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
51293707	C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N	InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1	UJLAWZDWDVHWOW-YPMHNXCESA-N	50193995	3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile::3-(4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile::3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile::CHEMBL221959::CP-690550::TOFACITINIB CITRATE::Tofacitinib::Tofacitinib citrate (1)::US10112907, Example 00035::US10399979, Compound Tofacitinib::US10766894, Compound TABLE 1.20::US10875847, Compound Tofacitinib::US11078206, Example Tofacitinib::US11203595, TABLE 1.20::US11339167, Example Tofacitinib	Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1	Mus musculus		 112							ChEMBL	10.1021/acs.jmedchem.9b01439	10.7270/Q2H135FN	32134643			Leonard, KA; Madge, LA; Krawczuk, PJ; Wang, A; Kreutter, KD; Bacani, GM; Chai, W; Smith, RC; Tichenor, MS; Harris, MC; Malaviya, R; Seierstad, M; Johnson, ME; Venable, JD; Kim, S; Hirst, GC; Mathur, AS; Rao, TS; Edwards, JP; Rizzolio, MC; Koudriakova, T	Janssen Research and Development	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50193995	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=50003901&target=Non-receptor+tyrosine-protein+kinase+TYK2%2FTyrosine-protein+kinase+JAK1&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50193995&enzyme=Non-receptor+tyrosine-protein+kinase+TYK2%2FTyrosine-protein+kinase+JAK1&column=ki&startPg=0&Increment=50&submit=Search	MI1	3LXK,3LXN,4OTI,3EYG,3FUP	9926791	104076339	71200	CHEMBL221959	DB08183	5677		ZINC03818808	2	MVGTMPLCGRRAILEDSKADGTEAQPLVPTGCLMVLLHWPGPEGGEPWVTFSQTSLTAEEVCIHIAHKVGITPPCLNLFALYNAQAKVWLPPNHILDTSQDMNLYFRMRFYFRNWHGMNPQEPAVYRCGFPGAETSSDRAEQGVQLLDSASFEYLFEQGKHEFMNDVVSLRDLSSEEEIHHFKNESLGMAFLHLCHLALSRGVPLEEMAREISFKNCIPHSFRQHIRQHNVLTRLRLHRVFRRFLRAFRPGHLSQQVVMVKYLATLERLAPRFGSERIPVCHLEVLAQPERDPCYIQNSGQTAGDPGPELPSGPPTHEVLVTGTGGIQWHPLQTQESERGNSRGNPHGSRSGKKPKAPKAGEHLTESPQEPPWTYFCDFQDISHVVLKERRVHIHLQDNKCLLLCLCSQAEALSFVALVDGYFRLTADSSHYLCHEVAPPRLVTSIQNGIHGPLMDPFVQAKLWPEDGLYLIQWSTSHLHRLILTVAHRNPAFSNGPRGLRLRKFPITQQPGAFVLDGWGRSFASLGDLRLALQGCSLRAGDDCFPLHHCCLPRPREISNLVIMRGSRAHTRPLNLSQLSFHRVHQDEITQLSHLGQGTRTNVYEGLLRVGGPDEGKVDNGCPPEPGGTSGQQLRVVLKVLDPSHHDIALAFYETASLMSQVSHMHLAFLHGVCVRGSENIIVTEFVEHGPLDVWLRRQRGQVPMTWKMVVAQQLASALSYLEDKNLVHGNVCGRNILLARLGLEEGTNPFIKLSDPGVGQGALSREERVERIPWTAPECLSGGTSSLGTATDMWGFGATLLEICFDGEAPLQGRGPSEKERFYTKKHQLPEPSSPELATLTRQCLTYEPAQRPSFRTILRDLTRLQPQNLVGTSAVNSDSPASDPTVFHKRYLKKIRDLGEGHFGKVSLYCYDPTNDGTGEMVAVKALKEGCGPQLRSGWQREIEILRTLYHEHIVKYKGCCEDQGEKSVQLVMEYVPLGSLRDYLPRHCVGLAQLLLFAQQICEGMAYLHAQHYIHRDLAARNVLLDNDRLVKIGDFGLAKAVPEGHEYYRVREDGDSPVFWYAPECLKECKFYYASDVWSFGVTLYELLTYCDSNQSPHMKFTELIGHTQGQMTVLRLTELLERGERLPRPDRCPCEIYHLMKNCWETEASFRPTFQNLVPILQTAQEKYQGQVPSVFSVC	4GIH,4GII,4GJ2,4GJ3,5WAL	Non-receptor tyrosine-protein kinase TYK2	TYK2_MOUSE	Q9R117	O88431 Q3TXE3 Q52KQ2 Q8VE41							MQYLNIKEDCNAMAFCAKMRSFKKTEVKQVVPEPGVEVTFYLLDREPLRLGSGEYTAEELCIRAAQECSISPLCHNLFALYDESTKLWYAPNRIITVDDKTSLRLHYRMRFYFTNWHGTNDNEQSVWRHSPKKQKNGYEKKRVPEATPLLDASSLEYLFAQGQYDLIKCLAPIRDPKTEQDGHDIENECLGMAVLAISHYAMMKKMQLPELPKDISYKRYIPETLNKSIRQRNLLTRMRINNVFKDFLKEFNNKTICDSSVHDLKVKYLATLETSTLTKHYGAEIFETSMLLISSENELSRCHSNDSGNVLYEVMVTGNLGIQWRQKPNVVPVEKEKNKLKRKKLEYNKHKKDDERNKLREEWNNFSYFPEITHIVIKESVVSINKQDNKNMELKLSSREEALSFVSLVDGYFRLTADAHHYLCTDVAPPLIVHNIQNGCHGPICTEYAINKLRQEGSEEGMYVLRWSCTDFDNILMTVTCFEKSEVLGGQKQFKNFQIEVQKGRYSLHGSMDHFPSLRDLMNHLKKQILRTDNISFVLKRCCQPKPREISNLLVATKKAQEWQPVYSMSQLSFDRILKKDIIQGEHLGRGTRTHIYSGTLLDYKDEEGIAEEKKIKVILKVLDPSHRDISLAFFEAASMMRQVSHKHIVYLYGVCVRDVENIMVEEFVEGGPLDLFMHRKSDALTTPWKFKVAKQLASALSYLEDKDLVHGNVCTKNLLLAREGIDSDIGPFIKLSDPGIPVSVLTRQECIERIPWIAPECVEDSKNLSVAADKWSFGTTLWEICYNGEIPLKDKTLIEKERFYESRCRPVTPSCKELADLMTRCMNYDPNQRPFFRAIMRDINKLEEQNPDIVSEKQPTTEVDPTHFEKRFLKRIRDLGEGHFGKVELCRYDPEGDNTGEQVAVKSLKPESGGNHIADLKKEIEILRNLYHENIVKYKGICMEDGGNGIKLIMEFLPSGSLKEYLPKNKNKINLKQQLKYAIQICKGMDYLGSRQYVHRDLAARNVLVESEHQVKIGDFGLTKAIETDKEYYTVKDDRDSPVFWYAPECLIQCKFYIASDVWSFGVTLHELLTYCDSDFSPMALFLKMIGPTHGQMTVTRLVKTLKEGKRLPCPPNCPDEVYQLMRKCWEFQPSNRTTFQNLIEGFEALLK		Tyrosine-protein kinase JAK1	JAK1_MOUSE	P52332	Q62126