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
50427075	Oc1ccc(F)c(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3C(F)(F)F)c2)c1F	InChI=1S/C24H14F5NO4S2/c25-16-8-9-17(31)22(26)21(16)23(32)19-11-10-18(35-19)13-4-3-5-14(12-13)30-36(33,34)20-7-2-1-6-15(20)24(27,28)29/h1-12,30-31H	XPRMXEDUCYZGTN-UHFFFAOYSA-N	50126973	CHEMBL3629587	17-beta-hydroxysteroid dehydrogenase type 1			 250							ChEMBL	10.1016/j.ejmech.2015.08.030	10.7270/Q22V2HXX	26322835			Abdelsamie, AS; Bey, E; Gargano, EM; van Koppen, CJ; Empting, M; Frotscher, M	Saarland University	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50126973	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006991&target=17-beta-hydroxysteroid+dehydrogenase+type+1&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50126973&enzyme=17-beta-hydroxysteroid+dehydrogenase+type+1&column=ki&startPg=0&Increment=50&submit=Search			122194412	321902449		CHEMBL3629587					1	MDPTVVLITGCSSGIGMHLAVRLASDRSQSFKVYATLRDLKAQGPLLEAARTQGCPPGSLEILELDVRDSKSVAAAQACVTEGRVDVLVCNAGRGLFGPLEAHELNAVGAVLDVNVLGTIRMLQAFLPDMKRRHSGRVLVTASVGGLMGLPFHEVYCASKFALEGLCESLAILLPLFGVHVSLIECGAVHTAFYEKLVGGPGGALERADAQTRHLFAHYLRGYEQALSEAQDPEEVTELFLTAMRAPQPALRYFSTNRFLPLARMRTEDPSGSSYVAAMHQEAFSNLQTQENAKAGAQVPGVSDTASSALICLPECAIPRVASELGWSASDKPGQDNSCYQQKI		17-beta-hydroxysteroid dehydrogenase type 1	DHB1_MOUSE	P51656							
50427076	Cc1cc(NS(=O)(=O)C2CC2)cc(c1)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F	InChI=1S/C21H17F2NO4S2/c1-11-8-12(10-13(9-11)24-30(27,28)14-2-3-14)17-6-7-18(29-17)21(26)19-15(22)4-5-16(25)20(19)23/h4-10,14,24-25H,2-3H2,1H3	ARYRCGSUJZWHTF-UHFFFAOYSA-N	50126977	CHEMBL3629591	17-beta-hydroxysteroid dehydrogenase type 1			 600							ChEMBL	10.1016/j.ejmech.2015.08.030	10.7270/Q22V2HXX	26322835			Abdelsamie, AS; Bey, E; Gargano, EM; van Koppen, CJ; Empting, M; Frotscher, M	Saarland University	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50126977	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006991&target=17-beta-hydroxysteroid+dehydrogenase+type+1&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50126977&enzyme=17-beta-hydroxysteroid+dehydrogenase+type+1&column=ki&startPg=0&Increment=50&submit=Search			122194416	321902453		CHEMBL3629591					1	MDPTVVLITGCSSGIGMHLAVRLASDRSQSFKVYATLRDLKAQGPLLEAARTQGCPPGSLEILELDVRDSKSVAAAQACVTEGRVDVLVCNAGRGLFGPLEAHELNAVGAVLDVNVLGTIRMLQAFLPDMKRRHSGRVLVTASVGGLMGLPFHEVYCASKFALEGLCESLAILLPLFGVHVSLIECGAVHTAFYEKLVGGPGGALERADAQTRHLFAHYLRGYEQALSEAQDPEEVTELFLTAMRAPQPALRYFSTNRFLPLARMRTEDPSGSSYVAAMHQEAFSNLQTQENAKAGAQVPGVSDTASSALICLPECAIPRVASELGWSASDKPGQDNSCYQQKI		17-beta-hydroxysteroid dehydrogenase type 1	DHB1_MOUSE	P51656							
50427077	CN(c1cc(C)cc(c1)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F)S(=O)(=O)C1CC1	InChI=1S/C22H19F2NO4S2/c1-12-9-13(11-14(10-12)25(2)31(28,29)15-3-4-15)18-7-8-19(30-18)22(27)20-16(23)5-6-17(26)21(20)24/h5-11,15,26H,3-4H2,1-2H3	HXDPJZZZCAYSRL-UHFFFAOYSA-N	50126978	CHEMBL3629592	17-beta-hydroxysteroid dehydrogenase type 1			 510							ChEMBL	10.1016/j.ejmech.2015.08.030	10.7270/Q22V2HXX	26322835			Abdelsamie, AS; Bey, E; Gargano, EM; van Koppen, CJ; Empting, M; Frotscher, M	Saarland University	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50126978	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006991&target=17-beta-hydroxysteroid+dehydrogenase+type+1&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50126978&enzyme=17-beta-hydroxysteroid+dehydrogenase+type+1&column=ki&startPg=0&Increment=50&submit=Search			122194417	321902454		CHEMBL3629592					1	MDPTVVLITGCSSGIGMHLAVRLASDRSQSFKVYATLRDLKAQGPLLEAARTQGCPPGSLEILELDVRDSKSVAAAQACVTEGRVDVLVCNAGRGLFGPLEAHELNAVGAVLDVNVLGTIRMLQAFLPDMKRRHSGRVLVTASVGGLMGLPFHEVYCASKFALEGLCESLAILLPLFGVHVSLIECGAVHTAFYEKLVGGPGGALERADAQTRHLFAHYLRGYEQALSEAQDPEEVTELFLTAMRAPQPALRYFSTNRFLPLARMRTEDPSGSSYVAAMHQEAFSNLQTQENAKAGAQVPGVSDTASSALICLPECAIPRVASELGWSASDKPGQDNSCYQQKI		17-beta-hydroxysteroid dehydrogenase type 1	DHB1_MOUSE	P51656							
51290338	Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)c2)c1F	InChI=1S/C24H13F6NO5S2/c25-15-11-14(20(26)23(33)21(15)27)22(32)18-9-8-17(37-18)12-4-3-5-13(10-12)31-38(34,35)19-7-2-1-6-16(19)36-24(28,29)30/h1-11,31,33H	RKOXKEAQCMCSPB-UHFFFAOYSA-N	50466002	CHEMBL4285743	17-beta-hydroxysteroid dehydrogenase type 1			 1764							ChEMBL	10.1021/acs.jmedchem.8b01493	10.7270/Q2CR5XS0	30645111			Abdelsamie, AS; Herath, S; Biskupek, Y; Börger, C; Siebenbürger, L; Salah, M; Scheuer, C; Marchais-Oberwinkler, S; Frotscher, M; Pohlemann, T; Menger, MD; Hartmann, RW; Laschke, MW; van Koppen, CJ	ElexoPharm GmbH	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50466002	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006991&target=17-beta-hydroxysteroid+dehydrogenase+type+1&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50466002&enzyme=17-beta-hydroxysteroid+dehydrogenase+type+1&column=ki&startPg=0&Increment=50&submit=Search			122652951	433933267							1	MDPTVVLITGCSSGIGMHLAVRLASDRSQSFKVYATLRDLKAQGPLLEAARTQGCPPGSLEILELDVRDSKSVAAAQACVTEGRVDVLVCNAGRGLFGPLEAHELNAVGAVLDVNVLGTIRMLQAFLPDMKRRHSGRVLVTASVGGLMGLPFHEVYCASKFALEGLCESLAILLPLFGVHVSLIECGAVHTAFYEKLVGGPGGALERADAQTRHLFAHYLRGYEQALSEAQDPEEVTELFLTAMRAPQPALRYFSTNRFLPLARMRTEDPSGSSYVAAMHQEAFSNLQTQENAKAGAQVPGVSDTASSALICLPECAIPRVASELGWSASDKPGQDNSCYQQKI		17-beta-hydroxysteroid dehydrogenase type 1	DHB1_MOUSE	P51656