Compile Data Set for Download or QSAR

Found 28 hits with Last Name = 'caffa' and Initial = 'i'   

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))	BDBM13061 (4,4 -(1H-1,2,4-triazol-1-ylmethanediyl)dibenzonitr...) Show SMILES N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1cncn1 Show InChI InChI=1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti 'G. d'Annunzio' Curated by ChEMBL					Assay Description Inhibition of recombinant human aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate measured at anoxic conditions by fluorescence analy...				Bioorg Med Chem Lett 26: 3192-4 (2016) Article DOI: 10.1016/j.bmcl.2016.04.078 BindingDB Entry DOI: 10.7270/Q29C70CS
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50171310 (CHEMBL3805814) Show SMILES COc1ccc(cc1Br)S(=O)(=O)N1CCCC(Cn2ccnc2)C1 Show InChI InChI=1S/C16H20BrN3O3S/c1-23-16-5-4-14(9-15(16)17)24(21,22)20-7-2-3-13(11-20)10-19-8-6-18-12-19/h4-6,8-9,12-13H,2-3,7,10-11H2,1H3	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	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti 'G. d'Annunzio' Curated by ChEMBL					Assay Description Inhibition of recombinant human aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate measured at anoxic conditions by fluorescence analy...				Bioorg Med Chem Lett 26: 3192-4 (2016) Article DOI: 10.1016/j.bmcl.2016.04.078 BindingDB Entry DOI: 10.7270/Q29C70CS
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50171231 (CHEMBL3805851) Show SMILES O=S(=O)(N1CCCC(Cn2ccnc2)C1)c1ccc2nsnc2c1 Show InChI InChI=1S/C15H17N5O2S2/c21-24(22,13-3-4-14-15(8-13)18-23-17-14)20-6-1-2-12(10-20)9-19-7-5-16-11-19/h3-5,7-8,11-12H,1-2,6,9-10H2	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	7	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti 'G. d'Annunzio' Curated by ChEMBL					Assay Description Inhibition of recombinant human aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate measured at anoxic conditions by fluorescence analy...				Bioorg Med Chem Lett 26: 3192-4 (2016) Article DOI: 10.1016/j.bmcl.2016.04.078 BindingDB Entry DOI: 10.7270/Q29C70CS
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50345657 (CHEMBL1784801 | rac-3-((1H-imidazol-1-yl)methyl)-1...) Show SMILES COc1ccc(cc1C(C)(C)C)S(=O)(=O)N1CCCC(Cn2ccnc2)C1 Show InChI InChI=1S/C20H29N3O3S/c1-20(2,3)18-12-17(7-8-19(18)26-4)27(24,25)23-10-5-6-16(14-23)13-22-11-9-21-15-22/h7-9,11-12,15-16H,5-6,10,13-14H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti 'G. d'Annunzio' Curated by ChEMBL					Assay Description Inhibition of recombinant human aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate measured at anoxic conditions by fluorescence analy...				Bioorg Med Chem Lett 26: 3192-4 (2016) Article DOI: 10.1016/j.bmcl.2016.04.078 BindingDB Entry DOI: 10.7270/Q29C70CS
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50171227 (CHEMBL3806301) Show SMILES [O-][N+](=O)c1cccc(Cl)c1Oc1cccc(c1)S(=O)(=O)N1CCCC(Cn2ccnc2)C1 Show InChI InChI=1S/C21H21ClN4O5S/c22-19-7-2-8-20(26(27)28)21(19)31-17-5-1-6-18(12-17)32(29,30)25-10-3-4-16(14-25)13-24-11-9-23-15-24/h1-2,5-9,11-12,15-16H,3-4,10,13-14H2	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	9	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti 'G. d'Annunzio' Curated by ChEMBL					Assay Description Inhibition of recombinant human aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate measured at anoxic conditions by fluorescence analy...				Bioorg Med Chem Lett 26: 3192-4 (2016) Article DOI: 10.1016/j.bmcl.2016.04.078 BindingDB Entry DOI: 10.7270/Q29C70CS
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50171229 (CHEMBL3805211) Show SMILES O=S(=O)(N1CCCC(Cn2ccnc2)C1)c1ccc2OCCOc2c1 Show InChI InChI=1S/C17H21N3O4S/c21-25(22,15-3-4-16-17(10-15)24-9-8-23-16)20-6-1-2-14(12-20)11-19-7-5-18-13-19/h3-5,7,10,13-14H,1-2,6,8-9,11-12H2	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	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti 'G. d'Annunzio' Curated by ChEMBL					Assay Description Inhibition of recombinant human aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate measured at anoxic conditions by fluorescence analy...				Bioorg Med Chem Lett 26: 3192-4 (2016) Article DOI: 10.1016/j.bmcl.2016.04.078 BindingDB Entry DOI: 10.7270/Q29C70CS
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50171390 (CHEMBL3805733) Show SMILES O=S(=O)(N1CCCC(Cn2ccnc2)C1)c1ccc(OC2CCCC2)cc1 Show InChI InChI=1S/C20H27N3O3S/c24-27(25,20-9-7-19(8-10-20)26-18-5-1-2-6-18)23-12-3-4-17(15-23)14-22-13-11-21-16-22/h7-11,13,16-18H,1-6,12,14-15H2	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	14	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti 'G. d'Annunzio' Curated by ChEMBL					Assay Description Inhibition of recombinant human aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate measured at anoxic conditions by fluorescence analy...				Bioorg Med Chem Lett 26: 3192-4 (2016) Article DOI: 10.1016/j.bmcl.2016.04.078 BindingDB Entry DOI: 10.7270/Q29C70CS
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50171226 (CHEMBL3805173) Show SMILES COc1ccc(cc1F)S(=O)(=O)N1CCCC(Cn2ccnc2)C1 Show InChI InChI=1S/C16H20FN3O3S/c1-23-16-5-4-14(9-15(16)17)24(21,22)20-7-2-3-13(11-20)10-19-8-6-18-12-19/h4-6,8-9,12-13H,2-3,7,10-11H2,1H3	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	14	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti 'G. d'Annunzio' Curated by ChEMBL					Assay Description Inhibition of recombinant human aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate measured at anoxic conditions by fluorescence analy...				Bioorg Med Chem Lett 26: 3192-4 (2016) Article DOI: 10.1016/j.bmcl.2016.04.078 BindingDB Entry DOI: 10.7270/Q29C70CS
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50171228 (CHEMBL3805481) Show SMILES Fc1ccc(cc1Cl)S(=O)(=O)N1CCCC(Cn2ccnc2)C1 Show InChI InChI=1S/C15H17ClFN3O2S/c16-14-8-13(3-4-15(14)17)23(21,22)20-6-1-2-12(10-20)9-19-7-5-18-11-19/h3-5,7-8,11-12H,1-2,6,9-10H2	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	14	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti 'G. d'Annunzio' Curated by ChEMBL					Assay Description Inhibition of recombinant human aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate measured at anoxic conditions by fluorescence analy...				Bioorg Med Chem Lett 26: 3192-4 (2016) Article DOI: 10.1016/j.bmcl.2016.04.078 BindingDB Entry DOI: 10.7270/Q29C70CS
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50171345 (CHEMBL3805008) Show SMILES [O-][N+](=O)c1ccc(cc1C(F)(F)F)S(=O)(=O)N1CCCC(Cn2ccnc2)C1 Show InChI InChI=1S/C16H17F3N4O4S/c17-16(18,19)14-8-13(3-4-15(14)23(24)25)28(26,27)22-6-1-2-12(10-22)9-21-7-5-20-11-21/h3-5,7-8,11-12H,1-2,6,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti 'G. d'Annunzio' Curated by ChEMBL					Assay Description Inhibition of recombinant human aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate measured at anoxic conditions by fluorescence analy...				Bioorg Med Chem Lett 26: 3192-4 (2016) Article DOI: 10.1016/j.bmcl.2016.04.078 BindingDB Entry DOI: 10.7270/Q29C70CS
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50171348 (CHEMBL3806075) Show SMILES COc1c(C)cc(cc1C)S(=O)(=O)N1CCCC(Cn2ccnc2)C1 Show InChI InChI=1S/C18H25N3O3S/c1-14-9-17(10-15(2)18(14)24-3)25(22,23)21-7-4-5-16(12-21)11-20-8-6-19-13-20/h6,8-10,13,16H,4-5,7,11-12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti 'G. d'Annunzio' Curated by ChEMBL					Assay Description Inhibition of recombinant human aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate measured at anoxic conditions by fluorescence analy...				Bioorg Med Chem Lett 26: 3192-4 (2016) Article DOI: 10.1016/j.bmcl.2016.04.078 BindingDB Entry DOI: 10.7270/Q29C70CS
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50171350 (CHEMBL3805539) Show SMILES Fc1cc(ccc1OC1CCCC1)S(=O)(=O)N1CCCC(Cn2ccnc2)C1 Show InChI InChI=1S/C20H26FN3O3S/c21-19-12-18(7-8-20(19)27-17-5-1-2-6-17)28(25,26)24-10-3-4-16(14-24)13-23-11-9-22-15-23/h7-9,11-12,15-17H,1-6,10,13-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti 'G. d'Annunzio' Curated by ChEMBL					Assay Description Inhibition of recombinant human aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate measured at anoxic conditions by fluorescence analy...				Bioorg Med Chem Lett 26: 3192-4 (2016) Article DOI: 10.1016/j.bmcl.2016.04.078 BindingDB Entry DOI: 10.7270/Q29C70CS
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50171208 (CHEMBL3805310) Show SMILES Cc1cc(ccc1F)S(=O)(=O)N1CCCC(Cn2ccnc2)C1 Show InChI InChI=1S/C16H20FN3O2S/c1-13-9-15(4-5-16(13)17)23(21,22)20-7-2-3-14(11-20)10-19-8-6-18-12-19/h4-6,8-9,12,14H,2-3,7,10-11H2,1H3	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	24	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti 'G. d'Annunzio' Curated by ChEMBL					Assay Description Inhibition of recombinant human aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate measured at anoxic conditions by fluorescence analy...				Bioorg Med Chem Lett 26: 3192-4 (2016) Article DOI: 10.1016/j.bmcl.2016.04.078 BindingDB Entry DOI: 10.7270/Q29C70CS
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50171308 (CHEMBL3806046) Show SMILES O=S(=O)(N1CCCC(Cn2ccnc2)C1)c1ccc(cc1)C#N Show InChI InChI=1S/C16H18N4O2S/c17-10-14-3-5-16(6-4-14)23(21,22)20-8-1-2-15(12-20)11-19-9-7-18-13-19/h3-7,9,13,15H,1-2,8,11-12H2	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	36	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti 'G. d'Annunzio' Curated by ChEMBL					Assay Description Inhibition of recombinant human aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate measured at anoxic conditions by fluorescence analy...				Bioorg Med Chem Lett 26: 3192-4 (2016) Article DOI: 10.1016/j.bmcl.2016.04.078 BindingDB Entry DOI: 10.7270/Q29C70CS
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50171311 (CHEMBL3805149) Show SMILES COc1ccc(cc1OC)S(=O)(=O)N1CCCC(Cn2ccnc2)C1 Show InChI InChI=1S/C17H23N3O4S/c1-23-16-6-5-15(10-17(16)24-2)25(21,22)20-8-3-4-14(12-20)11-19-9-7-18-13-19/h5-7,9-10,13-14H,3-4,8,11-12H2,1-2H3	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	42	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti 'G. d'Annunzio' Curated by ChEMBL					Assay Description Inhibition of recombinant human aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate measured at anoxic conditions by fluorescence analy...				Bioorg Med Chem Lett 26: 3192-4 (2016) Article DOI: 10.1016/j.bmcl.2016.04.078 BindingDB Entry DOI: 10.7270/Q29C70CS
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50171307 (CHEMBL3806159) Show SMILES Fc1ccc(cc1F)S(=O)(=O)N1CCCC(Cn2ccnc2)C1 Show InChI InChI=1S/C15H17F2N3O2S/c16-14-4-3-13(8-15(14)17)23(21,22)20-6-1-2-12(10-20)9-19-7-5-18-11-19/h3-5,7-8,11-12H,1-2,6,9-10H2	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	43	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti 'G. d'Annunzio' Curated by ChEMBL					Assay Description Inhibition of recombinant human aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate measured at anoxic conditions by fluorescence analy...				Bioorg Med Chem Lett 26: 3192-4 (2016) Article DOI: 10.1016/j.bmcl.2016.04.078 BindingDB Entry DOI: 10.7270/Q29C70CS
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50171346 (CHEMBL3805388) Show SMILES COc1c(C)cc(c(C)c1C)S(=O)(=O)N1CCCC(Cn2ccnc2)C1 Show InChI InChI=1S/C19H27N3O3S/c1-14-10-18(15(2)16(3)19(14)25-4)26(23,24)22-8-5-6-17(12-22)11-21-9-7-20-13-21/h7,9-10,13,17H,5-6,8,11-12H2,1-4H3	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 Chieti 'G. d'Annunzio' Curated by ChEMBL					Assay Description Inhibition of recombinant human aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate measured at anoxic conditions by fluorescence analy...				Bioorg Med Chem Lett 26: 3192-4 (2016) Article DOI: 10.1016/j.bmcl.2016.04.078 BindingDB Entry DOI: 10.7270/Q29C70CS
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50171309 (CHEMBL3805839) Show SMILES Fc1ccc(c(F)c1F)S(=O)(=O)N1CCCC(Cn2ccnc2)C1 Show InChI InChI=1S/C15H16F3N3O2S/c16-12-3-4-13(15(18)14(12)17)24(22,23)21-6-1-2-11(9-21)8-20-7-5-19-10-20/h3-5,7,10-11H,1-2,6,8-9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti 'G. d'Annunzio' Curated by ChEMBL					Assay Description Inhibition of recombinant human aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate measured at anoxic conditions by fluorescence analy...				Bioorg Med Chem Lett 26: 3192-4 (2016) Article DOI: 10.1016/j.bmcl.2016.04.078 BindingDB Entry DOI: 10.7270/Q29C70CS
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50171342 (CHEMBL3806185) Show SMILES Cc1cc(F)ccc1S(=O)(=O)N1CCCC(Cn2ccnc2)C1 Show InChI InChI=1S/C16H20FN3O2S/c1-13-9-15(17)4-5-16(13)23(21,22)20-7-2-3-14(11-20)10-19-8-6-18-12-19/h4-6,8-9,12,14H,2-3,7,10-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti 'G. d'Annunzio' Curated by ChEMBL					Assay Description Inhibition of recombinant human aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate measured at anoxic conditions by fluorescence analy...				Bioorg Med Chem Lett 26: 3192-4 (2016) Article DOI: 10.1016/j.bmcl.2016.04.078 BindingDB Entry DOI: 10.7270/Q29C70CS
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50171344 (CHEMBL3805657) Show SMILES CS(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCCC(Cn2ccnc2)C1 Show InChI InChI=1S/C16H21N3O4S2/c1-24(20,21)15-4-6-16(7-5-15)25(22,23)19-9-2-3-14(12-19)11-18-10-8-17-13-18/h4-8,10,13-14H,2-3,9,11-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti 'G. d'Annunzio' Curated by ChEMBL					Assay Description Inhibition of recombinant human aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate measured at anoxic conditions by fluorescence analy...				Bioorg Med Chem Lett 26: 3192-4 (2016) Article DOI: 10.1016/j.bmcl.2016.04.078 BindingDB Entry DOI: 10.7270/Q29C70CS
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50171312 (CHEMBL3805048) Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCCC(Cn2ccnc2)C1 Show InChI InChI=1S/C15H18FN3O2S/c16-14-3-5-15(6-4-14)22(20,21)19-8-1-2-13(11-19)10-18-9-7-17-12-18/h3-7,9,12-13H,1-2,8,10-11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti 'G. d'Annunzio' Curated by ChEMBL					Assay Description Inhibition of recombinant human aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate measured at anoxic conditions by fluorescence analy...				Bioorg Med Chem Lett 26: 3192-4 (2016) Article DOI: 10.1016/j.bmcl.2016.04.078 BindingDB Entry DOI: 10.7270/Q29C70CS
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50171207 (CHEMBL3805021) Show SMILES COC(=O)c1ccccc1S(=O)(=O)N1CCCC(Cn2ccnc2)C1 Show InChI InChI=1S/C17H21N3O4S/c1-24-17(21)15-6-2-3-7-16(15)25(22,23)20-9-4-5-14(12-20)11-19-10-8-18-13-19/h2-3,6-8,10,13-14H,4-5,9,11-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti 'G. d'Annunzio' Curated by ChEMBL					Assay Description Inhibition of recombinant human aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate measured at anoxic conditions by fluorescence analy...				Bioorg Med Chem Lett 26: 3192-4 (2016) Article DOI: 10.1016/j.bmcl.2016.04.078 BindingDB Entry DOI: 10.7270/Q29C70CS
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50171230 (CHEMBL3806151) Show SMILES O=S(=O)(N1CCCC(Cn2ccnc2)C1)c1cccc2nsnc12 Show InChI InChI=1S/C15H17N5O2S2/c21-24(22,14-5-1-4-13-15(14)18-23-17-13)20-7-2-3-12(10-20)9-19-8-6-16-11-19/h1,4-6,8,11-12H,2-3,7,9-10H2	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	54	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti 'G. d'Annunzio' Curated by ChEMBL					Assay Description Inhibition of recombinant human aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate measured at anoxic conditions by fluorescence analy...				Bioorg Med Chem Lett 26: 3192-4 (2016) Article DOI: 10.1016/j.bmcl.2016.04.078 BindingDB Entry DOI: 10.7270/Q29C70CS
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50171349 (CHEMBL3805820) Show SMILES COc1ccc(c(C)c1C)S(=O)(=O)N1CCCC(Cn2ccnc2)C1 Show InChI InChI=1S/C18H25N3O3S/c1-14-15(2)18(7-6-17(14)24-3)25(22,23)21-9-4-5-16(12-21)11-20-10-8-19-13-20/h6-8,10,13,16H,4-5,9,11-12H2,1-3H3	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	59	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti 'G. d'Annunzio' Curated by ChEMBL					Assay Description Inhibition of recombinant human aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate measured at anoxic conditions by fluorescence analy...				Bioorg Med Chem Lett 26: 3192-4 (2016) Article DOI: 10.1016/j.bmcl.2016.04.078 BindingDB Entry DOI: 10.7270/Q29C70CS
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50171306 (CHEMBL3806282) Show SMILES Clc1cc(ccc1S(=O)(=O)N1CCCC(Cn2ccnc2)C1)C#N Show InChI InChI=1S/C16H17ClN4O2S/c17-15-8-13(9-18)3-4-16(15)24(22,23)21-6-1-2-14(11-21)10-20-7-5-19-12-20/h3-5,7-8,12,14H,1-2,6,10-11H2	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	79	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti 'G. d'Annunzio' Curated by ChEMBL					Assay Description Inhibition of recombinant human aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate measured at anoxic conditions by fluorescence analy...				Bioorg Med Chem Lett 26: 3192-4 (2016) Article DOI: 10.1016/j.bmcl.2016.04.078 BindingDB Entry DOI: 10.7270/Q29C70CS
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50171343 (CHEMBL3804993) Show SMILES COc1cc(ccc1S(=O)(=O)N1CCCC(Cn2ccnc2)C1)[N+]([O-])=O Show InChI InChI=1S/C16H20N4O5S/c1-25-15-9-14(20(21)22)4-5-16(15)26(23,24)19-7-2-3-13(11-19)10-18-8-6-17-12-18/h4-6,8-9,12-13H,2-3,7,10-11H2,1H3	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	129	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti 'G. d'Annunzio' Curated by ChEMBL					Assay Description Inhibition of recombinant human aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate measured at anoxic conditions by fluorescence analy...				Bioorg Med Chem Lett 26: 3192-4 (2016) Article DOI: 10.1016/j.bmcl.2016.04.078 BindingDB Entry DOI: 10.7270/Q29C70CS
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50171300 (CHEMBL3805678) Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1CCCC(Cn2ccnc2)C1 Show InChI InChI=1S/C17H23N3O4S/c1-23-15-5-6-17(16(10-15)24-2)25(21,22)20-8-3-4-14(12-20)11-19-9-7-18-13-19/h5-7,9-10,13-14H,3-4,8,11-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	131	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti 'G. d'Annunzio' Curated by ChEMBL					Assay Description Inhibition of recombinant human aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate measured at anoxic conditions by fluorescence analy...				Bioorg Med Chem Lett 26: 3192-4 (2016) Article DOI: 10.1016/j.bmcl.2016.04.078 BindingDB Entry DOI: 10.7270/Q29C70CS
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50171232 (CHEMBL3804849) Show SMILES OC(=O)c1cc(ccc1O)S(=O)(=O)N1CCCC(Cn2ccnc2)C1 Show InChI InChI=1S/C16H19N3O5S/c20-15-4-3-13(8-14(15)16(21)22)25(23,24)19-6-1-2-12(10-19)9-18-7-5-17-11-18/h3-5,7-8,11-12,20H,1-2,6,9-10H2,(H,21,22)	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	339	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti 'G. d'Annunzio' Curated by ChEMBL					Assay Description Inhibition of recombinant human aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate measured at anoxic conditions by fluorescence analy...				Bioorg Med Chem Lett 26: 3192-4 (2016) Article DOI: 10.1016/j.bmcl.2016.04.078 BindingDB Entry DOI: 10.7270/Q29C70CS
					More data for this Ligand-Target Pair