Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with all data for entry = 50040990   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50032762 ((4aR,10bR)-8-Chloro-4-methyl-1,4,4a,5,6,10b-hexahy...) Show SMILES CN1C2CCc3cc(Cl)ccc3[C@H]2CCC1=O Show InChI InChI=1S/C14H16ClNO/c1-16-13-6-2-9-8-10(15)3-4-11(9)12(13)5-7-14(16)17/h3-4,8,12-13H,2,5-7H2,1H3/t12-,13?/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory concentration required to inhibit Steroid 5-alpha-reductase type 1 in cultured Hs 68 human foreskin fibroblast cells				Bioorg Med Chem Lett 3: 1157-1162 (1993) Article DOI: 10.1016/S0960-894X(00)80306-6 BindingDB Entry DOI: 10.7270/Q2VD70NP
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50403176 (CHEMBL279420) Show SMILES CN1C(=O)CCC2=C1CCc1cc(C)ccc21 |c:6| Show InChI InChI=1S/C15H17NO/c1-10-3-5-12-11(9-10)4-7-14-13(12)6-8-15(17)16(14)2/h3,5,9H,4,6-8H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory concentration required to inhibit Steroid 5-alpha-reductase type 1 in cultured Hs 68 human foreskin fibroblast cells				Bioorg Med Chem Lett 3: 1157-1162 (1993) Article DOI: 10.1016/S0960-894X(00)80306-6 BindingDB Entry DOI: 10.7270/Q2VD70NP
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50044878 (4,8-Dimethyl-1,4,4a,5,6,10b-hexahydro-2H-benzo[f]q...) Show SMILES CN1[C@@H]2CCc3cc(C)ccc3[C@H]2CCC1=O Show InChI InChI=1S/C15H19NO/c1-10-3-5-12-11(9-10)4-7-14-13(12)6-8-15(17)16(14)2/h3,5,9,13-14H,4,6-8H2,1-2H3/t13-,14-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory concentration required to inhibit Steroid 5-alpha-reductase type 1 in cultured Hs 68 human foreskin fibroblast cells				Bioorg Med Chem Lett 3: 1157-1162 (1993) Article DOI: 10.1016/S0960-894X(00)80306-6 BindingDB Entry DOI: 10.7270/Q2VD70NP
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50044879 ((4aR,10bR)-8-Chloro-4,10b-dimethyl-1,4,4a,5,6,10b-...) Show SMILES CN1[C@@H]2CCc3cc(Cl)ccc3[C@@]2(C)CCC1=O Show InChI InChI=1S/C15H18ClNO/c1-15-8-7-14(18)17(2)13(15)6-3-10-9-11(16)4-5-12(10)15/h4-5,9,13H,3,6-8H2,1-2H3/t13-,15-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory concentration required to inhibit Steroid 5-alpha-reductase type 1 in cultured Hs 68 human foreskin fibroblast cells				Bioorg Med Chem Lett 3: 1157-1162 (1993) Article DOI: 10.1016/S0960-894X(00)80306-6 BindingDB Entry DOI: 10.7270/Q2VD70NP
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50044877 (8-Fluoro-4-methyl-1,4,4a,5,6,10b-hexahydro-2H-benz...) Show SMILES CN1[C@H]2CCc3cc(F)ccc3[C@H]2CCC1=O Show InChI InChI=1S/C14H16FNO/c1-16-13-6-2-9-8-10(15)3-4-11(9)12(13)5-7-14(16)17/h3-4,8,12-13H,2,5-7H2,1H3/t12-,13+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory concentration required to inhibit Steroid 5-alpha-reductase type 1 in cultured Hs 68 human foreskin fibroblast cells				Bioorg Med Chem Lett 3: 1157-1162 (1993) Article DOI: 10.1016/S0960-894X(00)80306-6 BindingDB Entry DOI: 10.7270/Q2VD70NP
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50403171 (CHEMBL278981) Show SMILES CN1C2CCc3cc(Br)ccc3C2CCC1=O Show InChI InChI=1S/C14H16BrNO/c1-16-13-6-2-9-8-10(15)3-4-11(9)12(13)5-7-14(16)17/h3-4,8,12-13H,2,5-7H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory concentration required to inhibit Steroid 5-alpha-reductase type 1 in cultured Hs 68 human foreskin fibroblast cells				Bioorg Med Chem Lett 3: 1157-1162 (1993) Article DOI: 10.1016/S0960-894X(00)80306-6 BindingDB Entry DOI: 10.7270/Q2VD70NP
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50403178 (CHEMBL16494) Show SMILES CN1C(=O)CCC2=C1CCc1cc(Br)ccc21 |c:6| Show InChI InChI=1S/C14H14BrNO/c1-16-13-6-2-9-8-10(15)3-4-11(9)12(13)5-7-14(16)17/h3-4,8H,2,5-7H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory concentration required to inhibit Steroid 5-alpha-reductase type 1 in cultured Hs 68 human foreskin fibroblast cells				Bioorg Med Chem Lett 3: 1157-1162 (1993) Article DOI: 10.1016/S0960-894X(00)80306-6 BindingDB Entry DOI: 10.7270/Q2VD70NP
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50403175 (CHEMBL439910) Show SMILES CN1C2CCc3cc(I)ccc3C2CCC1=O Show InChI InChI=1S/C14H16INO/c1-16-13-6-2-9-8-10(15)3-4-11(9)12(13)5-7-14(16)17/h3-4,8,12-13H,2,5-7H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory concentration required to inhibit Steroid 5-alpha-reductase type 1 in cultured Hs 68 human foreskin fibroblast cells				Bioorg Med Chem Lett 3: 1157-1162 (1993) Article DOI: 10.1016/S0960-894X(00)80306-6 BindingDB Entry DOI: 10.7270/Q2VD70NP
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50403172 (CHEMBL439908) Show SMILES CN1C2CCc3cc(ccc3C2CCC1=O)C(F)(F)F Show InChI InChI=1S/C15H16F3NO/c1-19-13-6-2-9-8-10(15(16,17)18)3-4-11(9)12(13)5-7-14(19)20/h3-4,8,12-13H,2,5-7H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory concentration required to inhibit Steroid 5-alpha-reductase type 1 in cultured Hs 68 human foreskin fibroblast cells				Bioorg Med Chem Lett 3: 1157-1162 (1993) Article DOI: 10.1016/S0960-894X(00)80306-6 BindingDB Entry DOI: 10.7270/Q2VD70NP
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50044892 (8-Methoxy-4-methyl-1,4,4a,5,6,10b-hexahydro-2H-ben...) Show SMILES COc1ccc2[C@H]3CCC(=O)N(C)[C@@H]3CCc2c1 Show InChI InChI=1S/C15H19NO2/c1-16-14-7-3-10-9-11(18-2)4-5-12(10)13(14)6-8-15(16)17/h4-5,9,13-14H,3,6-8H2,1-2H3/t13-,14-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory concentration required to inhibit Steroid 5-alpha-reductase type 1 in cultured Hs 68 human foreskin fibroblast cells				Bioorg Med Chem Lett 3: 1157-1162 (1993) Article DOI: 10.1016/S0960-894X(00)80306-6 BindingDB Entry DOI: 10.7270/Q2VD70NP
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50403174 (CHEMBL16027) Show SMILES CN1C2CCc3cc(F)ccc3C2(C)CCC1=O Show InChI InChI=1S/C15H18FNO/c1-15-8-7-14(18)17(2)13(15)6-3-10-9-11(16)4-5-12(10)15/h4-5,9,13H,3,6-8H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory concentration required to inhibit Steroid 5-alpha-reductase type 1 in cultured Hs 68 human foreskin fibroblast cells				Bioorg Med Chem Lett 3: 1157-1162 (1993) Article DOI: 10.1016/S0960-894X(00)80306-6 BindingDB Entry DOI: 10.7270/Q2VD70NP
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50403177 (CHEMBL16152) Show SMILES CN1C(=O)CCC2=C1CCc1cc(F)ccc21 |c:6| Show InChI InChI=1S/C14H14FNO/c1-16-13-6-2-9-8-10(15)3-4-11(9)12(13)5-7-14(16)17/h3-4,8H,2,5-7H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	151	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory concentration required to inhibit Steroid 5-alpha-reductase type 1 in cultured Hs 68 human foreskin fibroblast cells				Bioorg Med Chem Lett 3: 1157-1162 (1993) Article DOI: 10.1016/S0960-894X(00)80306-6 BindingDB Entry DOI: 10.7270/Q2VD70NP
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50044881 (8-Chloro-4-methyl-1,4,5,6-tetrahydro-2H-benzo[f]qu...) Show SMILES CN1C(=O)CCC2=C1CCc1cc(Cl)ccc21 |c:6| Show InChI InChI=1S/C14H14ClNO/c1-16-13-6-2-9-8-10(15)3-4-11(9)12(13)5-7-14(16)17/h3-4,8H,2,5-7H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	174	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory concentration required to inhibit Steroid 5-alpha-reductase type 1 in cultured Hs 68 human foreskin fibroblast cells				Bioorg Med Chem Lett 3: 1157-1162 (1993) Article DOI: 10.1016/S0960-894X(00)80306-6 BindingDB Entry DOI: 10.7270/Q2VD70NP
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50044876 ((4aR,10bR)-4-Methyl-1,4,4a,5,6,10b-hexahydro-2H-be...) Show SMILES CN1[C@@H]2CCc3ccccc3[C@H]2CCC1=O Show InChI InChI=1S/C14H17NO/c1-15-13-8-6-10-4-2-3-5-11(10)12(13)7-9-14(15)16/h2-5,12-13H,6-9H2,1H3/t12-,13-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	562	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory concentration required to inhibit Steroid 5-alpha-reductase type 1 in cultured Hs 68 human foreskin fibroblast cells				Bioorg Med Chem Lett 3: 1157-1162 (1993) Article DOI: 10.1016/S0960-894X(00)80306-6 BindingDB Entry DOI: 10.7270/Q2VD70NP
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50403173 (CHEMBL16248) Show SMILES CN1C(=O)CCC2=C1CCc1ccccc21 |c:6| Show InChI InChI=1S/C14H15NO/c1-15-13-8-6-10-4-2-3-5-11(10)12(13)7-9-14(15)16/h2-5H,6-9H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory concentration required to inhibit Steroid 5-alpha-reductase type 1 in cultured Hs 68 human foreskin fibroblast cells				Bioorg Med Chem Lett 3: 1157-1162 (1993) Article DOI: 10.1016/S0960-894X(00)80306-6 BindingDB Entry DOI: 10.7270/Q2VD70NP
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50403179 (CHEMBL278049) Show SMILES CN1C2CCc3ccccc3C2(C)CCC1=O Show InChI InChI=1S/C15H19NO/c1-15-10-9-14(17)16(2)13(15)8-7-11-5-3-4-6-12(11)15/h3-6,13H,7-10H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory concentration required to inhibit Steroid 5-alpha-reductase type 1 in cultured Hs 68 human foreskin fibroblast cells				Bioorg Med Chem Lett 3: 1157-1162 (1993) Article DOI: 10.1016/S0960-894X(00)80306-6 BindingDB Entry DOI: 10.7270/Q2VD70NP
					More data for this Ligand-Target Pair