Compile Data Set for Download or QSAR

Found 22 hits with Last Name = 'bunnett' and Initial = 'ma'   

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))	BDBM50405683 (CHEMBL174909) Show SMILES CCCCN1C(=O)C2CC2(C1=O)c1ccc(N)cc1 Show InChI InChI=1S/C15H18N2O2/c1-2-3-8-17-13(18)12-9-15(12,14(17)19)10-4-6-11(16)7-5-10/h4-7,12H,2-3,8-9,16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Apparent inhibition constant (Ki) for cytochrome P450 19A1 with androstenedione				J Med Chem 31: 971-6 (1988) BindingDB Entry DOI: 10.7270/Q2154J7X
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50011767 (1-(4-Amino-phenyl)-3-pentyl-3-aza-bicyclo[3.1.0]he...) Show SMILES CCCCCN1C(=O)C2CC2(C1=O)c1ccc(N)cc1 Show InChI InChI=1S/C16H20N2O2/c1-2-3-4-9-18-14(19)13-10-16(13,15(18)20)11-5-7-12(17)8-6-11/h5-8,13H,2-4,9-10,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of human placental cytochrome P450 19A1 androstenedione				J Med Chem 31: 971-6 (1988) BindingDB Entry DOI: 10.7270/Q2154J7X
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50405688 (CHEMBL174407) Show SMILES CCCN1C(=O)C2CC2(C1=O)c1ccc(N)cc1 Show InChI InChI=1S/C14H16N2O2/c1-2-7-16-12(17)11-8-14(11,13(16)18)9-3-5-10(15)6-4-9/h3-6,11H,2,7-8,15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of human placental cytochrome P450 19A1 androstenedione				J Med Chem 31: 971-6 (1988) BindingDB Entry DOI: 10.7270/Q2154J7X
					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	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))	BDBM50011760 (1-(4-Amino-phenyl)-3-aza-bicyclo[3.1.0]hexane-2,4-...) Show SMILES Nc1ccc(cc1)C12CC1C(=O)NC2=O Show InChI InChI=1S/C11H10N2O2/c12-7-3-1-6(2-4-7)11-5-8(11)9(14)13-10(11)15/h1-4,8H,5,12H2,(H,13,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of human placental cytochrome P450 19A1 androstenedione				J Med Chem 31: 971-6 (1988) BindingDB Entry DOI: 10.7270/Q2154J7X
					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))	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))	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	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of human placental cytochrome P450 19A1 with testosterone				J Med Chem 31: 971-6 (1988) BindingDB Entry DOI: 10.7270/Q2154J7X
					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