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	PubChem SID	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	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
51181884	OC(=O)COc1ccc(Cl)cc1Cl	InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)	OVSKIKFHRZPJSS-UHFFFAOYSA-N	50486213	(2,4-Dichlorophenoxy)Acetic Acid::2,4-Dichlorophenoxyacetic Acid::2,4-Dichlorophenyloxyacetic Acid::2-(2,4-Dichlorophenoxy)Acetic Acid::CHEBI:28854	Pyruvate dehydrogenase E1 component subunit alpha,/beta, mitochondrial			>4530000							ChEMBL	10.1021/jf104247w	10.7270/Q2V69NFJ	21452831			He, HW; Yuan, JL; Peng, H; Chen, T; Shen, P; Wan, SQ; Li, Y; Tan, HL; He, YH; He, JB; Li, Y	Central China Normal University	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50486213	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=50001009&target=Pyruvate+dehydrogenase+E1+component+subunit+alpha%2C%2Fbeta%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50486213&enzyme=Pyruvate+dehydrogenase+E1+component+subunit+alpha%2C%2Fbeta%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search	CFA		1486	433953478					C03664		2	MALSRLSSSSSSSNGSNLFNPFSAAFTLNRPISSDTTATLTIETSLPFTAHNCDPPSRSVTTSPSELLSFFRTMALMRRMEIAADSLYKANLIRGFCHLYDGQEAVAVGMEAGTTKKDCIITAYRDHCTFLGRGGTLLRVYAELMGRRDGCSKGKGGSMHFYKKDSGFYGGHGIVGAQVPLGCGLAFGQKYLKDESVTFALYGDGAANQGQLFEALNISALWDLPAILVCENNHYGMGTATWRSAKSPAYFKRGDYVPGLKVDGMDALAVKQACKFAKEHALKNGPIILEMDTYRYHGHSMSDPGSTYRTRDEISGVRQERDPIERVRKLLLSHDIATEKELKDTEKEVRKEVDEAIAKAKDSPMPDPSDLFSNVYVKGYGVEAFGVDRKEVRVTLP		Pyruvate dehydrogenase E1 component subunit alpha, mitochondrial	ODPA_PEA	P52902								MLGVIRNKTIRPSFSAFRFFSSAKQMTVRDALNSALDVEMSADSKVFLMGEEVGEYQGAYKVTKGLLEKYGPERVLDTPITEAGFTGIGVGAAYYGLKPVVEFMTFNFSMQAIDHIINSAAKSNYMSAGQISVPIVFRGLNGDAAGVGAQHSHCYASWYGSCPGLKVLVPHSAEDARGLLKAAIRDPDPVVFLENELLYGESFPVSAEVLDSSFWLPIGKAKIEREGKDVTITAFSKMVGFALKAAEILEKEGISAEVINLRSIRPLDRPTINASVRKTNRLVTVEEGFPQHGVGAEICTSVIEESFGYLDATVERIGGADVPMPYAGNLERLVVPHVEDIVRAAKRACHRSVPLAAAA		Pyruvate dehydrogenase E1 component subunit beta, mitochondrial	ODPB_PEA	P52904							
51181885	CCOP(=O)(OCC)C(C)OC(=O)COc1ccc(Cl)cc1Cl	InChI=1S/C14H19Cl2O6P/c1-4-20-23(18,21-5-2)10(3)22-14(17)9-19-13-7-6-11(15)8-12(13)16/h6-8,10H,4-5,9H2,1-3H3	UVGGEXWYVOUAEV-UHFFFAOYSA-N	50486214	CHEMBL2227973	Pyruvate dehydrogenase E1 component subunit alpha,/beta, mitochondrial			 23120							ChEMBL	10.1021/jf104247w	10.7270/Q2V69NFJ	21452831			He, HW; Yuan, JL; Peng, H; Chen, T; Shen, P; Wan, SQ; Li, Y; Tan, HL; He, YH; He, JB; Li, Y	Central China Normal University	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50486214	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=50001009&target=Pyruvate+dehydrogenase+E1+component+subunit+alpha%2C%2Fbeta%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50486214&enzyme=Pyruvate+dehydrogenase+E1+component+subunit+alpha%2C%2Fbeta%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search			14926512	433953479							2	MALSRLSSSSSSSNGSNLFNPFSAAFTLNRPISSDTTATLTIETSLPFTAHNCDPPSRSVTTSPSELLSFFRTMALMRRMEIAADSLYKANLIRGFCHLYDGQEAVAVGMEAGTTKKDCIITAYRDHCTFLGRGGTLLRVYAELMGRRDGCSKGKGGSMHFYKKDSGFYGGHGIVGAQVPLGCGLAFGQKYLKDESVTFALYGDGAANQGQLFEALNISALWDLPAILVCENNHYGMGTATWRSAKSPAYFKRGDYVPGLKVDGMDALAVKQACKFAKEHALKNGPIILEMDTYRYHGHSMSDPGSTYRTRDEISGVRQERDPIERVRKLLLSHDIATEKELKDTEKEVRKEVDEAIAKAKDSPMPDPSDLFSNVYVKGYGVEAFGVDRKEVRVTLP		Pyruvate dehydrogenase E1 component subunit alpha, mitochondrial	ODPA_PEA	P52902								MLGVIRNKTIRPSFSAFRFFSSAKQMTVRDALNSALDVEMSADSKVFLMGEEVGEYQGAYKVTKGLLEKYGPERVLDTPITEAGFTGIGVGAAYYGLKPVVEFMTFNFSMQAIDHIINSAAKSNYMSAGQISVPIVFRGLNGDAAGVGAQHSHCYASWYGSCPGLKVLVPHSAEDARGLLKAAIRDPDPVVFLENELLYGESFPVSAEVLDSSFWLPIGKAKIEREGKDVTITAFSKMVGFALKAAEILEKEGISAEVINLRSIRPLDRPTINASVRKTNRLVTVEEGFPQHGVGAEICTSVIEESFGYLDATVERIGGADVPMPYAGNLERLVVPHVEDIVRAAKRACHRSVPLAAAA		Pyruvate dehydrogenase E1 component subunit beta, mitochondrial	ODPB_PEA	P52904							
51181886	COP(=O)(OC)C(OC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1	InChI=1S/C17H17Cl2O6P/c1-22-26(21,23-2)17(12-6-4-3-5-7-12)25-16(20)11-24-15-9-8-13(18)10-14(15)19/h3-10,17H,11H2,1-2H3	WQIOJXADIUGZPC-UHFFFAOYSA-N	50486215	CHEMBL2227682	Pyruvate dehydrogenase E1 component subunit alpha,/beta, mitochondrial			 95380							ChEMBL	10.1021/jf104247w	10.7270/Q2V69NFJ	21452831			He, HW; Yuan, JL; Peng, H; Chen, T; Shen, P; Wan, SQ; Li, Y; Tan, HL; He, YH; He, JB; Li, Y	Central China Normal University	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50486215	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=50001009&target=Pyruvate+dehydrogenase+E1+component+subunit+alpha%2C%2Fbeta%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50486215&enzyme=Pyruvate+dehydrogenase+E1+component+subunit+alpha%2C%2Fbeta%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search			12099425	433953480							2	MALSRLSSSSSSSNGSNLFNPFSAAFTLNRPISSDTTATLTIETSLPFTAHNCDPPSRSVTTSPSELLSFFRTMALMRRMEIAADSLYKANLIRGFCHLYDGQEAVAVGMEAGTTKKDCIITAYRDHCTFLGRGGTLLRVYAELMGRRDGCSKGKGGSMHFYKKDSGFYGGHGIVGAQVPLGCGLAFGQKYLKDESVTFALYGDGAANQGQLFEALNISALWDLPAILVCENNHYGMGTATWRSAKSPAYFKRGDYVPGLKVDGMDALAVKQACKFAKEHALKNGPIILEMDTYRYHGHSMSDPGSTYRTRDEISGVRQERDPIERVRKLLLSHDIATEKELKDTEKEVRKEVDEAIAKAKDSPMPDPSDLFSNVYVKGYGVEAFGVDRKEVRVTLP		Pyruvate dehydrogenase E1 component subunit alpha, mitochondrial	ODPA_PEA	P52902								MLGVIRNKTIRPSFSAFRFFSSAKQMTVRDALNSALDVEMSADSKVFLMGEEVGEYQGAYKVTKGLLEKYGPERVLDTPITEAGFTGIGVGAAYYGLKPVVEFMTFNFSMQAIDHIINSAAKSNYMSAGQISVPIVFRGLNGDAAGVGAQHSHCYASWYGSCPGLKVLVPHSAEDARGLLKAAIRDPDPVVFLENELLYGESFPVSAEVLDSSFWLPIGKAKIEREGKDVTITAFSKMVGFALKAAEILEKEGISAEVINLRSIRPLDRPTINASVRKTNRLVTVEEGFPQHGVGAEICTSVIEESFGYLDATVERIGGADVPMPYAGNLERLVVPHVEDIVRAAKRACHRSVPLAAAA		Pyruvate dehydrogenase E1 component subunit beta, mitochondrial	ODPB_PEA	P52904							
51181888	COP(=O)(OC)C(C)OC(=O)COc1ccc(Cl)cc1Cl	InChI=1S/C12H15Cl2O6P/c1-8(21(16,17-2)18-3)20-12(15)7-19-11-5-4-9(13)6-10(11)14/h4-6,8H,7H2,1-3H3	UUHXXNQVWVFJLW-UHFFFAOYSA-N	50486217	CLACYFOS	Pyruvate dehydrogenase E1 component subunit alpha,/beta, mitochondrial			 12750							ChEMBL	10.1021/jf104247w	10.7270/Q2V69NFJ	21452831			He, HW; Yuan, JL; Peng, H; Chen, T; Shen, P; Wan, SQ; Li, Y; Tan, HL; He, YH; He, JB; Li, Y	Central China Normal University	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50486217	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=50001009&target=Pyruvate+dehydrogenase+E1+component+subunit+alpha%2C%2Fbeta%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50486217&enzyme=Pyruvate+dehydrogenase+E1+component+subunit+alpha%2C%2Fbeta%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search			53242358	433953482							2	MALSRLSSSSSSSNGSNLFNPFSAAFTLNRPISSDTTATLTIETSLPFTAHNCDPPSRSVTTSPSELLSFFRTMALMRRMEIAADSLYKANLIRGFCHLYDGQEAVAVGMEAGTTKKDCIITAYRDHCTFLGRGGTLLRVYAELMGRRDGCSKGKGGSMHFYKKDSGFYGGHGIVGAQVPLGCGLAFGQKYLKDESVTFALYGDGAANQGQLFEALNISALWDLPAILVCENNHYGMGTATWRSAKSPAYFKRGDYVPGLKVDGMDALAVKQACKFAKEHALKNGPIILEMDTYRYHGHSMSDPGSTYRTRDEISGVRQERDPIERVRKLLLSHDIATEKELKDTEKEVRKEVDEAIAKAKDSPMPDPSDLFSNVYVKGYGVEAFGVDRKEVRVTLP		Pyruvate dehydrogenase E1 component subunit alpha, mitochondrial	ODPA_PEA	P52902								MLGVIRNKTIRPSFSAFRFFSSAKQMTVRDALNSALDVEMSADSKVFLMGEEVGEYQGAYKVTKGLLEKYGPERVLDTPITEAGFTGIGVGAAYYGLKPVVEFMTFNFSMQAIDHIINSAAKSNYMSAGQISVPIVFRGLNGDAAGVGAQHSHCYASWYGSCPGLKVLVPHSAEDARGLLKAAIRDPDPVVFLENELLYGESFPVSAEVLDSSFWLPIGKAKIEREGKDVTITAFSKMVGFALKAAEILEKEGISAEVINLRSIRPLDRPTINASVRKTNRLVTVEEGFPQHGVGAEICTSVIEESFGYLDATVERIGGADVPMPYAGNLERLVVPHVEDIVRAAKRACHRSVPLAAAA		Pyruvate dehydrogenase E1 component subunit beta, mitochondrial	ODPB_PEA	P52904							
51181889	COP(=O)(COC(=O)COc1ccc(Cl)cc1Cl)OC	InChI=1S/C11H13Cl2O6P/c1-16-20(15,17-2)7-19-11(14)6-18-10-4-3-8(12)5-9(10)13/h3-5H,6-7H2,1-2H3	JNUOWSZMTFVJKH-UHFFFAOYSA-N	50486218	CHEMBL2227928	Pyruvate dehydrogenase E1 component subunit alpha,/beta, mitochondrial			 19700							ChEMBL	10.1021/jf104247w	10.7270/Q2V69NFJ	21452831			He, HW; Yuan, JL; Peng, H; Chen, T; Shen, P; Wan, SQ; Li, Y; Tan, HL; He, YH; He, JB; Li, Y	Central China Normal University	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50486218	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=50001009&target=Pyruvate+dehydrogenase+E1+component+subunit+alpha%2C%2Fbeta%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50486218&enzyme=Pyruvate+dehydrogenase+E1+component+subunit+alpha%2C%2Fbeta%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search			76322323	433953483							2	MALSRLSSSSSSSNGSNLFNPFSAAFTLNRPISSDTTATLTIETSLPFTAHNCDPPSRSVTTSPSELLSFFRTMALMRRMEIAADSLYKANLIRGFCHLYDGQEAVAVGMEAGTTKKDCIITAYRDHCTFLGRGGTLLRVYAELMGRRDGCSKGKGGSMHFYKKDSGFYGGHGIVGAQVPLGCGLAFGQKYLKDESVTFALYGDGAANQGQLFEALNISALWDLPAILVCENNHYGMGTATWRSAKSPAYFKRGDYVPGLKVDGMDALAVKQACKFAKEHALKNGPIILEMDTYRYHGHSMSDPGSTYRTRDEISGVRQERDPIERVRKLLLSHDIATEKELKDTEKEVRKEVDEAIAKAKDSPMPDPSDLFSNVYVKGYGVEAFGVDRKEVRVTLP		Pyruvate dehydrogenase E1 component subunit alpha, mitochondrial	ODPA_PEA	P52902								MLGVIRNKTIRPSFSAFRFFSSAKQMTVRDALNSALDVEMSADSKVFLMGEEVGEYQGAYKVTKGLLEKYGPERVLDTPITEAGFTGIGVGAAYYGLKPVVEFMTFNFSMQAIDHIINSAAKSNYMSAGQISVPIVFRGLNGDAAGVGAQHSHCYASWYGSCPGLKVLVPHSAEDARGLLKAAIRDPDPVVFLENELLYGESFPVSAEVLDSSFWLPIGKAKIEREGKDVTITAFSKMVGFALKAAEILEKEGISAEVINLRSIRPLDRPTINASVRKTNRLVTVEEGFPQHGVGAEICTSVIEESFGYLDATVERIGGADVPMPYAGNLERLVVPHVEDIVRAAKRACHRSVPLAAAA		Pyruvate dehydrogenase E1 component subunit beta, mitochondrial	ODPB_PEA	P52904