEQSRVELDRAGRVQVLPDLSIPGYPNVFVVGDMAAVEGVPGVAQGAIQGAKYVASTIKAELAGANPAEREPFQYFDKGSMATVSRFSAVAKIGPVEFSGFIAWLIWLVLHLAYLIGFKTKITTLLSWTVTFLSTRRGQLTITDQQAFARTRLEQLAELAAEAQGSAASAKVAS Type II NADH:quinone oxidoreductase Ndh NDH_MYCTU P95160 F2GI96 I6XZ55 Q7D7W7