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
51366830	CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12	InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1	FVWJYYTZTCVBKE-ROUWMTJPSA-N	23207	(1R,2R,5S,8R,9R,10R,13R,14R,17S,19R)-5-(hydroxymethyl)-1,2,14,18,18-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicosan-17-ol::Betulin, 23::Betulinol::US11660306, Example Betulin	Ectonucleoside triphosphate diphosphohydrolase 1			 49760							ChEMBL	10.1016/j.bmcl.2020.127758	10.7270/Q2GM8BZW	33359608			Wang, Y; Wang, C; Zhu, Y; Zhang, Y; Chen, B; Wu, Y; Yao, J; Miao, Z	Ningxia Medical University	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=23207	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000889&target=Ectonucleoside+triphosphate+diphosphohydrolase+1&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=23207&enzyme=Ectonucleoside+triphosphate+diphosphohydrolase+1&column=ki&startPg=0&Increment=50&submit=Search			72326	49847020	3086				C08618	ZINC03978650	1	MEDIKDSKVKRFCSKNILIILGFTSILAVIALIAVGLTQNKPLPENVKYGIVLDAGSSHTNLYIYKWPAEKENDTGVVQQLEECQVKGPGISKYAQKTDEIGAYLAECMELSTELIPTSKHHQTPVYLGATAGMRLLRMESEQSADEVLAAVSTSLKSYPFDFQGAKIITGQEEGAYGWITINYLLGRFTQEQSWLSLISDSQKQETFGALDLGGASTQITFVPQNSTIESPENSLQFRLYGEDYTVYTHSFLCYGKDQALWQKLAKDIQVSSGGVLKDPCFNPGYEKVVNVSELYGTPCTKRFEKKLPFDQFRIQGTGDYEQCHQSILELFNNSHCPYSQCAFNGVFLPPLHGSFGAFSAFYFVMDFFKKVAKNSVISQEKMTEITKNFCSKSWEETKTSYPSVKEKYLSEYCFSGAYILSLLQGYNFTDSSWEQIHFMGKIKDSNAGWTLGYMLNLTNMIPAEQPLSPPLPHSTYIGLMVLFSLLLVAVAITGLFIYSKPSYFWKEAV		Ectonucleoside triphosphate diphosphohydrolase 1	ENTP1_MOUSE	P55772							
51366831	Oc1cc(cc(O)c1O)C(=O)OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1	InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33-,34+,35-,41+/m1/s1	QJYNZEYHSMRWBK-NIKIMHBISA-N	50241052	1,2,3,4,6-Pgg::1,2,3,4,6-pentakis-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose::1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose::CHEMBL382408::acs.jmedchem.1c00409_ST.650::beta-D-glucopyranose pentakis(3,4,5-trihydroxybenzoate)	Ectonucleoside triphosphate diphosphohydrolase 1			 1560							ChEMBL	10.1016/j.bmcl.2020.127758	10.7270/Q2GM8BZW	33359608			Wang, Y; Wang, C; Zhu, Y; Zhang, Y; Chen, B; Wu, Y; Yao, J; Miao, Z	Ningxia Medical University	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50241052	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000889&target=Ectonucleoside+triphosphate+diphosphohydrolase+1&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50241052&enzyme=Ectonucleoside+triphosphate+diphosphohydrolase+1&column=ki&startPg=0&Increment=50&submit=Search			65238	104098581	18082	CHEMBL382408			C04576		1	MEDIKDSKVKRFCSKNILIILGFTSILAVIALIAVGLTQNKPLPENVKYGIVLDAGSSHTNLYIYKWPAEKENDTGVVQQLEECQVKGPGISKYAQKTDEIGAYLAECMELSTELIPTSKHHQTPVYLGATAGMRLLRMESEQSADEVLAAVSTSLKSYPFDFQGAKIITGQEEGAYGWITINYLLGRFTQEQSWLSLISDSQKQETFGALDLGGASTQITFVPQNSTIESPENSLQFRLYGEDYTVYTHSFLCYGKDQALWQKLAKDIQVSSGGVLKDPCFNPGYEKVVNVSELYGTPCTKRFEKKLPFDQFRIQGTGDYEQCHQSILELFNNSHCPYSQCAFNGVFLPPLHGSFGAFSAFYFVMDFFKKVAKNSVISQEKMTEITKNFCSKSWEETKTSYPSVKEKYLSEYCFSGAYILSLLQGYNFTDSSWEQIHFMGKIKDSNAGWTLGYMLNLTNMIPAEQPLSPPLPHSTYIGLMVLFSLLLVAVAITGLFIYSKPSYFWKEAV		Ectonucleoside triphosphate diphosphohydrolase 1	ENTP1_MOUSE	P55772							
51366832	Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O	InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H	AFSDNFLWKVMVRB-UHFFFAOYSA-N	4078	6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-3,10-dione::CHEMBL6246::ELLAGIC ACID::Elagic Acid::Ellagic acid (18)::Ellagic acid dihydrate::MLS000069632::SMR000058244::cid_5281855	Ectonucleoside triphosphate diphosphohydrolase 1			 500							ChEMBL	10.1016/j.bmcl.2020.127758	10.7270/Q2GM8BZW	33359608			Wang, Y; Wang, C; Zhu, Y; Zhang, Y; Chen, B; Wu, Y; Yao, J; Miao, Z	Ningxia Medical University	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4078	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000889&target=Ectonucleoside+triphosphate+diphosphohydrolase+1&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=4078&enzyme=Ectonucleoside+triphosphate+diphosphohydrolase+1&column=ki&startPg=0&Increment=50&submit=Search	REF	4YUA,2ZJW,6RWD	5281855	8033769	4775	CHEMBL6246	DB08468		C10788	ZINC03872446	1	MEDIKDSKVKRFCSKNILIILGFTSILAVIALIAVGLTQNKPLPENVKYGIVLDAGSSHTNLYIYKWPAEKENDTGVVQQLEECQVKGPGISKYAQKTDEIGAYLAECMELSTELIPTSKHHQTPVYLGATAGMRLLRMESEQSADEVLAAVSTSLKSYPFDFQGAKIITGQEEGAYGWITINYLLGRFTQEQSWLSLISDSQKQETFGALDLGGASTQITFVPQNSTIESPENSLQFRLYGEDYTVYTHSFLCYGKDQALWQKLAKDIQVSSGGVLKDPCFNPGYEKVVNVSELYGTPCTKRFEKKLPFDQFRIQGTGDYEQCHQSILELFNNSHCPYSQCAFNGVFLPPLHGSFGAFSAFYFVMDFFKKVAKNSVISQEKMTEITKNFCSKSWEETKTSYPSVKEKYLSEYCFSGAYILSLLQGYNFTDSSWEQIHFMGKIKDSNAGWTLGYMLNLTNMIPAEQPLSPPLPHSTYIGLMVLFSLLLVAVAITGLFIYSKPSYFWKEAV		Ectonucleoside triphosphate diphosphohydrolase 1	ENTP1_MOUSE	P55772							
51366833	Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O	InChI=1S/C11H17N5O9P2/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(25-11)1-24-27(22,23)4-26(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1	OLCWZBFDIYXLAA-IOSLPCCCSA-N	18136	ADP, alpha beta-me::AMPCPP::[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)methyl]phosphonic acid::alpha, beta-methyleneadenosine 5 -diphosphate::cid_92199	Ectonucleoside triphosphate diphosphohydrolase 1			>100000							ChEMBL	10.1016/j.bmcl.2020.127758	10.7270/Q2GM8BZW	33359608			Wang, Y; Wang, C; Zhu, Y; Zhang, Y; Chen, B; Wu, Y; Yao, J; Miao, Z	Ningxia Medical University	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=18136	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000889&target=Ectonucleoside+triphosphate+diphosphohydrolase+1&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=18136&enzyme=Ectonucleoside+triphosphate+diphosphohydrolase+1&column=ki&startPg=0&Increment=50&submit=Search		1AV5,1DKU,2VQD,5FIT	92199	46518245	40730			5092		ZINC13527614	1	MEDIKDSKVKRFCSKNILIILGFTSILAVIALIAVGLTQNKPLPENVKYGIVLDAGSSHTNLYIYKWPAEKENDTGVVQQLEECQVKGPGISKYAQKTDEIGAYLAECMELSTELIPTSKHHQTPVYLGATAGMRLLRMESEQSADEVLAAVSTSLKSYPFDFQGAKIITGQEEGAYGWITINYLLGRFTQEQSWLSLISDSQKQETFGALDLGGASTQITFVPQNSTIESPENSLQFRLYGEDYTVYTHSFLCYGKDQALWQKLAKDIQVSSGGVLKDPCFNPGYEKVVNVSELYGTPCTKRFEKKLPFDQFRIQGTGDYEQCHQSILELFNNSHCPYSQCAFNGVFLPPLHGSFGAFSAFYFVMDFFKKVAKNSVISQEKMTEITKNFCSKSWEETKTSYPSVKEKYLSEYCFSGAYILSLLQGYNFTDSSWEQIHFMGKIKDSNAGWTLGYMLNLTNMIPAEQPLSPPLPHSTYIGLMVLFSLLLVAVAITGLFIYSKPSYFWKEAV		Ectonucleoside triphosphate diphosphohydrolase 1	ENTP1_MOUSE	P55772							
51365932	CC1=CCC(=C\C1=N\C(=O)C1=CC=C\C(C1)=N/C(=O)/N=C1/CC(=CC=C1)C(=O)\N=C1\CC(=CC=C1C)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O	InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-11,15-16,20-24H,12-14,17-19H2,1-2H3,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)/b52-31+,53-32+,54-37+,55-38+,56-39-,57-40-	VTCUUTNDNRAQSK-NCNWUEASSA-N	50179360	CHEMBL3040216	Ectonucleoside triphosphate diphosphohydrolase 1			>100000							ChEMBL	10.1021/acs.jmedchem.0c01044	10.7270/Q2B27ZZ6	32786396			Jeffrey, JL; Lawson, KV; Powers, JP	Arcus Biosciences	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50179360	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000889&target=Ectonucleoside+triphosphate+diphosphohydrolase+1&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50179360&enzyme=Ectonucleoside+triphosphate+diphosphohydrolase+1&column=ki&startPg=0&Increment=50&submit=Search			73355036	346549535		CHEMBL3040216					1	MEDIKDSKVKRFCSKNILIILGFTSILAVIALIAVGLTQNKPLPENVKYGIVLDAGSSHTNLYIYKWPAEKENDTGVVQQLEECQVKGPGISKYAQKTDEIGAYLAECMELSTELIPTSKHHQTPVYLGATAGMRLLRMESEQSADEVLAAVSTSLKSYPFDFQGAKIITGQEEGAYGWITINYLLGRFTQEQSWLSLISDSQKQETFGALDLGGASTQITFVPQNSTIESPENSLQFRLYGEDYTVYTHSFLCYGKDQALWQKLAKDIQVSSGGVLKDPCFNPGYEKVVNVSELYGTPCTKRFEKKLPFDQFRIQGTGDYEQCHQSILELFNNSHCPYSQCAFNGVFLPPLHGSFGAFSAFYFVMDFFKKVAKNSVISQEKMTEITKNFCSKSWEETKTSYPSVKEKYLSEYCFSGAYILSLLQGYNFTDSSWEQIHFMGKIKDSNAGWTLGYMLNLTNMIPAEQPLSPPLPHSTYIGLMVLFSLLLVAVAITGLFIYSKPSYFWKEAV		Ectonucleoside triphosphate diphosphohydrolase 1	ENTP1_MOUSE	P55772							
51365933	OS(=O)(=O)C1=CC\C(=N/C(=O)C2=C\C(C=CC2)=N\C(=O)C2=CC=C\C(C2)=N/C(=O)/N=C2/CC(=CC=C2)C(=O)\N=C2\CC(=CC=C2)C(=O)\N=C2/CC=C(c3cc(cc(c23)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)c2c1cc(cc2S(O)(=O)=O)S(O)(=O)=O	InChI=1S/C49H36N6O23S6/c56-45(50-29-9-1-7-27(17-29)47(58)54-37-13-15-39(81(67,68)69)35-21-33(79(61,62)63)23-41(43(35)37)83(73,74)75)25-5-3-11-31(19-25)52-49(60)53-32-12-4-6-26(20-32)46(57)51-30-10-2-8-28(18-30)48(59)55-38-14-16-40(82(70,71)72)36-22-34(80(64,65)66)24-42(44(36)38)84(76,77)78/h1-7,9-12,15-16,18,21-24H,8,13-14,17,19-20H2,(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)/b50-29+,51-30+,52-31+,53-32+,54-37+,55-38+	KWKVPRFHUNTXGS-HSNBEZQTSA-N	50552128	CHEMBL4787368	Ectonucleoside triphosphate diphosphohydrolase 1			 52000							ChEMBL	10.1021/acs.jmedchem.0c01044	10.7270/Q2B27ZZ6	32786396			Jeffrey, JL; Lawson, KV; Powers, JP	Arcus Biosciences	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50552128	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000889&target=Ectonucleoside+triphosphate+diphosphohydrolase+1&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50552128&enzyme=Ectonucleoside+triphosphate+diphosphohydrolase+1&column=ki&startPg=0&Increment=50&submit=Search			162668383	461682468							1	MEDIKDSKVKRFCSKNILIILGFTSILAVIALIAVGLTQNKPLPENVKYGIVLDAGSSHTNLYIYKWPAEKENDTGVVQQLEECQVKGPGISKYAQKTDEIGAYLAECMELSTELIPTSKHHQTPVYLGATAGMRLLRMESEQSADEVLAAVSTSLKSYPFDFQGAKIITGQEEGAYGWITINYLLGRFTQEQSWLSLISDSQKQETFGALDLGGASTQITFVPQNSTIESPENSLQFRLYGEDYTVYTHSFLCYGKDQALWQKLAKDIQVSSGGVLKDPCFNPGYEKVVNVSELYGTPCTKRFEKKLPFDQFRIQGTGDYEQCHQSILELFNNSHCPYSQCAFNGVFLPPLHGSFGAFSAFYFVMDFFKKVAKNSVISQEKMTEITKNFCSKSWEETKTSYPSVKEKYLSEYCFSGAYILSLLQGYNFTDSSWEQIHFMGKIKDSNAGWTLGYMLNLTNMIPAEQPLSPPLPHSTYIGLMVLFSLLLVAVAITGLFIYSKPSYFWKEAV		Ectonucleoside triphosphate diphosphohydrolase 1	ENTP1_MOUSE	P55772