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
50205740	[O-][N+](=O)c1ccc(NCCNCC(=O)N2CCC[C@H]2C#N)nc1	InChI=1S/C14H18N6O3/c15-8-11-2-1-7-19(11)14(21)10-16-5-6-17-13-4-3-12(9-18-13)20(22)23/h3-4,9,11,16H,1-2,5-7,10H2,(H,17,18)/t11-/m0/s1	VEHQFHWMDLMEIN-NSHDSACASA-N	50113678	1-{2-[2-(5-Nitro-pyridin-2-ylamino)-ethylamino]-acetyl}-pyrrolidine-2-carbonitrile::CHEMBL77539	Dipeptidyl peptidase 4	Bos taurus		 12000							ChEMBL	10.1021/jm025522z	10.7270/Q2930SHP	12036346			Villhauer, EB; Brinkman, JA; Naderi, GB; Dunning, BE; Mangold, BL; Mone, MD; Russell, ME; Weldon, SC; Hughes, TE	TBA	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50113678	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001013&target=Dipeptidyl+peptidase+4&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50113678&enzyme=Dipeptidyl+peptidase+4&column=ki&startPg=0&Increment=50&submit=Search			10969177	104007938		CHEMBL77539				ZINC13473902	1	MKTPWKVLLGLLAIAALVTVITVPVVLLTKGNDASTDSRRTYTLADYLKNTFRMKFYNLRWVSDHEYLYKQENNILLFNAEYGNSSIFLENSTFDEFGHSINDYSVSPDRQYILFEYNYVKQWRHSYTASYDIYDLNKRQLITEERIPNNTQWITWSSVGHKLAYVWNNDIYVKNEPNSPSQRITWTGKKDVIYNGITDWVYEEEVFSAYSALWWSPNSTFLAYAQFNDTEVPLIEYSFYSDESLQYPKTVKIPYPKAGAVNPTIKFFVVNISSLSPNINATSQQIVPPGSVLIGDHYLCDVTWVTEERISLQWLRRIQNYSIMDICDYDRSTGRWISSVGRQHIEISTTGWVGRFRPAEPHFTSDGNSFYKIISNEEGYKHICHFQTDKRNCTFITKGAWEVIGIEALTSDYLYYISNEYKGMPGARNLYKIQLNDYTKVTCLSCELNPDRCQYYSVSFSQEAKYYQLRCSGPGLPLYTLHNSNNDKELRVLENNSDLDQVLQDVQMPSKKLDFIHLHGTKFWYQMILPPHFDKSKKYPLLLEVYAGPCSQKADAIFRLNWATYLASTENIIVASFDGRGSGYQGDKIMHAINRRLGTFEVEDQIEATRQFSKMGFVDDKRIAIWGWSYGGYVTSMVLGAGSGVFKCGIAVAPVSKWEYYDSVYTERYMGLPTPEDNLDSYRNSTVMSRAENFKQVEYLLIHGTADDNVHFQQSAQISKALVDAGVDFQSMWYTDEDHGIASSTAHQHIYTHMSHFLKQCFSLL		Dipeptidyl peptidase 4	DPP4_BOVIN	P81425	Q3ZCC2 Q8WMG8						
50205742	N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C#N	InChI=1S/C13H21N3O/c14-9-11-7-4-8-16(11)13(17)12(15)10-5-2-1-3-6-10/h10-12H,1-8,15H2/t11-,12-/m0/s1	SXNUNNAPZNTPQV-RYUDHWBXSA-N	11694	(2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidine-2-carbonitrile::BMCL15687 Compound 3::CHEMBL307636::Cyclohexylglycine-(2S)-cyanopyrolidine 3::Cyclohexylglycine-(2S)-cyanopyrrolidine 2	Dipeptidyl peptidase 4	Bos taurus		 102000							ChEMBL	10.1021/jm025522z	10.7270/Q2930SHP	12036346			Villhauer, EB; Brinkman, JA; Naderi, GB; Dunning, BE; Mangold, BL; Mone, MD; Russell, ME; Weldon, SC; Hughes, TE	TBA	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=11694	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001013&target=Dipeptidyl+peptidase+4&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=11694&enzyme=Dipeptidyl+peptidase+4&column=ki&startPg=0&Increment=50&submit=Search			11075394	46512216		CHEMBL307636				ZINC13473901	1	MKTPWKVLLGLLAIAALVTVITVPVVLLTKGNDASTDSRRTYTLADYLKNTFRMKFYNLRWVSDHEYLYKQENNILLFNAEYGNSSIFLENSTFDEFGHSINDYSVSPDRQYILFEYNYVKQWRHSYTASYDIYDLNKRQLITEERIPNNTQWITWSSVGHKLAYVWNNDIYVKNEPNSPSQRITWTGKKDVIYNGITDWVYEEEVFSAYSALWWSPNSTFLAYAQFNDTEVPLIEYSFYSDESLQYPKTVKIPYPKAGAVNPTIKFFVVNISSLSPNINATSQQIVPPGSVLIGDHYLCDVTWVTEERISLQWLRRIQNYSIMDICDYDRSTGRWISSVGRQHIEISTTGWVGRFRPAEPHFTSDGNSFYKIISNEEGYKHICHFQTDKRNCTFITKGAWEVIGIEALTSDYLYYISNEYKGMPGARNLYKIQLNDYTKVTCLSCELNPDRCQYYSVSFSQEAKYYQLRCSGPGLPLYTLHNSNNDKELRVLENNSDLDQVLQDVQMPSKKLDFIHLHGTKFWYQMILPPHFDKSKKYPLLLEVYAGPCSQKADAIFRLNWATYLASTENIIVASFDGRGSGYQGDKIMHAINRRLGTFEVEDQIEATRQFSKMGFVDDKRIAIWGWSYGGYVTSMVLGAGSGVFKCGIAVAPVSKWEYYDSVYTERYMGLPTPEDNLDSYRNSTVMSRAENFKQVEYLLIHGTADDNVHFQQSAQISKALVDAGVDFQSMWYTDEDHGIASSTAHQHIYTHMSHFLKQCFSLL		Dipeptidyl peptidase 4	DPP4_BOVIN	P81425	Q3ZCC2 Q8WMG8						
50205743	O=C(CNCCNc1ccc(cn1)C#N)N1CCC[C@H]1C#N	InChI=1S/C15H18N6O/c16-8-12-3-4-14(20-10-12)19-6-5-18-11-15(22)21-7-1-2-13(21)9-17/h3-4,10,13,18H,1-2,5-7,11H2,(H,19,20)/t13-/m0/s1	VFFZWMWTUSXDCB-ZDUSSCGKSA-N	11113	6-{[2-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl}amino)ethyl]amino}pyridine-3-carbonitrile::BMCL15687 Compound 2::CHEMBL77538::NVP-DPP728::cyano-(S)-pyrrolidine deriv. 1::cyanopyrrolidine derivative 2	Dipeptidyl peptidase 4	Bos taurus		 110000							ChEMBL	10.1021/jm025522z	10.7270/Q2930SHP	12036346			Villhauer, EB; Brinkman, JA; Naderi, GB; Dunning, BE; Mangold, BL; Mone, MD; Russell, ME; Weldon, SC; Hughes, TE	TBA	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=11113	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001013&target=Dipeptidyl+peptidase+4&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=11113&enzyme=Dipeptidyl+peptidase+4&column=ki&startPg=0&Increment=50&submit=Search			9796290	46509353		CHEMBL77538				ZINC26396245	1	MKTPWKVLLGLLAIAALVTVITVPVVLLTKGNDASTDSRRTYTLADYLKNTFRMKFYNLRWVSDHEYLYKQENNILLFNAEYGNSSIFLENSTFDEFGHSINDYSVSPDRQYILFEYNYVKQWRHSYTASYDIYDLNKRQLITEERIPNNTQWITWSSVGHKLAYVWNNDIYVKNEPNSPSQRITWTGKKDVIYNGITDWVYEEEVFSAYSALWWSPNSTFLAYAQFNDTEVPLIEYSFYSDESLQYPKTVKIPYPKAGAVNPTIKFFVVNISSLSPNINATSQQIVPPGSVLIGDHYLCDVTWVTEERISLQWLRRIQNYSIMDICDYDRSTGRWISSVGRQHIEISTTGWVGRFRPAEPHFTSDGNSFYKIISNEEGYKHICHFQTDKRNCTFITKGAWEVIGIEALTSDYLYYISNEYKGMPGARNLYKIQLNDYTKVTCLSCELNPDRCQYYSVSFSQEAKYYQLRCSGPGLPLYTLHNSNNDKELRVLENNSDLDQVLQDVQMPSKKLDFIHLHGTKFWYQMILPPHFDKSKKYPLLLEVYAGPCSQKADAIFRLNWATYLASTENIIVASFDGRGSGYQGDKIMHAINRRLGTFEVEDQIEATRQFSKMGFVDDKRIAIWGWSYGGYVTSMVLGAGSGVFKCGIAVAPVSKWEYYDSVYTERYMGLPTPEDNLDSYRNSTVMSRAENFKQVEYLLIHGTADDNVHFQQSAQISKALVDAGVDFQSMWYTDEDHGIASSTAHQHIYTHMSHFLKQCFSLL		Dipeptidyl peptidase 4	DPP4_BOVIN	P81425	Q3ZCC2 Q8WMG8						
50953958	CC(C)=CCn1c(nc2n(C)c(=O)[nH]c(=O)c12)N1CCNCC1	InChI=1S/C15H22N6O2/c1-10(2)4-7-21-11-12(19(3)15(23)18-13(11)22)17-14(21)20-8-5-16-6-9-20/h4,16H,5-9H2,1-3H3,(H,18,22,23)	PMTZAIAYDGLNMJ-UHFFFAOYSA-N	50391474	CHEMBL2147197	Dipeptidyl peptidase 4	Bos taurus		 676							ChEMBL	10.1016/j.bmc.2012.07.046	10.7270/Q2FX7BJX	22938786			Ikuma, Y; Hochigai, H; Kimura, H; Nunami, N; Kobayashi, T; Uchiyama, K; Furuta, Y; Sakai, M; Horiguchi, M; Masui, Y; Okazaki, K; Sato, Y; Nakahira, H	Dainippon Sumitomo Pharma Co., Ltd	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50391474	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001013&target=Dipeptidyl+peptidase+4&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50391474&enzyme=Dipeptidyl+peptidase+4&column=ki&startPg=0&Increment=50&submit=Search			22029877	163340498		CHEMBL2147197				ZINC95559231	1	MKTPWKVLLGLLAIAALVTVITVPVVLLTKGNDASTDSRRTYTLADYLKNTFRMKFYNLRWVSDHEYLYKQENNILLFNAEYGNSSIFLENSTFDEFGHSINDYSVSPDRQYILFEYNYVKQWRHSYTASYDIYDLNKRQLITEERIPNNTQWITWSSVGHKLAYVWNNDIYVKNEPNSPSQRITWTGKKDVIYNGITDWVYEEEVFSAYSALWWSPNSTFLAYAQFNDTEVPLIEYSFYSDESLQYPKTVKIPYPKAGAVNPTIKFFVVNISSLSPNINATSQQIVPPGSVLIGDHYLCDVTWVTEERISLQWLRRIQNYSIMDICDYDRSTGRWISSVGRQHIEISTTGWVGRFRPAEPHFTSDGNSFYKIISNEEGYKHICHFQTDKRNCTFITKGAWEVIGIEALTSDYLYYISNEYKGMPGARNLYKIQLNDYTKVTCLSCELNPDRCQYYSVSFSQEAKYYQLRCSGPGLPLYTLHNSNNDKELRVLENNSDLDQVLQDVQMPSKKLDFIHLHGTKFWYQMILPPHFDKSKKYPLLLEVYAGPCSQKADAIFRLNWATYLASTENIIVASFDGRGSGYQGDKIMHAINRRLGTFEVEDQIEATRQFSKMGFVDDKRIAIWGWSYGGYVTSMVLGAGSGVFKCGIAVAPVSKWEYYDSVYTERYMGLPTPEDNLDSYRNSTVMSRAENFKQVEYLLIHGTADDNVHFQQSAQISKALVDAGVDFQSMWYTDEDHGIASSTAHQHIYTHMSHFLKQCFSLL		Dipeptidyl peptidase 4	DPP4_BOVIN	P81425	Q3ZCC2 Q8WMG8						
50953964	N[C@@H]1CCCN(C1)c1nc2c(n1Cc1ccccc1Cl)c(=O)[nH]c1ccccc21	InChI=1S/C22H22ClN5O/c23-17-9-3-1-6-14(17)12-28-20-19(16-8-2-4-10-18(16)25-21(20)29)26-22(28)27-11-5-7-15(24)13-27/h1-4,6,8-10,15H,5,7,11-13,24H2,(H,25,29)/t15-/m1/s1	KHBQJLSKDKJNEA-OAHLLOKOSA-N	50391467	CHEMBL2147057	Dipeptidyl peptidase 4	Bos taurus		 112							ChEMBL	10.1016/j.bmc.2012.07.046	10.7270/Q2FX7BJX	22938786			Ikuma, Y; Hochigai, H; Kimura, H; Nunami, N; Kobayashi, T; Uchiyama, K; Furuta, Y; Sakai, M; Horiguchi, M; Masui, Y; Okazaki, K; Sato, Y; Nakahira, H	Dainippon Sumitomo Pharma Co., Ltd	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50391467	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001013&target=Dipeptidyl+peptidase+4&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50391467&enzyme=Dipeptidyl+peptidase+4&column=ki&startPg=0&Increment=50&submit=Search			58874405	163340491		CHEMBL2147057				ZINC95562465	1	MKTPWKVLLGLLAIAALVTVITVPVVLLTKGNDASTDSRRTYTLADYLKNTFRMKFYNLRWVSDHEYLYKQENNILLFNAEYGNSSIFLENSTFDEFGHSINDYSVSPDRQYILFEYNYVKQWRHSYTASYDIYDLNKRQLITEERIPNNTQWITWSSVGHKLAYVWNNDIYVKNEPNSPSQRITWTGKKDVIYNGITDWVYEEEVFSAYSALWWSPNSTFLAYAQFNDTEVPLIEYSFYSDESLQYPKTVKIPYPKAGAVNPTIKFFVVNISSLSPNINATSQQIVPPGSVLIGDHYLCDVTWVTEERISLQWLRRIQNYSIMDICDYDRSTGRWISSVGRQHIEISTTGWVGRFRPAEPHFTSDGNSFYKIISNEEGYKHICHFQTDKRNCTFITKGAWEVIGIEALTSDYLYYISNEYKGMPGARNLYKIQLNDYTKVTCLSCELNPDRCQYYSVSFSQEAKYYQLRCSGPGLPLYTLHNSNNDKELRVLENNSDLDQVLQDVQMPSKKLDFIHLHGTKFWYQMILPPHFDKSKKYPLLLEVYAGPCSQKADAIFRLNWATYLASTENIIVASFDGRGSGYQGDKIMHAINRRLGTFEVEDQIEATRQFSKMGFVDDKRIAIWGWSYGGYVTSMVLGAGSGVFKCGIAVAPVSKWEYYDSVYTERYMGLPTPEDNLDSYRNSTVMSRAENFKQVEYLLIHGTADDNVHFQQSAQISKALVDAGVDFQSMWYTDEDHGIASSTAHQHIYTHMSHFLKQCFSLL		Dipeptidyl peptidase 4	DPP4_BOVIN	P81425	Q3ZCC2 Q8WMG8