Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for entry = 50018123   

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))	BDBM50191598 (3-((1H-imidazol-1-yl)methyl)-2-(4-nitrophenyl)-4H-...) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1Cn1ccnc1 Show InChI InChI=1S/C19H13N3O4/c23-18-15-3-1-2-4-17(15)26-19(16(18)11-21-10-9-20-12-21)13-5-7-14(8-6-13)22(24)25/h1-10,12H,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of CYP19				J Med Chem 49: 4777-80 (2006) Article DOI: 10.1021/jm060186y BindingDB Entry DOI: 10.7270/Q2668CTW
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50191598 (3-((1H-imidazol-1-yl)methyl)-2-(4-nitrophenyl)-4H-...) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1Cn1ccnc1 Show InChI InChI=1S/C19H13N3O4/c23-18-15-3-1-2-4-17(15)26-19(16(18)11-21-10-9-20-12-21)13-5-7-14(8-6-13)22(24)25/h1-10,12H,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of CYP19				J Med Chem 49: 4777-80 (2006) Article DOI: 10.1021/jm060186y BindingDB Entry DOI: 10.7270/Q2668CTW
					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	Article 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 CYP19				J Med Chem 49: 4777-80 (2006) Article DOI: 10.1021/jm060186y BindingDB Entry DOI: 10.7270/Q2668CTW
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50191602 (4'-cyano-3-(imidazolylmethyl)flavone | 4-(3-((1H-i...) Show SMILES O=c1c(Cn2ccnc2)c(oc2ccccc12)-c1ccc(cc1)C#N Show InChI InChI=1S/C20H13N3O2/c21-11-14-5-7-15(8-6-14)20-17(12-23-10-9-22-13-23)19(24)16-3-1-2-4-18(16)25-20/h1-10,13H,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of CYP19				J Med Chem 49: 4777-80 (2006) Article DOI: 10.1021/jm060186y BindingDB Entry DOI: 10.7270/Q2668CTW
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50191602 (4'-cyano-3-(imidazolylmethyl)flavone | 4-(3-((1H-i...) Show SMILES O=c1c(Cn2ccnc2)c(oc2ccccc12)-c1ccc(cc1)C#N Show InChI InChI=1S/C20H13N3O2/c21-11-14-5-7-15(8-6-14)20-17(12-23-10-9-22-13-23)19(24)16-3-1-2-4-18(16)25-20/h1-10,13H,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of CYP19				J Med Chem 49: 4777-80 (2006) Article DOI: 10.1021/jm060186y BindingDB Entry DOI: 10.7270/Q2668CTW
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50191599 (3-((1H-imidazol-1-yl)methyl)-2-phenyl-4H-chromen-4...) Show SMILES O=c1c(Cn2ccnc2)c(oc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C19H14N2O2/c22-18-15-8-4-5-9-17(15)23-19(14-6-2-1-3-7-14)16(18)12-21-11-10-20-13-21/h1-11,13H,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of CYP19				J Med Chem 49: 4777-80 (2006) Article DOI: 10.1021/jm060186y BindingDB Entry DOI: 10.7270/Q2668CTW
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50191599 (3-((1H-imidazol-1-yl)methyl)-2-phenyl-4H-chromen-4...) Show SMILES O=c1c(Cn2ccnc2)c(oc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C19H14N2O2/c22-18-15-8-4-5-9-17(15)23-19(14-6-2-1-3-7-14)16(18)12-21-11-10-20-13-21/h1-11,13H,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of CYP19				J Med Chem 49: 4777-80 (2006) Article DOI: 10.1021/jm060186y BindingDB Entry DOI: 10.7270/Q2668CTW
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50191600 (3-((1H-imidazol-1-yl)methyl)-2-(4-methoxyphenyl)-4...) Show SMILES COc1ccc(cc1)-c1oc2ccccc2c(=O)c1Cn1ccnc1 Show InChI InChI=1S/C20H16N2O3/c1-24-15-8-6-14(7-9-15)20-17(12-22-11-10-21-13-22)19(23)16-4-2-3-5-18(16)25-20/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	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of CYP19				J Med Chem 49: 4777-80 (2006) Article DOI: 10.1021/jm060186y BindingDB Entry DOI: 10.7270/Q2668CTW
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50191600 (3-((1H-imidazol-1-yl)methyl)-2-(4-methoxyphenyl)-4...) Show SMILES COc1ccc(cc1)-c1oc2ccccc2c(=O)c1Cn1ccnc1 Show InChI InChI=1S/C20H16N2O3/c1-24-15-8-6-14(7-9-15)20-17(12-22-11-10-21-13-22)19(23)16-4-2-3-5-18(16)25-20/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	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of CYP19				J Med Chem 49: 4777-80 (2006) Article DOI: 10.1021/jm060186y BindingDB Entry DOI: 10.7270/Q2668CTW
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50191597 (3-((1H-imidazol-1-yl)methyl)-2-(4-bromophenyl)-4H-...) Show SMILES Brc1ccc(cc1)-c1oc2ccccc2c(=O)c1Cn1ccnc1 Show InChI InChI=1S/C19H13BrN2O2/c20-14-7-5-13(6-8-14)19-16(11-22-10-9-21-12-22)18(23)15-3-1-2-4-17(15)24-19/h1-10,12H,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of CYP19				J Med Chem 49: 4777-80 (2006) Article DOI: 10.1021/jm060186y BindingDB Entry DOI: 10.7270/Q2668CTW
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50191597 (3-((1H-imidazol-1-yl)methyl)-2-(4-bromophenyl)-4H-...) Show SMILES Brc1ccc(cc1)-c1oc2ccccc2c(=O)c1Cn1ccnc1 Show InChI InChI=1S/C19H13BrN2O2/c20-14-7-5-13(6-8-14)19-16(11-22-10-9-21-12-22)18(23)15-3-1-2-4-17(15)24-19/h1-10,12H,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of CYP19				J Med Chem 49: 4777-80 (2006) Article DOI: 10.1021/jm060186y BindingDB Entry DOI: 10.7270/Q2668CTW
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50191603 (3-((1H-imidazol-1-yl)methyl)-7-methoxy-2-(4-nitrop...) Show SMILES COc1ccc2c(c1)oc(-c1ccc(cc1)[N+]([O-])=O)c(Cn1ccnc1)c2=O Show InChI InChI=1S/C20H15N3O5/c1-27-15-6-7-16-18(10-15)28-20(13-2-4-14(5-3-13)23(25)26)17(19(16)24)11-22-9-8-21-12-22/h2-10,12H,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	468	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of CYP19				J Med Chem 49: 4777-80 (2006) Article DOI: 10.1021/jm060186y BindingDB Entry DOI: 10.7270/Q2668CTW
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50191603 (3-((1H-imidazol-1-yl)methyl)-7-methoxy-2-(4-nitrop...) Show SMILES COc1ccc2c(c1)oc(-c1ccc(cc1)[N+]([O-])=O)c(Cn1ccnc1)c2=O Show InChI InChI=1S/C20H15N3O5/c1-27-15-6-7-16-18(10-15)28-20(13-2-4-14(5-3-13)23(25)26)17(19(16)24)11-22-9-8-21-12-22/h2-10,12H,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	468	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of CYP19				J Med Chem 49: 4777-80 (2006) Article DOI: 10.1021/jm060186y BindingDB Entry DOI: 10.7270/Q2668CTW
					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	Article 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 CYP19				J Med Chem 49: 4777-80 (2006) Article DOI: 10.1021/jm060186y BindingDB Entry DOI: 10.7270/Q2668CTW
					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	Article 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 CYP19				J Med Chem 49: 4777-80 (2006) Article DOI: 10.1021/jm060186y BindingDB Entry DOI: 10.7270/Q2668CTW
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50191601 (4'-cyano-3-(imidazolylmethyl)-7-methoxyflavone | 4...) Show SMILES COc1ccc2c(c1)oc(-c1ccc(cc1)C#N)c(Cn1ccnc1)c2=O Show InChI InChI=1S/C21H15N3O3/c1-26-16-6-7-17-19(10-16)27-21(15-4-2-14(11-22)3-5-15)18(20(17)25)12-24-9-8-23-13-24/h2-10,13H,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of CYP19				J Med Chem 49: 4777-80 (2006) Article DOI: 10.1021/jm060186y BindingDB Entry DOI: 10.7270/Q2668CTW
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50191601 (4'-cyano-3-(imidazolylmethyl)-7-methoxyflavone | 4...) Show SMILES COc1ccc2c(c1)oc(-c1ccc(cc1)C#N)c(Cn1ccnc1)c2=O Show InChI InChI=1S/C21H15N3O3/c1-26-16-6-7-17-19(10-16)27-21(15-4-2-14(11-22)3-5-15)18(20(17)25)12-24-9-8-23-13-24/h2-10,13H,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of CYP19				J Med Chem 49: 4777-80 (2006) Article DOI: 10.1021/jm060186y BindingDB Entry DOI: 10.7270/Q2668CTW
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50191596 (3-((1H-imidazol-1-yl)methyl)-2-(4-bromophenyl)-7-m...) Show SMILES COc1ccc2c(c1)oc(-c1ccc(Br)cc1)c(Cn1ccnc1)c2=O Show InChI InChI=1S/C20H15BrN2O3/c1-25-15-6-7-16-18(10-15)26-20(13-2-4-14(21)5-3-13)17(19(16)24)11-23-9-8-22-12-23/h2-10,12H,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of CYP19				J Med Chem 49: 4777-80 (2006) Article DOI: 10.1021/jm060186y BindingDB Entry DOI: 10.7270/Q2668CTW
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50191596 (3-((1H-imidazol-1-yl)methyl)-2-(4-bromophenyl)-7-m...) Show SMILES COc1ccc2c(c1)oc(-c1ccc(Br)cc1)c(Cn1ccnc1)c2=O Show InChI InChI=1S/C20H15BrN2O3/c1-25-15-6-7-16-18(10-15)26-20(13-2-4-14(21)5-3-13)17(19(16)24)11-23-9-8-22-12-23/h2-10,12H,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of CYP19				J Med Chem 49: 4777-80 (2006) Article DOI: 10.1021/jm060186y BindingDB Entry DOI: 10.7270/Q2668CTW
					More data for this Ligand-Target Pair