Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with all data for entry = 50003001   

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
Aromatase (Homo sapiens (Human))	BDBM9460 (3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione | 3...) Show SMILES CCC1(CCC(=O)NC1=O)c1ccc(N)cc1 Show InChI InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Cytochrome P450 19A1 against testosterone at 1.5 uM (Km=0.13 uM)				J Med Chem 29: 520-3 (1986) BindingDB Entry DOI: 10.7270/Q28051MG
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50025155 (3-(4-Amino-phenyl)-3-methyl-pyrrolidine-2,5-dione ...) Show SMILES CC1(CC(=O)NC1=O)c1ccc(N)cc1 Show InChI InChI=1S/C11H12N2O2/c1-11(6-9(14)13-10(11)15)7-2-4-8(12)5-3-7/h2-5H,6,12H2,1H3,(H,13,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Cytochrome P450 19A1 against Androstenedione at 0.25 uM (Km=55 nM)				J Med Chem 29: 520-3 (1986) BindingDB Entry DOI: 10.7270/Q28051MG
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50025152 (3-(4-Amino-phenyl)-3-ethyl-pyrrolidine-2,5-dione |...) Show SMILES CCC1(CC(=O)NC1=O)c1ccc(N)cc1 Show InChI InChI=1S/C12H14N2O2/c1-2-12(7-10(15)14-11(12)16)8-3-5-9(13)6-4-8/h3-6H,2,7,13H2,1H3,(H,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Cytochrome P450 19A1 against testosterone at 1.5 uM (Km=0.13 uM)				J Med Chem 29: 520-3 (1986) BindingDB Entry DOI: 10.7270/Q28051MG
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50025151 (3-(4-Amino-phenyl)-1-methyl-pyrrolidine-2,5-dione ...) Show SMILES CN1C(=O)CC(C1=O)c1ccc(N)cc1 Show InChI InChI=1S/C11H12N2O2/c1-13-10(14)6-9(11(13)15)7-2-4-8(12)5-3-7/h2-5,9H,6,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Cytochrome P450 19A1 against testosterone at 1.5 microM (Km=0.13 uM)				J Med Chem 29: 520-3 (1986) BindingDB Entry DOI: 10.7270/Q28051MG
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50025153 (3-(4-Amino-phenyl)-1,3-dimethyl-pyrrolidine-2,5-di...) Show SMILES CN1C(=O)CC(C)(C1=O)c1ccc(N)cc1 Show InChI InChI=1S/C12H14N2O2/c1-12(7-10(15)14(2)11(12)16)8-3-5-9(13)6-4-8/h3-6H,7,13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Cytochrome P450 19A1 against testosterone at 1.5 microM (Km=0.13 uM)				J Med Chem 29: 520-3 (1986) BindingDB Entry DOI: 10.7270/Q28051MG
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM9460 (3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione | 3...) Show SMILES CCC1(CCC(=O)NC1=O)c1ccc(N)cc1 Show InChI InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	n/a	n/a	6.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Cytochrome P450 19A1 against testosterone at 1.5 microM (Km=0.13 uM)				J Med Chem 29: 520-3 (1986) BindingDB Entry DOI: 10.7270/Q28051MG
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM9460 (3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione | 3...) Show SMILES CCC1(CCC(=O)NC1=O)c1ccc(N)cc1 Show InChI InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	n/a	n/a	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Cytochrome P450 19A1 against Androstenedione at 0.25 uM (Km=55 nM)				J Med Chem 29: 520-3 (1986) BindingDB Entry DOI: 10.7270/Q28051MG
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50025152 (3-(4-Amino-phenyl)-3-ethyl-pyrrolidine-2,5-dione |...) Show SMILES CCC1(CC(=O)NC1=O)c1ccc(N)cc1 Show InChI InChI=1S/C12H14N2O2/c1-2-12(7-10(15)14-11(12)16)8-3-5-9(13)6-4-8/h3-6H,2,7,13H2,1H3,(H,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Cytochrome P450 19A1 against testosterone at 1.5 uM (Km=0.13 uM)				J Med Chem 29: 520-3 (1986) BindingDB Entry DOI: 10.7270/Q28051MG
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50025151 (3-(4-Amino-phenyl)-1-methyl-pyrrolidine-2,5-dione ...) Show SMILES CN1C(=O)CC(C1=O)c1ccc(N)cc1 Show InChI InChI=1S/C11H12N2O2/c1-13-10(14)6-9(11(13)15)7-2-4-8(12)5-3-7/h2-5,9H,6,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Cytochrome P450 19A1 against Androstenedione at 0.25 uM (Km=55 nM)				J Med Chem 29: 520-3 (1986) BindingDB Entry DOI: 10.7270/Q28051MG
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50025155 (3-(4-Amino-phenyl)-3-methyl-pyrrolidine-2,5-dione ...) Show SMILES CC1(CC(=O)NC1=O)c1ccc(N)cc1 Show InChI InChI=1S/C11H12N2O2/c1-11(6-9(14)13-10(11)15)7-2-4-8(12)5-3-7/h2-5H,6,12H2,1H3,(H,13,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Cytochrome P450 19A1 against Androstenedione at 0.25 uM (Km=55 nM)				J Med Chem 29: 520-3 (1986) BindingDB Entry DOI: 10.7270/Q28051MG
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50025154 (3-(4-Amino-phenyl)-pyrrolidine-2,5-dione | CHEMBL1...) Show SMILES Nc1ccc(cc1)C1CC(=O)NC1=O Show InChI InChI=1S/C10H10N2O2/c11-7-3-1-6(2-4-7)8-5-9(13)12-10(8)14/h1-4,8H,5,11H2,(H,12,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Cytochrome P450 19A1 against Androstenedione at 0.25 uM (Km=55 nM)				J Med Chem 29: 520-3 (1986) BindingDB Entry DOI: 10.7270/Q28051MG
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50025155 (3-(4-Amino-phenyl)-3-methyl-pyrrolidine-2,5-dione ...) Show SMILES CC1(CC(=O)NC1=O)c1ccc(N)cc1 Show InChI InChI=1S/C11H12N2O2/c1-11(6-9(14)13-10(11)15)7-2-4-8(12)5-3-7/h2-5H,6,12H2,1H3,(H,13,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Cytochrome P450 19A1 against testosterone at 1.5 uM (Km=0.13 uM)				J Med Chem 29: 520-3 (1986) BindingDB Entry DOI: 10.7270/Q28051MG
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50025152 (3-(4-Amino-phenyl)-3-ethyl-pyrrolidine-2,5-dione |...) Show SMILES CCC1(CC(=O)NC1=O)c1ccc(N)cc1 Show InChI InChI=1S/C12H14N2O2/c1-2-12(7-10(15)14-11(12)16)8-3-5-9(13)6-4-8/h3-6H,2,7,13H2,1H3,(H,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Cytochrome P450 19A1 against testosterone at 1.5 uM (Km=0.13 uM)				J Med Chem 29: 520-3 (1986) BindingDB Entry DOI: 10.7270/Q28051MG
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50025153 (3-(4-Amino-phenyl)-1,3-dimethyl-pyrrolidine-2,5-di...) Show SMILES CN1C(=O)CC(C)(C1=O)c1ccc(N)cc1 Show InChI InChI=1S/C12H14N2O2/c1-12(7-10(15)14(2)11(12)16)8-3-5-9(13)6-4-8/h3-6H,7,13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Cytochrome P450 19A1 against testosterone at 1.5 uM (Km=0.13 uM)				J Med Chem 29: 520-3 (1986) BindingDB Entry DOI: 10.7270/Q28051MG
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50025153 (3-(4-Amino-phenyl)-1,3-dimethyl-pyrrolidine-2,5-di...) Show SMILES CN1C(=O)CC(C)(C1=O)c1ccc(N)cc1 Show InChI InChI=1S/C12H14N2O2/c1-12(7-10(15)14(2)11(12)16)8-3-5-9(13)6-4-8/h3-6H,7,13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.57E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Cytochrome P450 19A1 against testosterone at 1.5 microM (Km=0.13 uM)				J Med Chem 29: 520-3 (1986) BindingDB Entry DOI: 10.7270/Q28051MG
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50025151 (3-(4-Amino-phenyl)-1-methyl-pyrrolidine-2,5-dione ...) Show SMILES CN1C(=O)CC(C1=O)c1ccc(N)cc1 Show InChI InChI=1S/C11H12N2O2/c1-13-10(14)6-9(11(13)15)7-2-4-8(12)5-3-7/h2-5,9H,6,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Cytochrome P450 19A1 against testosterone at 1.5 microM (Km=0.13 uM)				J Med Chem 29: 520-3 (1986) BindingDB Entry DOI: 10.7270/Q28051MG
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50025154 (3-(4-Amino-phenyl)-pyrrolidine-2,5-dione | CHEMBL1...) Show SMILES Nc1ccc(cc1)C1CC(=O)NC1=O Show InChI InChI=1S/C10H10N2O2/c11-7-3-1-6(2-4-7)8-5-9(13)12-10(8)14/h1-4,8H,5,11H2,(H,12,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Cytochrome P450 19A1 against Androstenedione at 0.25 uM (Km=55 nM)				J Med Chem 29: 520-3 (1986) BindingDB Entry DOI: 10.7270/Q28051MG
					More data for this Ligand-Target Pair