Compile Data Set for Download or QSAR

Found 33 hits Enz. Inhib. hit(s) with all data for entry = 50041220   

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 2 (Homo sapiens (Human))	BDBM50180894 (4-(4-Phenoxy-benzoyl)-benzoic acid | 4-(4-phenoxyb...) Show SMILES OC(=O)c1ccc(cc1)C(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C20H14O4/c21-19(14-6-8-16(9-7-14)20(22)23)15-10-12-18(13-11-15)24-17-4-2-1-3-5-17/h1-13H,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition constant against recombinant human Steroid 5-alpha-reductase type 2 expressed in CHO cells				J Med Chem 38: 13-5 (1995) BindingDB Entry DOI: 10.7270/Q2D50P5K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50407305 (CHEMBL36772) Show SMILES COc1cc2cc(C(O)=O)n(C)c2cc1OCc1ccccc1 Show InChI InChI=1S/C18H17NO4/c1-19-14-10-17(23-11-12-6-4-3-5-7-12)16(22-2)9-13(14)8-15(19)18(20)21/h3-10H,11H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition constant against recombinant human Steroid 5-alpha-reductase type 2 expressed in CHO cells				J Med Chem 38: 13-5 (1995) BindingDB Entry DOI: 10.7270/Q2D50P5K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50057467 (4-[4-(4-Methyl-benzoyl)-benzoyl]-benzoic acid | CH...) Show SMILES Cc1ccc(cc1)C(=O)c1ccc(cc1)C(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C22H16O4/c1-14-2-4-15(5-3-14)20(23)16-6-8-17(9-7-16)21(24)18-10-12-19(13-11-18)22(25)26/h2-13H,1H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition constant against recombinant human Steroid 5-alpha-reductase type 2 expressed in CHO cells				J Med Chem 38: 13-5 (1995) BindingDB Entry DOI: 10.7270/Q2D50P5K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50009101 (4-Benzyloxy-1H-indole-2-carboxylic acid | CHEMBL23...) Show SMILES OC(=O)c1cc2c(OCc3ccccc3)cccc2[nH]1 Show InChI InChI=1S/C16H13NO3/c18-16(19)14-9-12-13(17-14)7-4-8-15(12)20-10-11-5-2-1-3-6-11/h1-9,17H,10H2,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition constant against recombinant human Steroid 5-alpha-reductase type 2 expressed in CHO cells				J Med Chem 38: 13-5 (1995) BindingDB Entry DOI: 10.7270/Q2D50P5K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50407304 (CHEMBL289822) Show SMILES Cc1ccc(Cc2ccc(cc2)C(=O)c2ccc(cc2)C(O)=O)cc1 Show InChI InChI=1S/C22H18O3/c1-15-2-4-16(5-3-15)14-17-6-8-18(9-7-17)21(23)19-10-12-20(13-11-19)22(24)25/h2-13H,14H2,1H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition constant against recombinant human Steroid 5-alpha-reductase type 2 expressed in CHO cells				J Med Chem 38: 13-5 (1995) BindingDB Entry DOI: 10.7270/Q2D50P5K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50407307 (CHEMBL285651) Show SMILES OC(=O)c1ccc(cc1)C(=O)c1ccc(Oc2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C20H13NO6/c22-19(13-1-3-15(4-2-13)20(23)24)14-5-9-17(10-6-14)27-18-11-7-16(8-12-18)21(25)26/h1-12H,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition constant against recombinant human Steroid 5-alpha-reductase type 2 expressed in CHO cells				J Med Chem 38: 13-5 (1995) BindingDB Entry DOI: 10.7270/Q2D50P5K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50407316 (CHEMBL286372) Show SMILES OC(=O)c1ccc(cc1)C(=O)c1ccc(cc1)C(=O)c1ccc(O)cc1 Show InChI InChI=1S/C21H14O5/c22-18-11-9-16(10-12-18)20(24)14-3-1-13(2-4-14)19(23)15-5-7-17(8-6-15)21(25)26/h1-12,22H,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition constant against recombinant human Steroid 5-alpha-reductase type 2 expressed in CHO cells				J Med Chem 38: 13-5 (1995) BindingDB Entry DOI: 10.7270/Q2D50P5K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50407308 (CHEMBL35176) Show SMILES OC(=O)c1ccc(cc1)C(=O)c1ccc(cc1)C(=O)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H13F3O4/c23-22(24,25)18-11-9-16(10-12-18)20(27)14-3-1-13(2-4-14)19(26)15-5-7-17(8-6-15)21(28)29/h1-12H,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition constant against recombinant human Steroid 5-alpha-reductase type 2 expressed in CHO cells				J Med Chem 38: 13-5 (1995) BindingDB Entry DOI: 10.7270/Q2D50P5K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50407303 (CHEMBL36688) Show SMILES OC(=O)c1ccc(cc1)C(=O)c1ccc(Cc2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C22H15F3O3/c23-22(24,25)19-11-3-15(4-12-19)13-14-1-5-16(6-2-14)20(26)17-7-9-18(10-8-17)21(27)28/h1-12H,13H2,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition constant against recombinant human Steroid 5-alpha-reductase type 2 expressed in CHO cells				J Med Chem 38: 13-5 (1995) BindingDB Entry DOI: 10.7270/Q2D50P5K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50407310 (CHEMBL37880) Show SMILES COc1cc2cc([nH]c2cc1OCc1ccccc1)C(O)=O Show InChI InChI=1S/C17H15NO4/c1-21-15-8-12-7-14(17(19)20)18-13(12)9-16(15)22-10-11-5-3-2-4-6-11/h2-9,18H,10H2,1H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition constant against recombinant human Steroid 5-alpha-reductase type 2 expressed in CHO cells				J Med Chem 38: 13-5 (1995) BindingDB Entry DOI: 10.7270/Q2D50P5K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50407311 (CHEMBL34847) Show SMILES OC(=O)c1ccc(cc1)C(=O)c1ccc(cc1)C(=O)C1CCCCC1 Show InChI InChI=1S/C21H20O4/c22-19(14-4-2-1-3-5-14)15-6-8-16(9-7-15)20(23)17-10-12-18(13-11-17)21(24)25/h6-14H,1-5H2,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition constant against recombinant human Steroid 5-alpha-reductase type 2 expressed in CHO cells				J Med Chem 38: 13-5 (1995) BindingDB Entry DOI: 10.7270/Q2D50P5K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50407320 (CHEMBL35884) Show SMILES OC(=O)c1ccc(Cc2ccc(Oc3ccccc3)cc2)cc1 Show InChI InChI=1S/C20H16O3/c21-20(22)17-10-6-15(7-11-17)14-16-8-12-19(13-9-16)23-18-4-2-1-3-5-18/h1-13H,14H2,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition constant against recombinant human Steroid 5-alpha-reductase type 2 expressed in CHO cells				J Med Chem 38: 13-5 (1995) BindingDB Entry DOI: 10.7270/Q2D50P5K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50407323 (CHEMBL37091) Show SMILES OC(=O)c1ccc(cc1)C(=O)c1ccc(cc1)C(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C21H12Cl2O4/c22-16-9-10-17(18(23)11-16)20(25)14-3-1-12(2-4-14)19(24)13-5-7-15(8-6-13)21(26)27/h1-11H,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition constant against recombinant human Steroid 5-alpha-reductase type 2 expressed in CHO cells				J Med Chem 38: 13-5 (1995) BindingDB Entry DOI: 10.7270/Q2D50P5K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50407313 (CHEMBL34924) Show SMILES OC(=O)c1ccc(cc1)C(=O)c1ccc(cc1)C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C21H12Cl2O4/c22-17-10-9-16(11-18(17)23)20(25)14-3-1-12(2-4-14)19(24)13-5-7-15(8-6-13)21(26)27/h1-11H,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition constant against recombinant human Steroid 5-alpha-reductase type 2 expressed in CHO cells				J Med Chem 38: 13-5 (1995) BindingDB Entry DOI: 10.7270/Q2D50P5K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50407324 (CHEMBL287996) Show SMILES OC(=O)c1ccc(cc1)C(=O)c1ccc(cc1)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H13ClO4/c22-18-11-9-16(10-12-18)20(24)14-3-1-13(2-4-14)19(23)15-5-7-17(8-6-15)21(25)26/h1-12H,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition constant against recombinant human Steroid 5-alpha-reductase type 2 expressed in CHO cells				J Med Chem 38: 13-5 (1995) BindingDB Entry DOI: 10.7270/Q2D50P5K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50407317 (CHEMBL36022) Show SMILES OC(=O)c1ccc(cc1)C(=O)c1ccc(cc1)C(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C22H13F3O4/c23-22(24,25)18-3-1-2-17(12-18)20(27)15-6-4-13(5-7-15)19(26)14-8-10-16(11-9-14)21(28)29/h1-12H,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition constant against recombinant human Steroid 5-alpha-reductase type 2 expressed in CHO cells				J Med Chem 38: 13-5 (1995) BindingDB Entry DOI: 10.7270/Q2D50P5K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50057498 (5-Benzyloxy-1H-indole-2-carboxylic acid | CHEMBL24...) Show SMILES OC(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1 Show InChI InChI=1S/C16H13NO3/c18-16(19)15-9-12-8-13(6-7-14(12)17-15)20-10-11-4-2-1-3-5-11/h1-9,17H,10H2,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition constant against recombinant human Steroid 5-alpha-reductase type 2 expressed in CHO cells				J Med Chem 38: 13-5 (1995) BindingDB Entry DOI: 10.7270/Q2D50P5K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50407321 (CHEMBL264757) Show SMILES OC(=O)c1ccc(cc1)C(=O)c1ccc(cc1)C(=O)Cc1ccccc1 Show InChI InChI=1S/C22H16O4/c23-20(14-15-4-2-1-3-5-15)16-6-8-17(9-7-16)21(24)18-10-12-19(13-11-18)22(25)26/h1-13H,14H2,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition constant against recombinant human Steroid 5-alpha-reductase type 2 expressed in CHO cells				J Med Chem 38: 13-5 (1995) BindingDB Entry DOI: 10.7270/Q2D50P5K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50407315 (CHEMBL37660) Show SMILES OC(=O)c1ccc(cc1)C(=O)c1ccc(cc1)C(=O)c1ccccc1 Show InChI InChI=1S/C21H14O4/c22-19(14-4-2-1-3-5-14)15-6-8-16(9-7-15)20(23)17-10-12-18(13-11-17)21(24)25/h1-13H,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition constant against recombinant human Steroid 5-alpha-reductase type 2 expressed in CHO cells				J Med Chem 38: 13-5 (1995) BindingDB Entry DOI: 10.7270/Q2D50P5K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50407322 (CHEMBL37254) Show SMILES OC(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)Cc1ccccc1 Show InChI InChI=1S/C21H16O3/c22-20(14-15-4-2-1-3-5-15)18-10-6-16(7-11-18)17-8-12-19(13-9-17)21(23)24/h1-13H,14H2,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition constant against recombinant human Steroid 5-alpha-reductase type 2 expressed in CHO cells				J Med Chem 38: 13-5 (1995) BindingDB Entry DOI: 10.7270/Q2D50P5K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50407312 (CHEMBL286363) Show SMILES OC(c1ccc(Oc2ccccc2)cc1)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C20H16O4/c21-19(14-6-8-16(9-7-14)20(22)23)15-10-12-18(13-11-15)24-17-4-2-1-3-5-17/h1-13,19,21H,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition constant against recombinant human Steroid 5-alpha-reductase type 2 expressed in CHO cells				J Med Chem 38: 13-5 (1995) BindingDB Entry DOI: 10.7270/Q2D50P5K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50407314 (CHEMBL37348) Show SMILES OC(=O)c1ccc(cc1)C(=O)c1ccc(cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C20H12Cl2O3/c21-16-9-10-17(18(22)11-16)12-1-3-13(4-2-12)19(23)14-5-7-15(8-6-14)20(24)25/h1-11H,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition constant against recombinant human Steroid 5-alpha-reductase type 2 expressed in CHO cells				J Med Chem 38: 13-5 (1995) BindingDB Entry DOI: 10.7270/Q2D50P5K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50407319 (CHEMBL431904) Show SMILES OC(=O)c1ccc(cc1)C(=O)c1ccc(cc1)C(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C21H13NO6/c23-19(15-5-7-17(8-6-15)21(25)26)13-1-3-14(4-2-13)20(24)16-9-11-18(12-10-16)22(27)28/h1-12H,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition constant against recombinant human Steroid 5-alpha-reductase type 2 expressed in CHO cells				J Med Chem 38: 13-5 (1995) BindingDB Entry DOI: 10.7270/Q2D50P5K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50407306 (CHEMBL36441) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)c1ccc(cc1)C(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C25H22O4/c1-25(2,3)21-14-12-19(13-15-21)23(27)17-6-4-16(5-7-17)22(26)18-8-10-20(11-9-18)24(28)29/h4-15H,1-3H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition constant against recombinant human Steroid 5-alpha-reductase type 2 expressed in CHO cells				J Med Chem 38: 13-5 (1995) BindingDB Entry DOI: 10.7270/Q2D50P5K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50407302 (CHEMBL36832) Show SMILES OC(=O)c1ccc(cc1)C(=O)c1ccc(cc1)C(=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C22H14O6/c23-20(14-5-7-16(8-6-14)22(25)26)13-1-3-15(4-2-13)21(24)17-9-10-18-19(11-17)28-12-27-18/h1-11H,12H2,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition constant against recombinant human Steroid 5-alpha-reductase type 2 expressed in CHO cells				J Med Chem 38: 13-5 (1995) BindingDB Entry DOI: 10.7270/Q2D50P5K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50004955 (1H-Indole-2-carboxylic acid | CHEMBL278390 | Indol...) Show SMILES OC(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition constant against recombinant human Steroid 5-alpha-reductase type 2 expressed in CHO cells				J Med Chem 38: 13-5 (1995) BindingDB Entry DOI: 10.7270/Q2D50P5K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50407309 (CHEMBL37725) Show SMILES Cn1c(cc2cc(OCc3ccccc3)ccc12)C(O)=O Show InChI InChI=1S/C17H15NO3/c1-18-15-8-7-14(9-13(15)10-16(18)17(19)20)21-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition constant against recombinant human Steroid 5-alpha-reductase type 2 expressed in CHO cells				J Med Chem 38: 13-5 (1995) BindingDB Entry DOI: 10.7270/Q2D50P5K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50407310 (CHEMBL37880) Show SMILES COc1cc2cc([nH]c2cc1OCc1ccccc1)C(O)=O Show InChI InChI=1S/C17H15NO4/c1-21-15-8-12-7-14(17(19)20)18-13(12)9-16(15)22-10-11-5-3-2-4-6-11/h2-9,18H,10H2,1H3,(H,19,20)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Apparent inhibition constant against recombinant human Steroid 5-alpha-reductase type I expressed in CHO cells				J Med Chem 38: 13-5 (1995) BindingDB Entry DOI: 10.7270/Q2D50P5K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50407305 (CHEMBL36772) Show SMILES COc1cc2cc(C(O)=O)n(C)c2cc1OCc1ccccc1 Show InChI InChI=1S/C18H17NO4/c1-19-14-10-17(23-11-12-6-4-3-5-7-12)16(22-2)9-13(14)8-15(19)18(20)21/h3-10H,11H2,1-2H3,(H,20,21)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Apparent inhibition constant against recombinant human Steroid 5-alpha-reductase type I expressed in CHO cells				J Med Chem 38: 13-5 (1995) BindingDB Entry DOI: 10.7270/Q2D50P5K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50407318 (CHEMBL35997) Show SMILES OC(=O)c1ccc(cc1)C(=O)c1ccc(cc1)C(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C22H14O6/c23-19(15-5-9-17(10-6-15)21(25)26)13-1-2-14(4-3-13)20(24)16-7-11-18(12-8-16)22(27)28/h1-12H,(H,25,26)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition constant against recombinant human Steroid 5-alpha-reductase type 2 expressed in CHO cells				J Med Chem 38: 13-5 (1995) BindingDB Entry DOI: 10.7270/Q2D50P5K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50009101 (4-Benzyloxy-1H-indole-2-carboxylic acid | CHEMBL23...) Show SMILES OC(=O)c1cc2c(OCc3ccccc3)cccc2[nH]1 Show InChI InChI=1S/C16H13NO3/c18-16(19)14-9-12-13(17-14)7-4-8-15(12)20-10-11-5-2-1-3-6-11/h1-9,17H,10H2,(H,18,19)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Apparent inhibition constant against recombinant human Steroid 5-alpha-reductase type I expressed in CHO cells				J Med Chem 38: 13-5 (1995) BindingDB Entry DOI: 10.7270/Q2D50P5K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50057498 (5-Benzyloxy-1H-indole-2-carboxylic acid | CHEMBL24...) Show SMILES OC(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1 Show InChI InChI=1S/C16H13NO3/c18-16(19)15-9-12-8-13(6-7-14(12)17-15)20-10-11-4-2-1-3-5-11/h1-9,17H,10H2,(H,18,19)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Apparent inhibition constant against recombinant human Steroid 5-alpha-reductase type I expressed in CHO cells				J Med Chem 38: 13-5 (1995) BindingDB Entry DOI: 10.7270/Q2D50P5K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50407309 (CHEMBL37725) Show SMILES Cn1c(cc2cc(OCc3ccccc3)ccc12)C(O)=O Show InChI InChI=1S/C17H15NO3/c1-18-15-8-7-14(9-13(15)10-16(18)17(19)20)21-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,19,20)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Apparent inhibition constant against recombinant human Steroid 5-alpha-reductase type I expressed in CHO cells				J Med Chem 38: 13-5 (1995) BindingDB Entry DOI: 10.7270/Q2D50P5K
					More data for this Ligand-Target Pair