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
50059057	CC(C)C1CCN(C(C1)C(O)=O)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1ccc2ccccc2c1	InChI=1S/C25H35N5O5S/c1-16(2)18-11-13-30(22(15-18)24(32)33)23(31)21(8-5-12-28-25(26)27)29-36(34,35)20-10-9-17-6-3-4-7-19(17)14-20/h3-4,6-7,9-10,14,16,18,21-22,29H,5,8,11-13,15H2,1-2H3,(H,32,33)(H4,26,27,28)	ACAPUYNXNZLYPN-UHFFFAOYSA-N	50404381	CHEMBL5274740	E3 ubiquitin-protein ligase RNF4			 1800							ChEMBL		10.7270/Q2833X64	35763424			n/a	n/a	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50404381	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001113&target=E3+ubiquitin-protein+ligase+RNF4&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50404381&enzyme=E3+ubiquitin-protein+ligase+RNF4&column=ki&startPg=0&Increment=50&submit=Search			44459735	163353405		CHEMBL281220				ZINC40645955	1	MSTRKRRGGAINSRQAQKRTREATSTPEISLEAEPIELVETAGDEIVDLTCESLEPVVVDLTHNDSVVIVDERRRPRRNARRLPQDHADSCVVSSDDEELSRDRDVYVTTHTPRNARDEGATGLRPSGTVSCPICMDGYSEIVQNGRLIVSTECGHVFCSQCLRDSLKNANTCPTCRKKINHKRYHPIYI		E3 ubiquitin-protein ligase RNF4	RNF4_HUMAN	P78317	B2R6D6 D6RF58 Q49AR8						
50059058	COc1cc2ccc(cc2cc1OC)S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCc2ccccc2C1C(O)=O	InChI=1S/C28H33N5O7S/c1-39-23-15-18-9-10-20(14-19(18)16-24(23)40-2)41(37,38)32-22(8-5-12-31-28(29)30)26(34)33-13-11-17-6-3-4-7-21(17)25(33)27(35)36/h3-4,6-7,9-10,14-16,22,25,32H,5,8,11-13H2,1-2H3,(H,35,36)(H4,29,30,31)	CMXZJNKISXRUIC-UHFFFAOYSA-N	50404382	CHEMBL5274757	E3 ubiquitin-protein ligase RNF4			 540							ChEMBL		10.7270/Q2833X64	35763424			n/a	n/a	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50404382	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001113&target=E3+ubiquitin-protein+ligase+RNF4&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50404382&enzyme=E3+ubiquitin-protein+ligase+RNF4&column=ki&startPg=0&Increment=50&submit=Search			44459539	163353406		CHEMBL285336				ZINC28755572	1	MSTRKRRGGAINSRQAQKRTREATSTPEISLEAEPIELVETAGDEIVDLTCESLEPVVVDLTHNDSVVIVDERRRPRRNARRLPQDHADSCVVSSDDEELSRDRDVYVTTHTPRNARDEGATGLRPSGTVSCPICMDGYSEIVQNGRLIVSTECGHVFCSQCLRDSLKNANTCPTCRKKINHKRYHPIYI		E3 ubiquitin-protein ligase RNF4	RNF4_HUMAN	P78317	B2R6D6 D6RF58 Q49AR8						
51545432	ClCC(=O)Nc1ccc(Oc2ccccc2)cc1	InChI=1S/C14H12ClNO2/c15-10-14(17)16-11-6-8-13(9-7-11)18-12-4-2-1-3-5-12/h1-9H,10H2,(H,16,17)	PHUZNDQAFGNCRQ-UHFFFAOYSA-N	50621583	CHEMBL2164311	E3 ubiquitin-protein ligase RNF4	Homo sapiens		 10000							ChEMBL	10.1021/acs.jmedchem.2c01882	10.7270/Q2SJ1R0R	36821822			n/a	n/a	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50621583	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001113&target=E3+ubiquitin-protein+ligase+RNF4&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50621583&enzyme=E3+ubiquitin-protein+ligase+RNF4&column=ki&startPg=0&Increment=50&submit=Search											1	MSTRKRRGGAINSRQAQKRTREATSTPEISLEAEPIELVETAGDEIVDLTCESLEPVVVDLTHNDSVVIVDERRRPRRNARRLPQDHADSCVVSSDDEELSRDRDVYVTTHTPRNARDEGATGLRPSGTVSCPICMDGYSEIVQNGRLIVSTECGHVFCSQCLRDSLKNANTCPTCRKKINHKRYHPIYI	5AIU,5AIT,4AP4	E3 ubiquitin-protein ligase RNF4	RNF4_HUMAN	P78317	B2R6D6 D6RF58 Q49AR8						
51545433	CC(C)C1CCN(C(C1)C(O)=O)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1ccc2ccccc2c1	InChI=1S/C25H35N5O5S/c1-16(2)18-11-13-30(22(15-18)24(32)33)23(31)21(8-5-12-28-25(26)27)29-36(34,35)20-10-9-17-6-3-4-7-19(17)14-20/h3-4,6-7,9-10,14,16,18,21-22,29H,5,8,11-13,15H2,1-2H3,(H,32,33)(H4,26,27,28)	ACAPUYNXNZLYPN-UHFFFAOYSA-N	50404381	CHEMBL5274740	E3 ubiquitin-protein ligase RNF4	Homo sapiens		 1800							ChEMBL	10.1021/acs.jmedchem.2c01882	10.7270/Q2SJ1R0R	36821822			n/a	n/a	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50404381	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001113&target=E3+ubiquitin-protein+ligase+RNF4&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50404381&enzyme=E3+ubiquitin-protein+ligase+RNF4&column=ki&startPg=0&Increment=50&submit=Search			44459735	163353405		CHEMBL281220				ZINC40645955	1	MSTRKRRGGAINSRQAQKRTREATSTPEISLEAEPIELVETAGDEIVDLTCESLEPVVVDLTHNDSVVIVDERRRPRRNARRLPQDHADSCVVSSDDEELSRDRDVYVTTHTPRNARDEGATGLRPSGTVSCPICMDGYSEIVQNGRLIVSTECGHVFCSQCLRDSLKNANTCPTCRKKINHKRYHPIYI	5AIU,5AIT,4AP4	E3 ubiquitin-protein ligase RNF4	RNF4_HUMAN	P78317	B2R6D6 D6RF58 Q49AR8						
51545434	COc1cc2ccc(cc2cc1OC)S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCc2ccccc2C1C(O)=O	InChI=1S/C28H33N5O7S/c1-39-23-15-18-9-10-20(14-19(18)16-24(23)40-2)41(37,38)32-22(8-5-12-31-28(29)30)26(34)33-13-11-17-6-3-4-7-21(17)25(33)27(35)36/h3-4,6-7,9-10,14-16,22,25,32H,5,8,11-13H2,1-2H3,(H,35,36)(H4,29,30,31)	CMXZJNKISXRUIC-UHFFFAOYSA-N	50404382	CHEMBL5274757	E3 ubiquitin-protein ligase RNF4	Homo sapiens		 540							ChEMBL	10.1021/acs.jmedchem.2c01882	10.7270/Q2SJ1R0R	36821822			n/a	n/a	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50404382	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001113&target=E3+ubiquitin-protein+ligase+RNF4&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50404382&enzyme=E3+ubiquitin-protein+ligase+RNF4&column=ki&startPg=0&Increment=50&submit=Search			44459539	163353406		CHEMBL285336				ZINC28755572	1	MSTRKRRGGAINSRQAQKRTREATSTPEISLEAEPIELVETAGDEIVDLTCESLEPVVVDLTHNDSVVIVDERRRPRRNARRLPQDHADSCVVSSDDEELSRDRDVYVTTHTPRNARDEGATGLRPSGTVSCPICMDGYSEIVQNGRLIVSTECGHVFCSQCLRDSLKNANTCPTCRKKINHKRYHPIYI	5AIU,5AIT,4AP4	E3 ubiquitin-protein ligase RNF4	RNF4_HUMAN	P78317	B2R6D6 D6RF58 Q49AR8						
51566012	CC(C)C1CCN(C(C1)C(O)=O)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1ccc2ccccc2c1	InChI=1S/C25H35N5O5S/c1-16(2)18-11-13-30(22(15-18)24(32)33)23(31)21(8-5-12-28-25(26)27)29-36(34,35)20-10-9-17-6-3-4-7-19(17)14-20/h3-4,6-7,9-10,14,16,18,21-22,29H,5,8,11-13,15H2,1-2H3,(H,32,33)(H4,26,27,28)	ACAPUYNXNZLYPN-UHFFFAOYSA-N	50404381	CHEMBL5274740	E3 ubiquitin-protein ligase RNF4	Homo sapiens		 1800							ChEMBL	10.1016/j.ejmech.2023.115444	10.7270/Q2PV6QT5	37178483			n/a	n/a	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50404381	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001113&target=E3+ubiquitin-protein+ligase+RNF4&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50404381&enzyme=E3+ubiquitin-protein+ligase+RNF4&column=ki&startPg=0&Increment=50&submit=Search			44459735	163353405		CHEMBL281220				ZINC40645955	1	MSTRKRRGGAINSRQAQKRTREATSTPEISLEAEPIELVETAGDEIVDLTCESLEPVVVDLTHNDSVVIVDERRRPRRNARRLPQDHADSCVVSSDDEELSRDRDVYVTTHTPRNARDEGATGLRPSGTVSCPICMDGYSEIVQNGRLIVSTECGHVFCSQCLRDSLKNANTCPTCRKKINHKRYHPIYI	5AIU,5AIT,4AP4	E3 ubiquitin-protein ligase RNF4	RNF4_HUMAN	P78317	B2R6D6 D6RF58 Q49AR8						
51566013	COc1cc2ccc(cc2cc1OC)S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCc2ccccc2C1C(O)=O	InChI=1S/C28H33N5O7S/c1-39-23-15-18-9-10-20(14-19(18)16-24(23)40-2)41(37,38)32-22(8-5-12-31-28(29)30)26(34)33-13-11-17-6-3-4-7-21(17)25(33)27(35)36/h3-4,6-7,9-10,14-16,22,25,32H,5,8,11-13H2,1-2H3,(H,35,36)(H4,29,30,31)	CMXZJNKISXRUIC-UHFFFAOYSA-N	50404382	CHEMBL5274757	E3 ubiquitin-protein ligase RNF4	Homo sapiens		 540							ChEMBL	10.1016/j.ejmech.2023.115444	10.7270/Q2PV6QT5	37178483			n/a	n/a	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50404382	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001113&target=E3+ubiquitin-protein+ligase+RNF4&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50404382&enzyme=E3+ubiquitin-protein+ligase+RNF4&column=ki&startPg=0&Increment=50&submit=Search			44459539	163353406		CHEMBL285336				ZINC28755572	1	MSTRKRRGGAINSRQAQKRTREATSTPEISLEAEPIELVETAGDEIVDLTCESLEPVVVDLTHNDSVVIVDERRRPRRNARRLPQDHADSCVVSSDDEELSRDRDVYVTTHTPRNARDEGATGLRPSGTVSCPICMDGYSEIVQNGRLIVSTECGHVFCSQCLRDSLKNANTCPTCRKKINHKRYHPIYI	5AIU,5AIT,4AP4	E3 ubiquitin-protein ligase RNF4	RNF4_HUMAN	P78317	B2R6D6 D6RF58 Q49AR8