Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for entry = 50043447   

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))	BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) Show SMILES Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 |r| Show InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tampa Curated by ChEMBL					Assay Description Inhibition of aromatase (unknown origin) using dibenzylfluorescein as substrate after 30 mins by fluorescence assay				J Nat Prod 76: 1966-9 (2013) Article DOI: 10.1021/np400585t BindingDB Entry DOI: 10.7270/Q2N87C7M
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50441293 (3ALPHA,17BETA-DIHYDROXY-5BETA-ANDROSTAN-4-ONE) Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C(=O)[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2O |r| Show InChI InChI=1S/C19H30O3/c1-18-10-8-15(20)17(22)14(18)4-3-11-12-5-6-16(21)19(12,2)9-7-13(11)18/h11-16,20-21H,3-10H2,1-2H3/t11-,12-,13-,14+,15+,16-,18+,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tampa Curated by ChEMBL					Assay Description Inhibition of aromatase (unknown origin) using dibenzylfluorescein as substrate after 30 mins by fluorescence assay				J Nat Prod 76: 1966-9 (2013) Article DOI: 10.1021/np400585t BindingDB Entry DOI: 10.7270/Q2N87C7M
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50441292 (CHEMBL2431527) Show SMILES C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4C(=O)C(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O |r| Show InChI InChI=1S/C19H28O4/c1-18-8-7-13(20)17(23)12(18)4-3-10-11-5-6-15(22)19(11,2)9-14(21)16(10)18/h10-12,14-16,21-22H,3-9H2,1-2H3/t10-,11-,12?,14+,15-,16+,18-,19-/m0/s1	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	1.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tampa Curated by ChEMBL					Assay Description Inhibition of aromatase (unknown origin) using dibenzylfluorescein as substrate after 30 mins by fluorescence assay				J Nat Prod 76: 1966-9 (2013) Article DOI: 10.1021/np400585t BindingDB Entry DOI: 10.7270/Q2N87C7M
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50441295 (CHEMBL2431524) Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)[C@@H](O)C(=O)CC[C@]34C)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C19H28O4/c1-17-8-6-13-11(12(17)3-4-15(17)21)5-10-19(23)16(22)14(20)7-9-18(13,19)2/h11-13,16,22-23H,3-10H2,1-2H3/t11-,12-,13-,16-,17-,18+,19+/m0/s1	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	2.91E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tampa Curated by ChEMBL					Assay Description Inhibition of aromatase (unknown origin) using dibenzylfluorescein as substrate after 30 mins by fluorescence assay				J Nat Prod 76: 1966-9 (2013) Article DOI: 10.1021/np400585t BindingDB Entry DOI: 10.7270/Q2N87C7M
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50441294 (CHEMBL2431525) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4C(=O)C(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O |r| Show InChI InChI=1S/C19H28O3/c1-18-10-8-15(20)17(22)14(18)4-3-11-12-5-6-16(21)19(12,2)9-7-13(11)18/h11-14,16,21H,3-10H2,1-2H3/t11-,12-,13-,14?,16-,18+,19-/m0/s1	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	4.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tampa Curated by ChEMBL					Assay Description Inhibition of aromatase (unknown origin) using dibenzylfluorescein as substrate after 30 mins by fluorescence assay				J Nat Prod 76: 1966-9 (2013) Article DOI: 10.1021/np400585t BindingDB Entry DOI: 10.7270/Q2N87C7M
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50240798 ((8R,9S,10R,13S,14S)-4-Hydroxy-10,13-dimethyl-1,6,7...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4C(=O)C(=O)CC[C@]34C)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C19H26O3/c1-18-10-8-15(20)17(22)14(18)4-3-11-12-5-6-16(21)19(12,2)9-7-13(11)18/h11-14H,3-10H2,1-2H3/t11-,12-,13-,14?,18+,19-/m0/s1	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	5.86E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tampa Curated by ChEMBL					Assay Description Inhibition of aromatase (unknown origin) using dibenzylfluorescein as substrate after 30 mins by fluorescence assay				J Nat Prod 76: 1966-9 (2013) Article DOI: 10.1021/np400585t BindingDB Entry DOI: 10.7270/Q2N87C7M
					More data for this Ligand-Target Pair