Compile Data Set for Download or QSAR

Found 711 hits with Last Name = 'pezzuto' and Initial = 'jm'   

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))	BDBM19461 (α-CA inhibitor, 5 | 5,7-dihydroxy-2-(4-hydrox...) Show SMILES Oc1ccc(cc1)C1CC(=O)c2c(O)cc(O)cc2O1 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	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	0.00110	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Central Institute of Medicinal and Aromatic Plants					Assay Description Inhibition assay using aromatase enzyme.				Chem Biol Drug Des 80: 616-624 (2012) Article DOI: 10.1111/j.1747-0285.2012.01439.x BindingDB Entry DOI: 10.7270/Q24X56CG
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM92556 (Neoflavonoid, 8) Show SMILES COc1cc(cc(OC)c1O)C1CC(=O)Oc2cc3OCOc3cc12 Show InChI InChI=1S/C18H16O7/c1-21-15-3-9(4-16(22-2)18(15)20)10-6-17(19)25-12-7-14-13(5-11(10)12)23-8-24-14/h3-5,7,10,20H,6,8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	0.00182	n/a	1.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
Central Institute of Medicinal and Aromatic Plants					Assay Description Inhibition assay using aromatase enzyme.				Chem Biol Drug Des 80: 616-624 (2012) Article DOI: 10.1111/j.1747-0285.2012.01439.x BindingDB Entry DOI: 10.7270/Q24X56CG
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM92555 (Neoflavonoid, 7) Show SMILES COc1cc(cc(OC)c1OC)C1CC(=O)Oc2cc3OCOc3cc12 Show InChI InChI=1S/C19H18O7/c1-21-16-4-10(5-17(22-2)19(16)23-3)11-7-18(20)26-13-8-15-14(6-12(11)13)24-9-25-15/h4-6,8,11H,7,9H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	0.00216	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Institute of Medicinal and Aromatic Plants					Assay Description Inhibition assay using aromatase enzyme.				Chem Biol Drug Des 80: 616-624 (2012) Article DOI: 10.1111/j.1747-0285.2012.01439.x BindingDB Entry DOI: 10.7270/Q24X56CG
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM92557 (Neoflavonoid, 9) Show SMILES COc1cc(cc(OC)c1OC(C)=O)C1CC(=O)Oc2cc3OCOc3cc12 Show InChI InChI=1S/C20H18O8/c1-10(21)27-20-17(23-2)4-11(5-18(20)24-3)12-7-19(22)28-14-8-16-15(6-13(12)14)25-9-26-16/h4-6,8,12H,7,9H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.00256	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Institute of Medicinal and Aromatic Plants					Assay Description Inhibition assay using aromatase enzyme.				Chem Biol Drug Des 80: 616-624 (2012) Article DOI: 10.1111/j.1747-0285.2012.01439.x BindingDB Entry DOI: 10.7270/Q24X56CG
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM92559 (Neoflavonoid, 11) Show SMILES COc1cc(OC)c2C(CC(=O)Oc2c1)c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C20H22O7/c1-22-12-8-14(23-2)19-13(10-18(21)27-15(19)9-12)11-6-16(24-3)20(26-5)17(7-11)25-4/h6-9,13H,10H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.00425	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Institute of Medicinal and Aromatic Plants					Assay Description Inhibition assay using aromatase enzyme.				Chem Biol Drug Des 80: 616-624 (2012) Article DOI: 10.1111/j.1747-0285.2012.01439.x BindingDB Entry DOI: 10.7270/Q24X56CG
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM92560 (Neoflavonoid, 19) Show SMILES COc1cc(cc(OC)c1OC)C1CC(=O)Nc2cc3OCOc3cc12 Show InChI InChI=1S/C19H19NO6/c1-22-16-4-10(5-17(23-2)19(16)24-3)11-7-18(21)20-13-8-15-14(6-12(11)13)25-9-26-15/h4-6,8,11H,7,9H2,1-3H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	0.00597	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Institute of Medicinal and Aromatic Plants					Assay Description Inhibition assay using aromatase enzyme.				Chem Biol Drug Des 80: 616-624 (2012) Article DOI: 10.1111/j.1747-0285.2012.01439.x BindingDB Entry DOI: 10.7270/Q24X56CG
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM92558 (Neoflavonoid, 10) Show SMILES COc1ccc2C(CC(=O)Oc2c1)c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C19H20O6/c1-21-12-5-6-13-14(10-18(20)25-15(13)9-12)11-7-16(22-2)19(24-4)17(8-11)23-3/h5-9,14H,10H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.00838	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Institute of Medicinal and Aromatic Plants					Assay Description Inhibition assay using aromatase enzyme.				Chem Biol Drug Des 80: 616-624 (2012) Article DOI: 10.1111/j.1747-0285.2012.01439.x BindingDB Entry DOI: 10.7270/Q24X56CG
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM92561 (Neoflavonoid, 20) Show SMILES COc1cc(cc(OC)c1O)C1CC(=O)Nc2cc3OCOc3cc12 Show InChI InChI=1S/C18H17NO6/c1-22-15-3-9(4-16(23-2)18(15)21)10-6-17(20)19-12-7-14-13(5-11(10)12)24-8-25-14/h3-5,7,10,21H,6,8H2,1-2H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	0.0118	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Institute of Medicinal and Aromatic Plants					Assay Description Inhibition assay using aromatase enzyme.				Chem Biol Drug Des 80: 616-624 (2012) Article DOI: 10.1111/j.1747-0285.2012.01439.x BindingDB Entry DOI: 10.7270/Q24X56CG
					More data for this Ligand-Target Pair
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	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Competitive inhibition of human aromatase using dibenzylfluorescein substrate after 10 mins preincubation measured every 10 sec for 5 mins by Michael...				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					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	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Competitive inhibition of human aromatase using dibenzylfluorescein substrate after 10 mins preincubation measured every 10 sec for 5 mins by Michael...				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366125 (CHEMBL1957214) Show SMILES c1sc(nc1-c1cccnc1)-c1ccncc1 Show InChI InChI=1S/C13H9N3S/c1-2-11(8-15-5-1)12-9-17-13(16-12)10-3-6-14-7-4-10/h1-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Competitive inhibition of human aromatase using dibenzylfluorescein substrate after 10 mins preincubation measured every 10 sec for 5 mins by Michael...				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10015 (2-[3-(1-cyano-1-methylethyl)-5-(1H-1,2,4-triazol-1...) Show SMILES CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)C(C)(C)C#N Show InChI InChI=1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3	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	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Competitive inhibition of human aromatase using dibenzylfluorescein substrate after 10 mins preincubation measured every 10 sec for 5 mins by Michael...				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366128 (CHEMBL1957217) Show SMILES COc1cc(ccn1)-c1nc(cs1)-c1cccnc1 Show InChI InChI=1S/C14H11N3OS/c1-18-13-7-10(4-6-16-13)14-17-12(9-19-14)11-3-2-5-15-8-11/h2-9H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Competitive inhibition of human aromatase using dibenzylfluorescein substrate after 10 mins preincubation measured every 10 sec for 5 mins by Michael...				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366129 (CHEMBL1957218) Show SMILES Cc1cnccc1-c1nc(cs1)-c1cccnc1 Show InChI InChI=1S/C14H11N3S/c1-10-7-16-6-4-12(10)14-17-13(9-18-14)11-3-2-5-15-8-11/h2-9H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Competitive inhibition of human aromatase using dibenzylfluorescein substrate after 10 mins preincubation measured every 10 sec for 5 mins by Michael...				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366127 (CHEMBL1957216) Show SMILES Clc1cc(ccn1)-c1nc(cs1)-c1cccnc1 Show InChI InChI=1S/C13H8ClN3S/c14-12-6-9(3-5-16-12)13-17-11(8-18-13)10-2-1-4-15-7-10/h1-8H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Competitive inhibition of human aromatase using dibenzylfluorescein substrate after 10 mins preincubation measured every 10 sec for 5 mins by Michael...				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366134 (CHEMBL1957223) Show SMILES COc1ccc(cn1)-c1csc(n1)-c1cccnc1 Show InChI InChI=1S/C14H11N3OS/c1-18-13-5-4-10(8-16-13)12-9-19-14(17-12)11-3-2-6-15-7-11/h2-9H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Competitive inhibition of human aromatase using dibenzylfluorescein substrate after 10 mins preincubation measured every 10 sec for 5 mins by Michael...				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366120 (CHEMBL1601919) Show SMILES c1sc(nc1-c1cccnc1)-c1ccccc1 Show InChI InChI=1S/C14H10N2S/c1-2-5-11(6-3-1)14-16-13(10-17-14)12-7-4-8-15-9-12/h1-10H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Competitive inhibition of human aromatase using dibenzylfluorescein substrate after 10 mins preincubation measured every 10 sec for 5 mins by Michael...				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366132 (CHEMBL1957221) Show SMILES COc1ccc(cn1)-c1csc(n1)-c1ccncc1 Show InChI InChI=1S/C14H11N3OS/c1-18-13-3-2-11(8-16-13)12-9-19-14(17-12)10-4-6-15-7-5-10/h2-9H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Competitive inhibition of human aromatase using dibenzylfluorescein substrate after 10 mins preincubation measured every 10 sec for 5 mins by Michael...				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366133 (CHEMBL1957222) Show SMILES CCOc1ccc(cn1)-c1csc(n1)-c1ccncc1 Show InChI InChI=1S/C15H13N3OS/c1-2-19-14-4-3-12(9-17-14)13-10-20-15(18-13)11-5-7-16-8-6-11/h3-10H,2H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Competitive inhibition of human aromatase using dibenzylfluorescein substrate after 10 mins preincubation measured every 10 sec for 5 mins by Michael...				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366122 (CHEMBL1957211) Show SMILES Clc1ccc(cc1)-c1nc(cs1)-c1cccnc1 Show InChI InChI=1S/C14H9ClN2S/c15-12-5-3-10(4-6-12)14-17-13(9-18-14)11-2-1-7-16-8-11/h1-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	234	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Competitive inhibition of human aromatase using dibenzylfluorescein substrate after 10 mins preincubation measured every 10 sec for 5 mins by Michael...				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366130 (CHEMBL1957219) Show SMILES Brc1ccc(cn1)-c1csc(n1)-c1ccncc1 Show InChI InChI=1S/C13H8BrN3S/c14-12-2-1-10(7-16-12)11-8-18-13(17-11)9-3-5-15-6-4-9/h1-8H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	285	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Competitive inhibition of human aromatase using dibenzylfluorescein substrate after 10 mins preincubation measured every 10 sec for 5 mins by Michael...				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366118 (CHEMBL1957208) Show SMILES Brc1cccc(c1)-c1nc(ns1)-c1cccnc1 Show InChI InChI=1S/C13H8BrN3S/c14-11-5-1-3-9(7-11)13-16-12(17-18-13)10-4-2-6-15-8-10/h1-8H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Competitive inhibition of human aromatase using dibenzylfluorescein substrate after 10 mins preincubation measured every 10 sec for 5 mins by Michael...				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366131 (CHEMBL1957220) Show SMILES Brc1ccc(cn1)-c1csc(n1)-c1cccnc1 Show InChI InChI=1S/C13H8BrN3S/c14-12-4-3-9(7-16-12)11-8-18-13(17-11)10-2-1-5-15-6-10/h1-8H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Competitive inhibition of human aromatase using dibenzylfluorescein substrate after 10 mins preincubation measured every 10 sec for 5 mins by Michael...				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366123 (CHEMBL1957212) Show SMILES Brc1ccc(cc1)-c1nc(cs1)-c1cccnc1 Show InChI InChI=1S/C14H9BrN2S/c15-12-5-3-10(4-6-12)14-17-13(9-18-14)11-2-1-7-16-8-11/h1-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.72E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Competitive inhibition of human aromatase using dibenzylfluorescein substrate after 10 mins preincubation measured every 10 sec for 5 mins by Michael...				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366126 (CHEMBL1957215) Show SMILES Oc1ccc(cc1)-c1nc(cs1)-c1cccnc1 Show InChI InChI=1S/C14H10N2OS/c17-12-5-3-10(4-6-12)14-16-13(9-18-14)11-2-1-7-15-8-11/h1-9,17H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Competitive inhibition of human aromatase using dibenzylfluorescein substrate after 10 mins preincubation measured every 10 sec for 5 mins by Michael...				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366119 (CHEMBL1957209) Show SMILES COc1cccc(c1)-c1nc(ns1)-c1cccnc1 Show InChI InChI=1S/C14H11N3OS/c1-18-12-6-2-4-10(8-12)14-16-13(17-19-14)11-5-3-7-15-9-11/h2-9H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.32E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Competitive inhibition of human aromatase using dibenzylfluorescein substrate after 10 mins preincubation measured every 10 sec for 5 mins by Michael...				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366121 (CHEMBL1957210) Show SMILES Fc1ccc(cc1)-c1nc(cs1)-c1cccnc1 Show InChI InChI=1S/C14H9FN2S/c15-12-5-3-10(4-6-12)14-17-13(9-18-14)11-2-1-7-16-8-11/h1-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Competitive inhibition of human aromatase using dibenzylfluorescein substrate after 10 mins preincubation measured every 10 sec for 5 mins by Michael...				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366124 (CHEMBL1957213) Show SMILES COc1ccc(cc1)-c1nc(cs1)-c1cccnc1 Show InChI InChI=1S/C15H12N2OS/c1-18-13-6-4-11(5-7-13)15-17-14(10-19-15)12-3-2-8-16-9-12/h2-10H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Competitive inhibition of human aromatase using dibenzylfluorescein substrate after 10 mins preincubation measured every 10 sec for 5 mins by Michael...				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM23926 ((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...) Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1 Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+	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	4.17E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Competitive inhibition of human aromatase using dibenzylfluorescein substrate after 10 mins preincubation measured every 10 sec for 5 mins by Michael...				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50057527 (4-(5-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(F)(F)F Show InChI InChI=1S/C16H11ClF3N3O2S/c17-11-3-1-10(2-4-11)14-9-15(16(18,19)20)22-23(14)12-5-7-13(8-6-12)26(21,24)25/h1-9H,(H2,21,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of COX2				J Nat Prod 65: 163-9 (2002) BindingDB Entry DOI: 10.7270/Q2J38TGV
					More data for this Ligand-Target Pair
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	2	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human aromatase using dibenzylfluorescein substrate preincubated for 30 mins measured after 30 mins by fluorescence assay				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.55	n/a	n/a	n/a	n/a	n/a	n/a
Tom's of Maine Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT7 receptor expressed in CHO cells				J Nat Prod 66: 535-7 (2003) Article DOI: 10.1021/np0205102 BindingDB Entry DOI: 10.7270/Q2CZ36WZ
					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	3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human aromatase using dibenzylfluorescein substrate preincubated for 30 mins measured after 30 mins by fluorescence assay				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366125 (CHEMBL1957214) Show SMILES c1sc(nc1-c1cccnc1)-c1ccncc1 Show InChI InChI=1S/C13H9N3S/c1-2-11(8-15-5-1)12-9-17-13(16-12)10-3-6-14-7-4-10/h1-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human aromatase using dibenzylfluorescein substrate preincubated for 30 mins measured after 30 mins by fluorescence assay				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10015 (2-[3-(1-cyano-1-methylethyl)-5-(1H-1,2,4-triazol-1...) Show SMILES CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)C(C)(C)C#N Show InChI InChI=1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3	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	8	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human aromatase using dibenzylfluorescein substrate preincubated for 30 mins measured after 30 mins by fluorescence assay				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
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	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawai'i at Hilo Curated by ChEMBL					Assay Description Inhibition of CYP19A1 (unknown origin) preincubated with NADPH followed by DBF substrate addition after 30 mins by fluorescence based assay				Bioorg Med Chem Lett 27: 5393-5399 (2017) Article DOI: 10.1016/j.bmcl.2017.11.010 BindingDB Entry DOI: 10.7270/Q26W9DNB
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM19459 (5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...) Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lausanne Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from human recombinant ERbeta				J Nat Prod 65: 1749-53 (2002) Article DOI: 10.1021/np0201164 BindingDB Entry DOI: 10.7270/Q2S46RQX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aromatase (Homo sapiens (Human))	BDBM50366128 (CHEMBL1957217) Show SMILES COc1cc(ccn1)-c1nc(cs1)-c1cccnc1 Show InChI InChI=1S/C14H11N3OS/c1-18-13-7-10(4-6-16-13)14-17-12(9-19-14)11-3-2-5-15-8-11/h2-9H,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	23	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human aromatase using dibenzylfluorescein substrate preincubated for 30 mins measured after 30 mins by fluorescence assay				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50322045 ((Z)-4-(1-(3,5-Dimethoxyphenyl)-3-(1H-imidazol-1-yl...) Show SMILES COc1cc(OC)cc(\C=C(/Cn2ccnc2)c2ccc(N)cc2)c1 Show InChI InChI=1S/C20H21N3O2/c1-24-19-10-15(11-20(12-19)25-2)9-17(13-23-8-7-22-14-23)16-3-5-18(21)6-4-16/h3-12,14H,13,21H2,1-2H3/b17-9+	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
Purdue University Curated by ChEMBL					Assay Description Inhibition of human aromatase preincubated with NADP+ for 10 mins before substrate addition measured after 30 mins				Bioorg Med Chem 18: 5352-66 (2010) Article DOI: 10.1016/j.bmc.2010.05.042 BindingDB Entry DOI: 10.7270/Q2PK0H4P
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50322044 ((Z)-1-(3-(3,5-Dimethoxyphenyl)-2-(4-nitrophenyl)al...) Show SMILES COc1cc(OC)cc(\C=C(/Cn2ccnc2)c2ccc(cc2)[N+]([O-])=O)c1 Show InChI InChI=1S/C20H19N3O4/c1-26-19-10-15(11-20(12-19)27-2)9-17(13-22-8-7-21-14-22)16-3-5-18(6-4-16)23(24)25/h3-12,14H,13H2,1-2H3/b17-9+	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	70	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human aromatase preincubated with NADP+ for 10 mins before substrate addition measured after 30 mins				Bioorg Med Chem 18: 5352-66 (2010) Article DOI: 10.1016/j.bmc.2010.05.042 BindingDB Entry DOI: 10.7270/Q2PK0H4P
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366129 (CHEMBL1957218) Show SMILES Cc1cnccc1-c1nc(cs1)-c1cccnc1 Show InChI InChI=1S/C14H11N3S/c1-10-7-16-6-4-12(10)14-17-13(9-18-14)11-3-2-5-15-8-11/h2-9H,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	78	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human aromatase using dibenzylfluorescein substrate preincubated for 30 mins measured after 30 mins by fluorescence assay				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM29227 (casimiroin analogue, 1p) Show SMILES COc1cc(OC)c2n(C)c(=O)cc(C)c2c1OC Show InChI InChI=1S/C14H17NO4/c1-8-6-11(16)15(2)13-9(17-3)7-10(18-4)14(19-5)12(8)13/h6-7H,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University					Assay Description Aromatase inhibition was quantified by measuring the fluorescent intensity of fluorescein, the hydrolysis product of dibenzylfluorescein (DBF), by ar...				J Med Chem 52: 1873-84 (2009) Article DOI: 10.1021/jm801335z BindingDB Entry DOI: 10.7270/Q2NP22RV
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50251003 (CHEMBL457679 | cid_5318585 | isolicoflavonol) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(ccc1-[#8])-c1oc2cc(-[#8])cc(-[#8])c2c(=O)c1-[#8] Show InChI InChI=1S/C20H18O6/c1-10(2)3-4-11-7-12(5-6-14(11)22)20-19(25)18(24)17-15(23)8-13(21)9-16(17)26-20/h3,5-9,21-23,25H,4H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of aromatase from human placental microsomes				J Nat Prod 64: 1286-93 (2001) BindingDB Entry DOI: 10.7270/Q2RB74C4
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50251002 ((2S)-2',4'-dihydroxy-2' '-(1-hydroxy-1-methylethyl...) Show SMILES CC(C)(O)C1Cc2c(O1)ccc1C(=O)C[C@H](Oc21)c1ccc(O)cc1O |r| Show InChI InChI=1S/C20H20O6/c1-20(2,24)18-8-13-16(25-18)6-5-12-15(23)9-17(26-19(12)13)11-4-3-10(21)7-14(11)22/h3-7,17-18,21-22,24H,8-9H2,1-2H3/t17-,18?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of aromatase from human placental microsomes				J Nat Prod 64: 1286-93 (2001) BindingDB Entry DOI: 10.7270/Q2RB74C4
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50347488 (CHEMBL1802205) Show SMILES COc1cc(Br)c(Br)c2nc3ccccc3nc12 Show InChI InChI=1S/C13H8Br2N2O/c1-18-10-6-7(14)11(15)13-12(10)16-8-4-2-3-5-9(8)17-13/h2-6H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human QR2 expressed in Escherichia coli BL21 (DE3) using MTT and NMeH as substrate assessed as formazan formation				J Med Chem 53: 8688-99 (2010) Article DOI: 10.1021/jm1011066 BindingDB Entry DOI: 10.7270/Q2TB178C
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366127 (CHEMBL1957216) Show SMILES Clc1cc(ccn1)-c1nc(cs1)-c1cccnc1 Show InChI InChI=1S/C13H8ClN3S/c14-12-6-9(3-5-16-12)13-17-11(8-18-13)10-2-1-4-15-7-10/h1-8H	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	164	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human aromatase using dibenzylfluorescein substrate preincubated for 30 mins measured after 30 mins by fluorescence assay				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50256053 (5-(2-(naphthalen-2-yl)but-1-enyl)benzene-1,3-diol ...) Show SMILES CC\C(=C/c1cc(O)cc(O)c1)c1ccc2ccccc2c1 Show InChI InChI=1S/C20H18O2/c1-2-15(9-14-10-19(21)13-20(22)11-14)18-8-7-16-5-3-4-6-17(16)12-18/h3-13,21-22H,2H2,1H3/b15-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of COX1				Bioorg Med Chem 17: 1044-54 (2009) Article DOI: 10.1016/j.bmc.2008.04.031 BindingDB Entry DOI: 10.7270/Q2WH2PRR
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50347486 (CHEMBL1802199) Show SMILES COc1c(Br)ccc2nc3ccccc3nc12 Show InChI InChI=1S/C13H9BrN2O/c1-17-13-8(14)6-7-11-12(13)16-10-5-3-2-4-9(10)15-11/h2-7H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	186	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human QR2 expressed in Escherichia coli BL21 (DE3) using MTT and NMeH as substrate assessed as formazan formation				J Med Chem 53: 8688-99 (2010) Article DOI: 10.1021/jm1011066 BindingDB Entry DOI: 10.7270/Q2TB178C
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50240895 (2-(1H-Imidazol-1-yl)-1-(4-nitrophenyl)ethanone | 2...) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Cn1ccnc1 Show InChI InChI=1S/C11H9N3O3/c15-11(7-13-6-5-12-8-13)9-1-3-10(4-2-9)14(16)17/h1-6,8H,7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human aromatase preincubated with NADP+ for 10 mins before substrate addition measured after 30 mins				Bioorg Med Chem 18: 5352-66 (2010) Article DOI: 10.1016/j.bmc.2010.05.042 BindingDB Entry DOI: 10.7270/Q2PK0H4P
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50361943 (CHEMBL1939366) Show SMILES c1cncc(c1)-c1nsc(n1)-c1cccnc1 Show InChI InChI=1S/C12H8N4S/c1-3-9(7-13-5-1)11-15-12(17-16-11)10-4-2-6-14-8-10/h1-8H	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	200	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human aromatase using dibenzylfluorescein as substrate preincubated for 30 mins measured after 2 hrs by fluorimetry				Bioorg Med Chem 20: 510-20 (2011) Article DOI: 10.1016/j.bmc.2011.09.031 BindingDB Entry DOI: 10.7270/Q2X067GF
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 711 total )  |  Next  |  Last  >>

Jump to: