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
51516973	Cc1cccc(n1)-c1[nH]c(CNc2ccccc2F)nc1-c1ccc2ncnn2c1	InChI=1S/C22H18FN7/c1-14-5-4-8-18(27-14)22-21(15-9-10-20-25-13-26-30(20)12-15)28-19(29-22)11-24-17-7-3-2-6-16(17)23/h2-10,12-13,24H,11H2,1H3,(H,28,29)	FJCDSQATIJKQKA-UHFFFAOYSA-N	50015639	CHEMBL3260567::USRE47141, Example 2	Transforming growth factor beta-1 proprotein			 13							ChEMBL		10.7270/Q26H4NP0	33773287			n/a	n/a	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50015639	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001474&target=Transforming+growth+factor+beta-1+proprotein&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50015639&enzyme=Transforming+growth+factor+beta-1+proprotein&column=ki&startPg=0&Increment=50&submit=Search			54766013	242041336		CHEMBL3260567					1	MPPSGLRLLPLLLPLLWLLVLTPGRPAAGLSTCKTIDMELVKRKRIEAIRGQILSKLRLASPPSQGEVPPGPLPEAVLALYNSTRDRVAGESAEPEPEPEADYYAKEVTRVLMVETHNEIYDKFKQSTHSIYMFFNTSELREAVPEPVLLSRAELRLLRLKLKVEQHVELYQKYSNNSWRYLSNRLLAPSDSPEWLSFDVTGVVRQWLSRGGEIEGFRLSAHCSCDSRDNTLQVDINGFTTGRRGDLATIHGMNRPFLLLMATPLERAQHLQSSRHRRALDTNYCFSSTEKNCCVRQLYIDFRKDLGWKWIHEPKGYHANFCLGPCPYIWSLDTQYSKVLALYNQHNPGASAAPCCVPQALEPLPIVYYVGRKPKVEQLSNMIVRSCKCS		Mothers against decapentaplegic homolog 3	SMAD3_HUMAN	P84022	A8K4B6 B7Z4Z5 B7Z6M9 B7Z9Q2 F5H383 O09064 O09144 O14510 O35273 Q92940 Q93002 Q9GKR4						
51516974	Cc1cc(cc(n1)-c1cc2CCCn2n1)-c1ccnc2ccc(cc12)C(N)=O	InChI=1S/C22H19N5O/c1-13-9-15(11-20(25-13)21-12-16-3-2-8-27(16)26-21)17-6-7-24-19-5-4-14(22(23)28)10-18(17)19/h4-7,9-12H,2-3,8H2,1H3,(H2,23,28)	NHPOPKNMQWYZLR-UHFFFAOYSA-N	50610512	CHEMBL5272606	Transforming growth factor beta-1 proprotein			 56							ChEMBL		10.7270/Q26H4NP0	33773287			n/a	n/a	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50610512	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001474&target=Transforming+growth+factor+beta-1+proprotein&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50610512&enzyme=Transforming+growth+factor+beta-1+proprotein&column=ki&startPg=0&Increment=50&submit=Search			171347307	494500260							1	MPPSGLRLLPLLLPLLWLLVLTPGRPAAGLSTCKTIDMELVKRKRIEAIRGQILSKLRLASPPSQGEVPPGPLPEAVLALYNSTRDRVAGESAEPEPEPEADYYAKEVTRVLMVETHNEIYDKFKQSTHSIYMFFNTSELREAVPEPVLLSRAELRLLRLKLKVEQHVELYQKYSNNSWRYLSNRLLAPSDSPEWLSFDVTGVVRQWLSRGGEIEGFRLSAHCSCDSRDNTLQVDINGFTTGRRGDLATIHGMNRPFLLLMATPLERAQHLQSSRHRRALDTNYCFSSTEKNCCVRQLYIDFRKDLGWKWIHEPKGYHANFCLGPCPYIWSLDTQYSKVLALYNQHNPGASAAPCCVPQALEPLPIVYYVGRKPKVEQLSNMIVRSCKCS		Mothers against decapentaplegic homolog 3	SMAD3_HUMAN	P84022	A8K4B6 B7Z4Z5 B7Z6M9 B7Z9Q2 F5H383 O09064 O09144 O14510 O35273 Q92940 Q93002 Q9GKR4						
51516975	CC(C)(C)c1cc(Nc2cc(Oc3cn(nc3C3CCOCC3)C3CC3)ccn2)ccn1	InChI=1S/C25H31N5O2/c1-25(2,3)22-14-18(6-10-26-22)28-23-15-20(7-11-27-23)32-21-16-30(19-4-5-19)29-24(21)17-8-12-31-13-9-17/h6-7,10-11,14-17,19H,4-5,8-9,12-13H2,1-3H3,(H,26,27,28)	SSDIMIOWHBRXOR-UHFFFAOYSA-N	50610513	CHEMBL5280211	Transforming growth factor beta-1 proprotein			 38							ChEMBL		10.7270/Q26H4NP0	33773287			n/a	n/a	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50610513	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001474&target=Transforming+growth+factor+beta-1+proprotein&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50610513&enzyme=Transforming+growth+factor+beta-1+proprotein&column=ki&startPg=0&Increment=50&submit=Search			171356373	494500261							1	MPPSGLRLLPLLLPLLWLLVLTPGRPAAGLSTCKTIDMELVKRKRIEAIRGQILSKLRLASPPSQGEVPPGPLPEAVLALYNSTRDRVAGESAEPEPEPEADYYAKEVTRVLMVETHNEIYDKFKQSTHSIYMFFNTSELREAVPEPVLLSRAELRLLRLKLKVEQHVELYQKYSNNSWRYLSNRLLAPSDSPEWLSFDVTGVVRQWLSRGGEIEGFRLSAHCSCDSRDNTLQVDINGFTTGRRGDLATIHGMNRPFLLLMATPLERAQHLQSSRHRRALDTNYCFSSTEKNCCVRQLYIDFRKDLGWKWIHEPKGYHANFCLGPCPYIWSLDTQYSKVLALYNQHNPGASAAPCCVPQALEPLPIVYYVGRKPKVEQLSNMIVRSCKCS		Mothers against decapentaplegic homolog 3	SMAD3_HUMAN	P84022	A8K4B6 B7Z4Z5 B7Z6M9 B7Z9Q2 F5H383 O09064 O09144 O14510 O35273 Q92940 Q93002 Q9GKR4