Compile Data Set for Download or QSAR

Found 83 hits with Last Name = 'ferrali' and Initial = 'a'   

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))	BDBM50092485 (4-methyl-8-chloro-1,2,5,6-tetrahydro pyrido[1,2-a]...) Show SMILES CC1=C2CCc3cc(Cl)ccc3N2CCC1=O |c:1| Show InChI InChI=1S/C14H14ClNO/c1-9-12-4-2-10-8-11(15)3-5-13(10)16(12)7-6-14(9)17/h3,5,8H,2,4,6-7H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...				J Med Chem 47: 3546-60 (2004) Article DOI: 10.1021/jm031131o BindingDB Entry DOI: 10.7270/Q24J0DKZ
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50149341 (8-Bromo-4-methyl-1,2,5,6-tetrahydro-pyrido[1,2-a]q...) Show SMILES CC1=C2CCc3cc(Br)ccc3N2CCC1=O |c:1| Show InChI InChI=1S/C14H14BrNO/c1-9-12-4-2-10-8-11(15)3-5-13(10)16(12)7-6-14(9)17/h3,5,8H,2,4,6-7H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...				J Med Chem 47: 3546-60 (2004) Article DOI: 10.1021/jm031131o BindingDB Entry DOI: 10.7270/Q24J0DKZ
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50149339 (4-Methyl-8-phenylethynyl-1,2,5,6-tetrahydro-pyrido...) Show SMILES CC1=C2CCc3cc(ccc3N2CCC1=O)C#Cc1ccccc1 |c:1| Show InChI InChI=1S/C22H19NO/c1-16-20-12-10-19-15-18(8-7-17-5-3-2-4-6-17)9-11-21(19)23(20)14-13-22(16)24/h2-6,9,11,15H,10,12-14H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.75	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...				J Med Chem 47: 3546-60 (2004) Article DOI: 10.1021/jm031131o BindingDB Entry DOI: 10.7270/Q24J0DKZ
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50149329 (8-Ethyl-4-methyl-1,2,5,6-tetrahydro-pyrido[1,2-a]q...) Show SMILES CCc1ccc2N3CCC(=O)C(C)=C3CCc2c1 |c:12| Show InChI InChI=1S/C16H19NO/c1-3-12-4-6-15-13(10-12)5-7-14-11(2)16(18)8-9-17(14)15/h4,6,10H,3,5,7-9H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...				J Med Chem 47: 3546-60 (2004) Article DOI: 10.1021/jm031131o BindingDB Entry DOI: 10.7270/Q24J0DKZ
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50149324 (4-Methyl-8-((Z)-styryl)-1,2,5,6-tetrahydro-pyrido[...) Show SMILES CC1=C2CCc3cc(\C=C/c4ccccc4)ccc3N2CCC1=O |c:1| Show InChI InChI=1S/C22H21NO/c1-16-20-12-10-19-15-18(8-7-17-5-3-2-4-6-17)9-11-21(19)23(20)14-13-22(16)24/h2-9,11,15H,10,12-14H2,1H3/b8-7-	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14.2	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...				J Med Chem 47: 3546-60 (2004) Article DOI: 10.1021/jm031131o BindingDB Entry DOI: 10.7270/Q24J0DKZ
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50092492 (4,8-Dimethyl-1,2,5,6-tetrahydro-pyrido[1,2-a]quino...) Show SMILES CC1=C2CCc3cc(C)ccc3N2CCC1=O |c:1| Show InChI InChI=1S/C15H17NO/c1-10-3-5-14-12(9-10)4-6-13-11(2)15(17)7-8-16(13)14/h3,5,9H,4,6-8H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...				J Med Chem 47: 3546-60 (2004) Article DOI: 10.1021/jm031131o BindingDB Entry DOI: 10.7270/Q24J0DKZ
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50025356 (4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10...) Show SMILES CC(C)(C)NC(=O)C1CCC2C3CCC4NC(=O)C=CC4(C)C3CCC12C |c:18| Show InChI InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant steroid 5-alpha-reductase type 2 in stably transfected chinese hamster ovary 1827 cells using [3H]...				J Med Chem 47: 3546-60 (2004) Article DOI: 10.1021/jm031131o BindingDB Entry DOI: 10.7270/Q24J0DKZ
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50149335 (4-Methyl-8-vinyl-1,2,5,6-tetrahydro-pyrido[1,2-a]q...) Show SMILES CC1=C2CCc3cc(C=C)ccc3N2CCC1=O |c:1| Show InChI InChI=1S/C16H17NO/c1-3-12-4-6-15-13(10-12)5-7-14-11(2)16(18)8-9-17(14)15/h3-4,6,10H,1,5,7-9H2,2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21.6	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...				J Med Chem 47: 3546-60 (2004) Article DOI: 10.1021/jm031131o BindingDB Entry DOI: 10.7270/Q24J0DKZ
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50157233 (4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...) Show SMILES CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)Oc1ccccc1C(F)(F)F |c:1| Show InChI InChI=1S/C22H18F3NO3/c1-13-17-8-6-14-12-15(7-9-18(14)26(17)11-10-19(13)27)21(28)29-20-5-3-2-4-16(20)22(23,24)25/h2-5,7,9,12H,6,8,10-11H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Polo Scientifico Università di Firenze Curated by ChEMBL					Assay Description Inhibitory concentration against human steroid 5-alpha-reductase I receptor expressed in CHO 1827 cells				Bioorg Med Chem Lett 15: 145-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.017 BindingDB Entry DOI: 10.7270/Q2ZK5G4N
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50085564 (8-Chloro-1,2,5,6-tetrahydro-pyrido[1,2-a]quinolin-...) Show SMILES Clc1ccc2N3CCC(=O)C=C3CCc2c1 |c:10| Show InChI InChI=1S/C13H12ClNO/c14-10-2-4-13-9(7-10)1-3-11-8-12(16)5-6-15(11)13/h2,4,7-8H,1,3,5-6H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...				J Med Chem 47: 3546-60 (2004) Article DOI: 10.1021/jm031131o BindingDB Entry DOI: 10.7270/Q24J0DKZ
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50149326 (4-Methyl-8-thiophen-2-yl-1,2,5,6-tetrahydro-pyrido...) Show SMILES CC1=C2CCc3cc(ccc3N2CCC1=O)-c1cccs1 |c:1| Show InChI InChI=1S/C18H17NOS/c1-12-15-6-4-13-11-14(18-3-2-10-21-18)5-7-16(13)19(15)9-8-17(12)20/h2-3,5,7,10-11H,4,6,8-9H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...				J Med Chem 47: 3546-60 (2004) Article DOI: 10.1021/jm031131o BindingDB Entry DOI: 10.7270/Q24J0DKZ
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50149325 (4-Methyl-8-(4-trifluoromethyl-benzyloxy)-1,2,5,6-t...) Show SMILES CC1=C2CCc3cc(OCc4ccc(cc4)C(F)(F)F)ccc3N2CCC1=O |c:1| Show InChI InChI=1S/C22H20F3NO2/c1-14-19-8-4-16-12-18(7-9-20(16)26(19)11-10-21(14)27)28-13-15-2-5-17(6-3-15)22(23,24)25/h2-3,5-7,9,12H,4,8,10-11,13H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	83.7	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...				J Med Chem 47: 3546-60 (2004) Article DOI: 10.1021/jm031131o BindingDB Entry DOI: 10.7270/Q24J0DKZ
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50149332 (8-(4-Chloro-benzyloxy)-4-methyl-1,2,5,6-tetrahydro...) Show SMILES CC1=C2CCc3cc(OCc4ccc(Cl)cc4)ccc3N2CCC1=O |c:1| Show InChI InChI=1S/C21H20ClNO2/c1-14-19-8-4-16-12-18(25-13-15-2-5-17(22)6-3-15)7-9-20(16)23(19)11-10-21(14)24/h2-3,5-7,9,12H,4,8,10-11,13H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	92.9	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...				J Med Chem 47: 3546-60 (2004) Article DOI: 10.1021/jm031131o BindingDB Entry DOI: 10.7270/Q24J0DKZ
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50149340 (8-(3-Chloro-benzyloxy)-4-methyl-1,2,5,6-tetrahydro...) Show SMILES CC1=C2CCc3cc(OCc4cccc(Cl)c4)ccc3N2CCC1=O |c:1| Show InChI InChI=1S/C21H20ClNO2/c1-14-19-7-5-16-12-18(25-13-15-3-2-4-17(22)11-15)6-8-20(16)23(19)10-9-21(14)24/h2-4,6,8,11-12H,5,7,9-10,13H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...				J Med Chem 47: 3546-60 (2004) Article DOI: 10.1021/jm031131o BindingDB Entry DOI: 10.7270/Q24J0DKZ
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50157226 (4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...) Show SMILES CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)Oc1ccc(F)cc1 |c:1| Show InChI InChI=1S/C21H18FNO3/c1-13-18-8-2-14-12-15(3-9-19(14)23(18)11-10-20(13)24)21(25)26-17-6-4-16(22)5-7-17/h3-7,9,12H,2,8,10-11H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
Polo Scientifico Università di Firenze Curated by ChEMBL					Assay Description Inhibitory concentration against human steroid 5-alpha-reductase I receptor expressed in CHO 1827 cells				Bioorg Med Chem Lett 15: 145-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.017 BindingDB Entry DOI: 10.7270/Q2ZK5G4N
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50149343 (4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...) Show SMILES CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)OCc1ccccc1 |c:1| Show InChI InChI=1S/C22H21NO3/c1-15-19-9-7-17-13-18(8-10-20(17)23(19)12-11-21(15)24)22(25)26-14-16-5-3-2-4-6-16/h2-6,8,10,13H,7,9,11-12,14H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	96.8	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...				J Med Chem 47: 3546-60 (2004) Article DOI: 10.1021/jm031131o BindingDB Entry DOI: 10.7270/Q24J0DKZ
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50149343 (4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...) Show SMILES CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)OCc1ccccc1 |c:1| Show InChI InChI=1S/C22H21NO3/c1-15-19-9-7-17-13-18(8-10-20(17)23(19)12-11-21(15)24)22(25)26-14-16-5-3-2-4-6-16/h2-6,8,10,13H,7,9,11-12,14H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Polo Scientifico Università di Firenze Curated by ChEMBL					Assay Description Inhibitory concentration against human steroid 5-alpha-reductase I receptor expressed in CHO 1827 cells				Bioorg Med Chem Lett 15: 145-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.017 BindingDB Entry DOI: 10.7270/Q2ZK5G4N
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50149346 (4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...) Show SMILES CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)Oc1ccc(C)cc1 |c:1| Show InChI InChI=1S/C22H21NO3/c1-14-3-7-18(8-4-14)26-22(25)17-6-10-20-16(13-17)5-9-19-15(2)21(24)11-12-23(19)20/h3-4,6-8,10,13H,5,9,11-12H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
Polo Scientifico Università di Firenze Curated by ChEMBL					Assay Description Inhibitory concentration against human steroid 5-alpha-reductase I receptor expressed in CHO 1827 cells				Bioorg Med Chem Lett 15: 145-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.017 BindingDB Entry DOI: 10.7270/Q2ZK5G4N
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50149321 (8-Benzyloxy-4-methyl-1,2,5,6-tetrahydro-pyrido[1,2...) Show SMILES CC1=C2CCc3cc(OCc4ccccc4)ccc3N2CCC1=O |c:1| Show InChI InChI=1S/C21H21NO2/c1-15-19-9-7-17-13-18(24-14-16-5-3-2-4-6-16)8-10-20(17)22(19)12-11-21(15)23/h2-6,8,10,13H,7,9,11-12,14H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	111	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...				J Med Chem 47: 3546-60 (2004) Article DOI: 10.1021/jm031131o BindingDB Entry DOI: 10.7270/Q24J0DKZ
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50157223 (4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...) Show SMILES COc1ccc(OC(=O)c2ccc3N4CCC(=O)C(C)=C4CCc3c2)cc1 |c:19| Show InChI InChI=1S/C22H21NO4/c1-14-19-9-3-15-13-16(4-10-20(15)23(19)12-11-21(14)24)22(25)27-18-7-5-17(26-2)6-8-18/h4-8,10,13H,3,9,11-12H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	116	n/a	n/a	n/a	n/a	n/a	n/a
Polo Scientifico Università di Firenze Curated by ChEMBL					Assay Description Inhibitory concentration against human steroid 5-alpha-reductase I receptor expressed in CHO 1827 cells				Bioorg Med Chem Lett 15: 145-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.017 BindingDB Entry DOI: 10.7270/Q2ZK5G4N
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50149345 (4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...) Show SMILES COC(=O)c1ccc2N3CCC(=O)C(C)=C3CCc2c1 |c:14| Show InChI InChI=1S/C16H17NO3/c1-10-13-5-3-11-9-12(16(19)20-2)4-6-14(11)17(13)8-7-15(10)18/h4,6,9H,3,5,7-8H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	117	n/a	n/a	n/a	n/a	n/a	n/a
Polo Scientifico Università di Firenze Curated by ChEMBL					Assay Description Inhibitory concentration against human steroid 5-alpha-reductase I receptor expressed in CHO 1827 cells				Bioorg Med Chem Lett 15: 145-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.017 BindingDB Entry DOI: 10.7270/Q2ZK5G4N
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50149345 (4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...) Show SMILES COC(=O)c1ccc2N3CCC(=O)C(C)=C3CCc2c1 |c:14| Show InChI InChI=1S/C16H17NO3/c1-10-13-5-3-11-9-12(16(19)20-2)4-6-14(11)17(13)8-7-15(10)18/h4,6,9H,3,5,7-8H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	117	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...				J Med Chem 47: 3546-60 (2004) Article DOI: 10.1021/jm031131o BindingDB Entry DOI: 10.7270/Q24J0DKZ
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50157226 (4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...) Show SMILES CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)Oc1ccc(F)cc1 |c:1| Show InChI InChI=1S/C21H18FNO3/c1-13-18-8-2-14-12-15(3-9-19(14)23(18)11-10-20(13)24)21(25)26-17-6-4-16(22)5-7-17/h3-7,9,12H,2,8,10-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	119	n/a	n/a	n/a	n/a	n/a	n/a
Polo Scientifico Università di Firenze Curated by ChEMBL					Assay Description Inhibitory concentration against human steroid 5-alpha-reductase 2 receptor expressed in CHO 1829 cells				Bioorg Med Chem Lett 15: 145-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.017 BindingDB Entry DOI: 10.7270/Q2ZK5G4N
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50149330 (4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...) Show SMILES COC(=O)c1ccc(OC(=O)c2ccc3N4CCC(=O)C(C)=C4CCc3c2)cc1 |c:21| Show InChI InChI=1S/C23H21NO5/c1-14-19-9-5-16-13-17(6-10-20(16)24(19)12-11-21(14)25)23(27)29-18-7-3-15(4-8-18)22(26)28-2/h3-4,6-8,10,13H,5,9,11-12H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	121	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...				J Med Chem 47: 3546-60 (2004) Article DOI: 10.1021/jm031131o BindingDB Entry DOI: 10.7270/Q24J0DKZ
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50149344 (4-Methyl-8-phenyl-1,2,5,6-tetrahydro-pyrido[1,2-a]...) Show SMILES CC1=C2CCc3cc(ccc3N2CCC1=O)-c1ccccc1 |c:1| Show InChI InChI=1S/C20H19NO/c1-14-18-9-8-17-13-16(15-5-3-2-4-6-15)7-10-19(17)21(18)12-11-20(14)22/h2-7,10,13H,8-9,11-12H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	128	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...				J Med Chem 47: 3546-60 (2004) Article DOI: 10.1021/jm031131o BindingDB Entry DOI: 10.7270/Q24J0DKZ
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50149330 (4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...) Show SMILES COC(=O)c1ccc(OC(=O)c2ccc3N4CCC(=O)C(C)=C4CCc3c2)cc1 |c:21| Show InChI InChI=1S/C23H21NO5/c1-14-19-9-5-16-13-17(6-10-20(16)24(19)12-11-21(14)25)23(27)29-18-7-3-15(4-8-18)22(26)28-2/h3-4,6-8,10,13H,5,9,11-12H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	129	n/a	n/a	n/a	n/a	n/a	n/a
Polo Scientifico Università di Firenze Curated by ChEMBL					Assay Description Inhibitory concentration against human steroid 5-alpha-reductase I receptor expressed in CHO 1827 cells				Bioorg Med Chem Lett 15: 145-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.017 BindingDB Entry DOI: 10.7270/Q2ZK5G4N
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50149333 (8-Furan-2-yl-4-methyl-1,2,5,6-tetrahydro-pyrido[1,...) Show SMILES CC1=C2CCc3cc(ccc3N2CCC1=O)-c1ccco1 |c:1| Show InChI InChI=1S/C18H17NO2/c1-12-15-6-4-13-11-14(18-3-2-10-21-18)5-7-16(13)19(15)9-8-17(12)20/h2-3,5,7,10-11H,4,6,8-9H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	133	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...				J Med Chem 47: 3546-60 (2004) Article DOI: 10.1021/jm031131o BindingDB Entry DOI: 10.7270/Q24J0DKZ
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50157219 (4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...) Show SMILES CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)Oc1cccc(F)c1 |c:1| Show InChI InChI=1S/C21H18FNO3/c1-13-18-7-5-14-11-15(6-8-19(14)23(18)10-9-20(13)24)21(25)26-17-4-2-3-16(22)12-17/h2-4,6,8,11-12H,5,7,9-10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	134	n/a	n/a	n/a	n/a	n/a	n/a
Polo Scientifico Università di Firenze Curated by ChEMBL					Assay Description Inhibitory concentration against human steroid 5-alpha-reductase 2 receptor expressed in CHO 1829 cells				Bioorg Med Chem Lett 15: 145-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.017 BindingDB Entry DOI: 10.7270/Q2ZK5G4N
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50157221 (4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...) Show SMILES CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)Oc1ccccc1F |c:1| Show InChI InChI=1S/C21H18FNO3/c1-13-17-8-6-14-12-15(7-9-18(14)23(17)11-10-19(13)24)21(25)26-20-5-3-2-4-16(20)22/h2-5,7,9,12H,6,8,10-11H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	138	n/a	n/a	n/a	n/a	n/a	n/a
Polo Scientifico Università di Firenze Curated by ChEMBL					Assay Description Inhibitory concentration against human steroid 5-alpha-reductase I receptor expressed in CHO 1827 cells				Bioorg Med Chem Lett 15: 145-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.017 BindingDB Entry DOI: 10.7270/Q2ZK5G4N
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50149319 (8-(2,4-Bis-trifluoromethyl-benzyloxy)-4-methyl-1,2...) Show SMILES CC1=C2CCc3cc(OCc4ccc(cc4C(F)(F)F)C(F)(F)F)ccc3N2CCC1=O |c:1| Show InChI InChI=1S/C23H19F6NO2/c1-13-19-6-3-14-10-17(5-7-20(14)30(19)9-8-21(13)31)32-12-15-2-4-16(22(24,25)26)11-18(15)23(27,28)29/h2,4-5,7,10-11H,3,6,8-9,12H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	149	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...				J Med Chem 47: 3546-60 (2004) Article DOI: 10.1021/jm031131o BindingDB Entry DOI: 10.7270/Q24J0DKZ
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50157229 (4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...) Show SMILES CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)Oc1ccc(cc1)C(F)(F)F |c:1| Show InChI InChI=1S/C22H18F3NO3/c1-13-18-8-2-14-12-15(3-9-19(14)26(18)11-10-20(13)27)21(28)29-17-6-4-16(5-7-17)22(23,24)25/h3-7,9,12H,2,8,10-11H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	149	n/a	n/a	n/a	n/a	n/a	n/a
Polo Scientifico Università di Firenze Curated by ChEMBL					Assay Description Inhibitory concentration against human steroid 5-alpha-reductase I receptor expressed in CHO 1827 cells				Bioorg Med Chem Lett 15: 145-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.017 BindingDB Entry DOI: 10.7270/Q2ZK5G4N
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50157219 (4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...) Show SMILES CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)Oc1cccc(F)c1 |c:1| Show InChI InChI=1S/C21H18FNO3/c1-13-18-7-5-14-11-15(6-8-19(14)23(18)10-9-20(13)24)21(25)26-17-4-2-3-16(22)12-17/h2-4,6,8,11-12H,5,7,9-10H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Polo Scientifico Università di Firenze Curated by ChEMBL					Assay Description Inhibitory concentration against human steroid 5-alpha-reductase I receptor expressed in CHO 1827 cells				Bioorg Med Chem Lett 15: 145-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.017 BindingDB Entry DOI: 10.7270/Q2ZK5G4N
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50157221 (4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...) Show SMILES CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)Oc1ccccc1F |c:1| Show InChI InChI=1S/C21H18FNO3/c1-13-17-8-6-14-12-15(7-9-18(14)23(17)11-10-19(13)24)21(25)26-20-5-3-2-4-16(20)22/h2-5,7,9,12H,6,8,10-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	166	n/a	n/a	n/a	n/a	n/a	n/a
Polo Scientifico Università di Firenze Curated by ChEMBL					Assay Description Inhibitory concentration against human steroid 5-alpha-reductase 2 receptor expressed in CHO 1829 cells				Bioorg Med Chem Lett 15: 145-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.017 BindingDB Entry DOI: 10.7270/Q2ZK5G4N
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50149322 (4-Methyl-8-pyridin-3-yl-1,2,5,6-tetrahydro-pyrido[...) Show SMILES CC1=C2CCc3cc(ccc3N2CCC1=O)-c1cccnc1 |c:1| Show InChI InChI=1S/C19H18N2O/c1-13-17-6-5-15-11-14(16-3-2-9-20-12-16)4-7-18(15)21(17)10-8-19(13)22/h2-4,7,9,11-12H,5-6,8,10H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...				J Med Chem 47: 3546-60 (2004) Article DOI: 10.1021/jm031131o BindingDB Entry DOI: 10.7270/Q24J0DKZ
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50149338 (8-Methoxy-4-methyl-1,2,5,6-tetrahydro-pyrido[1,2-a...) Show SMILES COc1ccc2N3CCC(=O)C(C)=C3CCc2c1 |c:12| Show InChI InChI=1S/C15H17NO2/c1-10-13-5-3-11-9-12(18-2)4-6-14(11)16(13)8-7-15(10)17/h4,6,9H,3,5,7-8H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	178	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...				J Med Chem 47: 3546-60 (2004) Article DOI: 10.1021/jm031131o BindingDB Entry DOI: 10.7270/Q24J0DKZ
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50092502 (4-Methyl-1,2,5,6-tetrahydro-pyrido[1,2-a]quinolin-...) Show SMILES CC1=C2CCc3ccccc3N2CCC1=O |c:1| Show InChI InChI=1S/C14H15NO/c1-10-12-7-6-11-4-2-3-5-13(11)15(12)9-8-14(10)16/h2-5H,6-9H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	185	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...				J Med Chem 47: 3546-60 (2004) Article DOI: 10.1021/jm031131o BindingDB Entry DOI: 10.7270/Q24J0DKZ
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50149334 (8-(2-Chloro-benzyloxy)-4-methyl-1,2,5,6-tetrahydro...) Show SMILES CC1=C2CCc3cc(OCc4ccccc4Cl)ccc3N2CCC1=O |c:1| Show InChI InChI=1S/C21H20ClNO2/c1-14-19-8-6-15-12-17(25-13-16-4-2-3-5-18(16)22)7-9-20(15)23(19)11-10-21(14)24/h2-5,7,9,12H,6,8,10-11,13H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	194	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...				J Med Chem 47: 3546-60 (2004) Article DOI: 10.1021/jm031131o BindingDB Entry DOI: 10.7270/Q24J0DKZ
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50157231 (4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...) Show SMILES CCOc1ccc(OC(=O)c2ccc3N4CCC(=O)C(C)=C4CCc3c2)cc1 |c:20| Show InChI InChI=1S/C23H23NO4/c1-3-27-18-6-8-19(9-7-18)28-23(26)17-5-11-21-16(14-17)4-10-20-15(2)22(25)12-13-24(20)21/h5-9,11,14H,3-4,10,12-13H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	209	n/a	n/a	n/a	n/a	n/a	n/a
Polo Scientifico Università di Firenze Curated by ChEMBL					Assay Description Inhibitory concentration against human steroid 5-alpha-reductase I receptor expressed in CHO 1827 cells				Bioorg Med Chem Lett 15: 145-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.017 BindingDB Entry DOI: 10.7270/Q2ZK5G4N
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50149342 (4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...) Show SMILES CCOC(=O)c1ccc2N3CCC(=O)C(C)=C3CCc2c1 |c:15| Show InChI InChI=1S/C17H19NO3/c1-3-21-17(20)13-5-7-15-12(10-13)4-6-14-11(2)16(19)8-9-18(14)15/h5,7,10H,3-4,6,8-9H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	221	n/a	n/a	n/a	n/a	n/a	n/a
Polo Scientifico Università di Firenze Curated by ChEMBL					Assay Description Inhibitory concentration against human steroid 5-alpha-reductase I receptor expressed in CHO 1827 cells				Bioorg Med Chem Lett 15: 145-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.017 BindingDB Entry DOI: 10.7270/Q2ZK5G4N
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50149342 (4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...) Show SMILES CCOC(=O)c1ccc2N3CCC(=O)C(C)=C3CCc2c1 |c:15| Show InChI InChI=1S/C17H19NO3/c1-3-21-17(20)13-5-7-15-12(10-13)4-6-14-11(2)16(19)8-9-18(14)15/h5,7,10H,3-4,6,8-9H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	221	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...				J Med Chem 47: 3546-60 (2004) Article DOI: 10.1021/jm031131o BindingDB Entry DOI: 10.7270/Q24J0DKZ
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50157224 (4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...) Show SMILES CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)Oc1ccc(cc1)C(=O)NC(C)(C)C |c:1| Show InChI InChI=1S/C26H28N2O4/c1-16-21-11-7-18-15-19(8-12-22(18)28(21)14-13-23(16)29)25(31)32-20-9-5-17(6-10-20)24(30)27-26(2,3)4/h5-6,8-10,12,15H,7,11,13-14H2,1-4H3,(H,27,30)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	225	n/a	n/a	n/a	n/a	n/a	n/a
Polo Scientifico Università di Firenze Curated by ChEMBL					Assay Description Inhibitory concentration against human steroid 5-alpha-reductase I receptor expressed in CHO 1827 cells				Bioorg Med Chem Lett 15: 145-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.017 BindingDB Entry DOI: 10.7270/Q2ZK5G4N
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50157220 (4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...) Show SMILES CC(=O)Nc1ccc(OC(=O)c2ccc3N4CCC(=O)C(C)=C4CCc3c2)cc1 |c:21| Show InChI InChI=1S/C23H22N2O4/c1-14-20-9-3-16-13-17(4-10-21(16)25(20)12-11-22(14)27)23(28)29-19-7-5-18(6-8-19)24-15(2)26/h4-8,10,13H,3,9,11-12H2,1-2H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	255	n/a	n/a	n/a	n/a	n/a	n/a
Polo Scientifico Università di Firenze Curated by ChEMBL					Assay Description Inhibitory concentration against human steroid 5-alpha-reductase 2 receptor expressed in CHO 1829 cells				Bioorg Med Chem Lett 15: 145-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.017 BindingDB Entry DOI: 10.7270/Q2ZK5G4N
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50157218 (4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...) Show SMILES CCCNC(=O)c1ccc(OC(=O)c2ccc3N4CCC(=O)C(C)=C4CCc3c2)cc1 |c:23| Show InChI InChI=1S/C25H26N2O4/c1-3-13-26-24(29)17-4-8-20(9-5-17)31-25(30)19-7-11-22-18(15-19)6-10-21-16(2)23(28)12-14-27(21)22/h4-5,7-9,11,15H,3,6,10,12-14H2,1-2H3,(H,26,29)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	268	n/a	n/a	n/a	n/a	n/a	n/a
Polo Scientifico Università di Firenze Curated by ChEMBL					Assay Description Inhibitory concentration against human steroid 5-alpha-reductase I receptor expressed in CHO 1827 cells				Bioorg Med Chem Lett 15: 145-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.017 BindingDB Entry DOI: 10.7270/Q2ZK5G4N
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50157230 (4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...) Show SMILES CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)Oc1cccc(c1)C(F)(F)F |c:1| Show InChI InChI=1S/C22H18F3NO3/c1-13-18-7-5-14-11-15(6-8-19(14)26(18)10-9-20(13)27)21(28)29-17-4-2-3-16(12-17)22(23,24)25/h2-4,6,8,11-12H,5,7,9-10H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	271	n/a	n/a	n/a	n/a	n/a	n/a
Polo Scientifico Università di Firenze Curated by ChEMBL					Assay Description Inhibitory concentration against human steroid 5-alpha-reductase I receptor expressed in CHO 1827 cells				Bioorg Med Chem Lett 15: 145-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.017 BindingDB Entry DOI: 10.7270/Q2ZK5G4N
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50157232 (4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...) Show SMILES CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)Oc1ccc(N)cc1 |c:1| Show InChI InChI=1S/C21H20N2O3/c1-13-18-8-2-14-12-15(3-9-19(14)23(18)11-10-20(13)24)21(25)26-17-6-4-16(22)5-7-17/h3-7,9,12H,2,8,10-11,22H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	272	n/a	n/a	n/a	n/a	n/a	n/a
Polo Scientifico Università di Firenze Curated by ChEMBL					Assay Description Inhibitory concentration against human steroid 5-alpha-reductase I receptor expressed in CHO 1827 cells				Bioorg Med Chem Lett 15: 145-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.017 BindingDB Entry DOI: 10.7270/Q2ZK5G4N
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50149331 (4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...) Show SMILES CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)Oc1ccccc1 |c:1| Show InChI InChI=1S/C21H19NO3/c1-14-18-9-7-15-13-16(21(24)25-17-5-3-2-4-6-17)8-10-19(15)22(18)12-11-20(14)23/h2-6,8,10,13H,7,9,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	295	n/a	n/a	n/a	n/a	n/a	n/a
Polo Scientifico Università di Firenze Curated by ChEMBL					Assay Description Inhibitory concentration against human steroid 5-alpha-reductase 2 receptor expressed in CHO 1829 cells				Bioorg Med Chem Lett 15: 145-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.017 BindingDB Entry DOI: 10.7270/Q2ZK5G4N
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50072191 (1,2,5,6-Tetrahydro-pyrido[1,2-a]quinolin-3-one | 1...) Show SMILES O=C1CCN2C(CCc3ccccc23)=C1 |c:15| Show InChI InChI=1S/C13H13NO/c15-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)14/h1-4,9H,5-8H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	298	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...				J Med Chem 47: 3546-60 (2004) Article DOI: 10.1021/jm031131o BindingDB Entry DOI: 10.7270/Q24J0DKZ
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50157222 (4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...) Show SMILES CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)Oc1ccc(cc1)C(N)=O |c:1| Show InChI InChI=1S/C22H20N2O4/c1-13-18-8-4-15-12-16(5-9-19(15)24(18)11-10-20(13)25)22(27)28-17-6-2-14(3-7-17)21(23)26/h2-3,5-7,9,12H,4,8,10-11H2,1H3,(H2,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	308	n/a	n/a	n/a	n/a	n/a	n/a
Polo Scientifico Università di Firenze Curated by ChEMBL					Assay Description Inhibitory concentration against human steroid 5-alpha-reductase 2 receptor expressed in CHO 1829 cells				Bioorg Med Chem Lett 15: 145-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.017 BindingDB Entry DOI: 10.7270/Q2ZK5G4N
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50157222 (4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...) Show SMILES CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)Oc1ccc(cc1)C(N)=O |c:1| Show InChI InChI=1S/C22H20N2O4/c1-13-18-8-4-15-12-16(5-9-19(15)24(18)11-10-20(13)25)22(27)28-17-6-2-14(3-7-17)21(23)26/h2-3,5-7,9,12H,4,8,10-11H2,1H3,(H2,23,26)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	361	n/a	n/a	n/a	n/a	n/a	n/a
Polo Scientifico Università di Firenze Curated by ChEMBL					Assay Description Inhibitory concentration against human steroid 5-alpha-reductase I receptor expressed in CHO 1827 cells				Bioorg Med Chem Lett 15: 145-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.017 BindingDB Entry DOI: 10.7270/Q2ZK5G4N
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50157233 (4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...) Show SMILES CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)Oc1ccccc1C(F)(F)F |c:1| Show InChI InChI=1S/C22H18F3NO3/c1-13-17-8-6-14-12-15(7-9-18(14)26(17)11-10-19(13)27)21(28)29-20-5-3-2-4-16(20)22(23,24)25/h2-5,7,9,12H,6,8,10-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	368	n/a	n/a	n/a	n/a	n/a	n/a
Polo Scientifico Università di Firenze Curated by ChEMBL					Assay Description Inhibitory concentration against human steroid 5-alpha-reductase 2 receptor expressed in CHO 1829 cells				Bioorg Med Chem Lett 15: 145-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.017 BindingDB Entry DOI: 10.7270/Q2ZK5G4N
					More data for this Ligand-Target Pair

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