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
50559600	CN1[C@@H]2CC[C@H]3[C@@H]4CC[C@@]5(CCC(C)(C)C(=O)O5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O	InChI=1S/C25H39NO3/c1-22(2)14-15-25(29-21(22)28)13-9-18-16-6-7-19-23(3,11-10-20(27)26(19)5)17(16)8-12-24(18,25)4/h16-19H,6-15H2,1-5H3/t16-,17+,18+,19-,23-,24+,25-/m1/s1	LFEBTWSCLAPHNR-ADUFETQJSA-N	50311131	(2'R,4aR,4bS,6aS,9aS,9bR,11aR)-1,4a,5',5',6a-pentamethylhexadecahydrospiro[indeno[5,4-f]quinoline-7,2'-pyran]-2,6'(1H,3'H)-dione::CHEMBL1078003	3-keto-steroid reductase/17-beta-hydroxysteroid dehydrogenase 7	Homo sapiens		 116							ChEMBL	10.1021/jm900921c	10.7270/Q2KK9BXD	19772289			Bellavance, E; Luu-The, V; Poirier, D	CHUQ (CHUL) Research Center and Laval University	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50311131	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004448&target=3-keto-steroid+reductase%2F17-beta-hydroxysteroid+dehydrogenase+7&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50311131&enzyme=3-keto-steroid+reductase%2F17-beta-hydroxysteroid+dehydrogenase+7&column=ki&startPg=0&Increment=50&submit=Search			46882682	104145492		CHEMBL1078003				ZINC49000011	1	MRKVVLITGASSGIGLALCKRLLAEDDELHLCLACRNMSKAEAVCAALLASHPTAEVTIVQVDVSNLQSVFRASKELKQRFQRLDCIYLNAGIMPNPQLNIKALFFGLFSRKVIHMFSTAEGLLTQGDKITADGLQEVFETNVFGHFILIRELEPLLCHSDNPSQLIWTSSRSARKSNFSLEDFQHSKGKEPYSSSKYATDLLSVALNRNFNQQGLYSNVACPGTALTNLTYGILPPFIWTLLMPAILLLRFFANAFTLTPYNGTEALVWLFHQKPESLNPLIKYLSATTGFGRNYIMTQKMDLDEDTAEKFYQKLLELEKHIRVTIQKTDNQARLSGSCL		3-keto-steroid reductase/17-beta-hydroxysteroid dehydrogenase 7	DHB7_HUMAN	P56937	Q5T246 Q7Z4V9 Q8WWS2 Q9UF00						
50559601	CCCCCCCCCCN(C=O)C1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C	InChI=1S/C30H52N2O2/c1-5-6-7-8-9-10-11-12-21-32(22-33)27-16-14-24-23-13-15-26-29(2,20-18-28(34)31(26)4)25(23)17-19-30(24,27)3/h22-27H,5-21H2,1-4H3/t23-,24-,25-,26+,27?,29+,30-/m0/s1	BHHGCRMRDBRTQS-WFQJRKAESA-N	50311132	17beta-[(N-Decyl)formamido]-4-methyl-4-aza-5alpha-androstan-3-one::CHEMBL1079512	3-keto-steroid reductase/17-beta-hydroxysteroid dehydrogenase 7	Homo sapiens		 195							ChEMBL	10.1021/jm900921c	10.7270/Q2KK9BXD	19772289			Bellavance, E; Luu-The, V; Poirier, D	CHUQ (CHUL) Research Center and Laval University	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50311132	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004448&target=3-keto-steroid+reductase%2F17-beta-hydroxysteroid+dehydrogenase+7&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50311132&enzyme=3-keto-steroid+reductase%2F17-beta-hydroxysteroid+dehydrogenase+7&column=ki&startPg=0&Increment=50&submit=Search			46882310	104145493		CHEMBL1079512				ZINC49775105	1	MRKVVLITGASSGIGLALCKRLLAEDDELHLCLACRNMSKAEAVCAALLASHPTAEVTIVQVDVSNLQSVFRASKELKQRFQRLDCIYLNAGIMPNPQLNIKALFFGLFSRKVIHMFSTAEGLLTQGDKITADGLQEVFETNVFGHFILIRELEPLLCHSDNPSQLIWTSSRSARKSNFSLEDFQHSKGKEPYSSSKYATDLLSVALNRNFNQQGLYSNVACPGTALTNLTYGILPPFIWTLLMPAILLLRFFANAFTLTPYNGTEALVWLFHQKPESLNPLIKYLSATTGFGRNYIMTQKMDLDEDTAEKFYQKLLELEKHIRVTIQKTDNQARLSGSCL		3-keto-steroid reductase/17-beta-hydroxysteroid dehydrogenase 7	DHB7_HUMAN	P56937	Q5T246 Q7Z4V9 Q8WWS2 Q9UF00						
50559602	CCCCCCCN(C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C	InChI=1S/C27H48N2O/c1-6-7-8-9-10-19-28(4)23-14-12-21-20-11-13-24-27(3,18-16-25(30)29(24)5)22(20)15-17-26(21,23)2/h20-24H,6-19H2,1-5H3/t20-,21-,22-,23-,24+,26-,27+/m0/s1	NLFGKFYJKFIZBY-QJDMKIOZSA-N	50311133	17beta-[(N-Heptyl)methylamino]-4-methyl-4-aza-5alpha-androstan-3-one::CHEMBL1080041	3-keto-steroid reductase/17-beta-hydroxysteroid dehydrogenase 7	Homo sapiens		 189							ChEMBL	10.1021/jm900921c	10.7270/Q2KK9BXD	19772289			Bellavance, E; Luu-The, V; Poirier, D	CHUQ (CHUL) Research Center and Laval University	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50311133	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004448&target=3-keto-steroid+reductase%2F17-beta-hydroxysteroid+dehydrogenase+7&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50311133&enzyme=3-keto-steroid+reductase%2F17-beta-hydroxysteroid+dehydrogenase+7&column=ki&startPg=0&Increment=50&submit=Search			44597518	104145494		CHEMBL1080041				ZINC49792509	1	MRKVVLITGASSGIGLALCKRLLAEDDELHLCLACRNMSKAEAVCAALLASHPTAEVTIVQVDVSNLQSVFRASKELKQRFQRLDCIYLNAGIMPNPQLNIKALFFGLFSRKVIHMFSTAEGLLTQGDKITADGLQEVFETNVFGHFILIRELEPLLCHSDNPSQLIWTSSRSARKSNFSLEDFQHSKGKEPYSSSKYATDLLSVALNRNFNQQGLYSNVACPGTALTNLTYGILPPFIWTLLMPAILLLRFFANAFTLTPYNGTEALVWLFHQKPESLNPLIKYLSATTGFGRNYIMTQKMDLDEDTAEKFYQKLLELEKHIRVTIQKTDNQARLSGSCL		3-keto-steroid reductase/17-beta-hydroxysteroid dehydrogenase 7	DHB7_HUMAN	P56937	Q5T246 Q7Z4V9 Q8WWS2 Q9UF00