Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for entry = 50010666   

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))	BDBM50097366 (4-((1H-imidazol-1-yl)methyl)-1-nitro-4aH-xanthen-9...) Show SMILES [O-][N+](=O)c1ccc(Cn2ccnc2)c2oc3ccccc3c(=O)c12 Show InChI InChI=1S/C17H11N3O4/c21-16-12-3-1-2-4-14(12)24-17-11(9-19-8-7-18-10-19)5-6-13(15(16)17)20(22)23/h1-8,10H,9H2	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	40	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human placental microsome cytochrome P450 19A1 aromatase				J Med Chem 44: 672-80 (2001) BindingDB Entry DOI: 10.7270/Q28S4P6H
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50097370 (1-((1H-imidazol-1-yl)methyl)-4-bromo-9H-xanthen-9-...) Show SMILES Brc1ccc(Cn2ccnc2)c2c1oc1ccccc1c2=O Show InChI InChI=1S/C17H11BrN2O2/c18-13-6-5-11(9-20-8-7-19-10-20)15-16(21)12-3-1-2-4-14(12)22-17(13)15/h1-8,10H,9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human testicular microsome Steroid 17-alpha-hydroxylase/17,20 lyase				J Med Chem 44: 672-80 (2001) BindingDB Entry DOI: 10.7270/Q28S4P6H
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50097373 (4-((1H-imidazol-1-yl)methyl)-9-oxo-9H-xanthene-1-c...) Show SMILES O=c1c2ccccc2oc2c(Cn3ccnc3)ccc(C#N)c12 Show InChI InChI=1S/C18H11N3O2/c19-9-12-5-6-13(10-21-8-7-20-11-21)18-16(12)17(22)14-3-1-2-4-15(14)23-18/h1-8,11H,10H2	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	43	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human placental microsome cytochrome P450 19A1 aromatase				J Med Chem 44: 672-80 (2001) BindingDB Entry DOI: 10.7270/Q28S4P6H
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM8611 (4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...) Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12 Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human placental microsome cytochrome P450 19A1 aromatase				J Med Chem 44: 672-80 (2001) BindingDB Entry DOI: 10.7270/Q28S4P6H
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50097367 (1-Bromo-4-imidazol-1-ylmethyl-xanthen-9-one | 4-((...) Show SMILES Brc1ccc(Cn2ccnc2)c2oc3ccccc3c(=O)c12 Show InChI InChI=1S/C17H11BrN2O2/c18-13-6-5-11(9-20-8-7-19-10-20)17-15(13)16(21)12-3-1-2-4-14(12)22-17/h1-8,10H,9H2	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	89	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human placental microsome cytochrome P450 19A1 aromatase				J Med Chem 44: 672-80 (2001) BindingDB Entry DOI: 10.7270/Q28S4P6H
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50097369 (7-((1H-imidazol-1-yl)methyl)-4H-chromen-4-one | 7-...) Show SMILES O=c1ccoc2cc(Cn3ccnc3)ccc12 Show InChI InChI=1S/C13H10N2O2/c16-12-3-6-17-13-7-10(1-2-11(12)13)8-15-5-4-14-9-15/h1-7,9H,8H2	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	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human placental microsome cytochrome P450 19A1 aromatase				J Med Chem 44: 672-80 (2001) BindingDB Entry DOI: 10.7270/Q28S4P6H
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50097363 (1-((1H-imidazol-1-yl)methyl)-4-nitro-9H-xanthen-9-...) Show SMILES [O-][N+](=O)c1ccc(Cn2ccnc2)c2c1oc1ccccc1c2=O Show InChI InChI=1S/C17H11N3O4/c21-16-12-3-1-2-4-14(12)24-17-13(20(22)23)6-5-11(15(16)17)9-19-8-7-18-10-19/h1-8,10H,9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human testicular microsome Steroid 17-alpha-hydroxylase/17,20 lyase				J Med Chem 44: 672-80 (2001) BindingDB Entry DOI: 10.7270/Q28S4P6H
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50097365 (1-((1H-imidazol-1-yl)methyl)-9-oxo-9H-xanthene-4-c...) Show SMILES O=c1c2ccccc2oc2c(ccc(Cn3ccnc3)c12)C#N Show InChI InChI=1S/C18H11N3O2/c19-9-12-5-6-13(10-21-8-7-20-11-21)16-17(22)14-3-1-2-4-15(14)23-18(12)16/h1-8,11H,10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human testicular microsome Steroid 17-alpha-hydroxylase/17,20 lyase				J Med Chem 44: 672-80 (2001) BindingDB Entry DOI: 10.7270/Q28S4P6H
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50097368 (8-((1H-imidazol-1-yl)methyl)-4-oxo-4H-chromene-5-c...) Show SMILES O=c1ccoc2c(Cn3ccnc3)ccc(C#N)c12 Show InChI InChI=1S/C14H9N3O2/c15-7-10-1-2-11(8-17-5-4-16-9-17)14-13(10)12(18)3-6-19-14/h1-6,9H,8H2	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	240	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human placental microsome cytochrome P450 19A1 aromatase				J Med Chem 44: 672-80 (2001) BindingDB Entry DOI: 10.7270/Q28S4P6H
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50097364 (3-((1H-imidazol-1-yl)methyl)-9H-xanthen-9-one | 3-...) Show SMILES O=c1c2ccccc2oc2cc(Cn3ccnc3)ccc12 Show InChI InChI=1S/C17H12N2O2/c20-17-13-3-1-2-4-15(13)21-16-9-12(5-6-14(16)17)10-19-8-7-18-11-19/h1-9,11H,10H2	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	390	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human placental microsome cytochrome P450 19A1 aromatase				J Med Chem 44: 672-80 (2001) BindingDB Entry DOI: 10.7270/Q28S4P6H
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50097372 (3-((1H-imidazol-1-yl)methyl)-7-methoxy-2-phenyl-4H...) Show SMILES COc1ccc2c(c1)oc(-c1ccccc1)c(Cn1ccnc1)c2=O Show InChI InChI=1S/C20H16N2O3/c1-24-15-7-8-16-18(11-15)25-20(14-5-3-2-4-6-14)17(19(16)23)12-22-10-9-21-13-22/h2-11,13H,12H2,1H3	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	550	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human placental microsome cytochrome P450 19A1 aromatase				J Med Chem 44: 672-80 (2001) BindingDB Entry DOI: 10.7270/Q28S4P6H
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM31768 (CHEMBL295698 | Ketoconazole | Nizoral | Panfungol) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human testicular microsome Steroid 17-alpha-hydroxylase/17,20 lyase				J Med Chem 44: 672-80 (2001) BindingDB Entry DOI: 10.7270/Q28S4P6H
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50097370 (1-((1H-imidazol-1-yl)methyl)-4-bromo-9H-xanthen-9-...) Show SMILES Brc1ccc(Cn2ccnc2)c2c1oc1ccccc1c2=O Show InChI InChI=1S/C17H11BrN2O2/c18-13-6-5-11(9-20-8-7-19-10-20)15-16(21)12-3-1-2-4-14(12)22-17(13)15/h1-8,10H,9H2	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	940	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human placental microsome cytochrome P450 19A1 aromatase				J Med Chem 44: 672-80 (2001) BindingDB Entry DOI: 10.7270/Q28S4P6H
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50097363 (1-((1H-imidazol-1-yl)methyl)-4-nitro-9H-xanthen-9-...) Show SMILES [O-][N+](=O)c1ccc(Cn2ccnc2)c2c1oc1ccccc1c2=O Show InChI InChI=1S/C17H11N3O4/c21-16-12-3-1-2-4-14(12)24-17-13(20(22)23)6-5-11(15(16)17)9-19-8-7-18-10-19/h1-8,10H,9H2	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	970	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human placental microsome cytochrome P450 19A1 aromatase				J Med Chem 44: 672-80 (2001) BindingDB Entry DOI: 10.7270/Q28S4P6H
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50097362 (8-((1H-imidazol-1-yl)methyl)-5-nitro-4H-chromen-4-...) Show SMILES [O-][N+](=O)c1ccc(Cn2ccnc2)c2occc(=O)c12 Show InChI InChI=1S/C13H9N3O4/c17-11-3-6-20-13-9(7-15-5-4-14-8-15)1-2-10(12(11)13)16(18)19/h1-6,8H,7H2	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	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human placental microsome cytochrome P450 19A1 aromatase				J Med Chem 44: 672-80 (2001) BindingDB Entry DOI: 10.7270/Q28S4P6H
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50097371 (5-Bromo-8-imidazol-1-ylmethyl-chromen-4-one | 8-((...) Show SMILES Brc1ccc(Cn2ccnc2)c2occc(=O)c12 Show InChI InChI=1S/C13H9BrN2O2/c14-10-2-1-9(7-16-5-4-15-8-16)13-12(10)11(17)3-6-18-13/h1-6,8H,7H2	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	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human placental microsome cytochrome P450 19A1 aromatase				J Med Chem 44: 672-80 (2001) BindingDB Entry DOI: 10.7270/Q28S4P6H
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50097365 (1-((1H-imidazol-1-yl)methyl)-9-oxo-9H-xanthene-4-c...) Show SMILES O=c1c2ccccc2oc2c(ccc(Cn3ccnc3)c12)C#N Show InChI InChI=1S/C18H11N3O2/c19-9-12-5-6-13(10-21-8-7-20-11-21)16-17(22)14-3-1-2-4-15(14)23-18(12)16/h1-8,11H,10H2	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	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human placental microsome cytochrome P450 19A1 aromatase				J Med Chem 44: 672-80 (2001) BindingDB Entry DOI: 10.7270/Q28S4P6H
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50097361 (7-((4H-1,2,4-triazol-4-yl)methyl)-4H-chromen-4-one...) Show SMILES O=c1ccoc2cc(Cn3cnnc3)ccc12 Show InChI InChI=1S/C12H9N3O2/c16-11-3-4-17-12-5-9(1-2-10(11)12)6-15-7-13-14-8-15/h1-5,7-8H,6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human placental microsome cytochrome P450 19A1 aromatase				J Med Chem 44: 672-80 (2001) BindingDB Entry DOI: 10.7270/Q28S4P6H
					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	1.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human placental microsome cytochrome P450 19A1 aromatase				J Med Chem 44: 672-80 (2001) BindingDB Entry DOI: 10.7270/Q28S4P6H
					More data for this Ligand-Target Pair