Compile Data Set for Download or QSAR

Found 281 hits with Last Name = 'reed' and Initial = 'mj'   

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
Steryl-sulfatase (Homo sapiens (Human))	BDBM50366322 (CHEMBL2367489) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O[P@@](C)(S)=O)cc3CC[C@@]21[H] |r| Show InChI InChI=1S/C19H25O3PS/c1-19-10-9-15-14-6-4-13(22-23(2,21)24)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-17H,3,5,7-10H2,1-2H3,(H,21,24)/t15-,16-,17+,19+,23+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against estrone sulfatase in placental preparation				Bioorg Med Chem Lett 3: 313-318 (1993) Article DOI: 10.1016/S0960-894X(01)80900-8 BindingDB Entry DOI: 10.7270/Q2K074R2
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50366322 (CHEMBL2367489) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O[P@@](C)(S)=O)cc3CC[C@@]21[H] |r| Show InChI InChI=1S/C19H25O3PS/c1-19-10-9-15-14-6-4-13(22-23(2,21)24)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-17H,3,5,7-10H2,1-2H3,(H,21,24)/t15-,16-,17+,19+,23+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against estrone sulfatase in breast tumor preparations				Bioorg Med Chem Lett 3: 313-318 (1993) Article DOI: 10.1016/S0960-894X(01)80900-8 BindingDB Entry DOI: 10.7270/Q2K074R2
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2 (Rattus norvegicus)	BDBM50147505 ((2S,4aS,6aS,6bR,10S,12aS,14bR)-10-Hydroxy-2,4a,6a,...) Show SMILES CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)C2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(=O)NCCO |t:19| Show InChI InChI=1S/C32H51NO4/c1-27(2)23-8-11-32(7)25(30(23,5)10-9-24(27)36)22(35)18-20-21-19-29(4,26(37)33-16-17-34)13-12-28(21,3)14-15-31(20,32)6/h18,21,23-25,34,36H,8-17,19H2,1-7H3,(H,33,37)/t21-,23?,24-,25?,28+,29-,30-,31+,32+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.00400	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Percent inhibition against 11-beta-hydroxysteroid dehydrogenase 2 of wistar rat kidney at 10 microM was determined using [3H]-cortisol				Bioorg Med Chem Lett 14: 3263-7 (2004) Article DOI: 10.1016/j.bmcl.2004.03.107 BindingDB Entry DOI: 10.7270/Q2H41QWC
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50307918 (2-(5-((1H-1,2,4-triazol-1-yl)methyl)-3'-chloro-4'-...) Show SMILES CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)-c1ccc(O)c(Cl)c1 Show InChI InChI=1S/C19H17ClN4O/c1-19(2,10-21)16-6-13(9-24-12-22-11-23-24)5-15(7-16)14-3-4-18(25)17(20)8-14/h3-8,11-12,25H,9H2,1-2H3	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	0.100	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of aromatse in human JEG3 cells by scintillation spectrometry				J Med Chem 53: 2155-70 (2010) Article DOI: 10.1021/jm901705h BindingDB Entry DOI: 10.7270/Q2959JGF
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50307901 (5-((1H-1,2,4-triazol-1-yl)methyl)-3'-chloro-4'-hyd...) Show SMILES Oc1ccc(cc1Cl)-c1cc(Cn2cncn2)ccc1C#N Show InChI InChI=1S/C16H11ClN4O/c17-15-6-12(3-4-16(15)22)14-5-11(1-2-13(14)7-18)8-21-10-19-9-20-21/h1-6,9-10,22H,8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of aromatse in human JEG3 cells by scintillation spectrometry				J Med Chem 53: 2155-70 (2010) Article DOI: 10.1021/jm901705h BindingDB Entry DOI: 10.7270/Q2959JGF
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM24341 (4-{[(4-chloro-3-hydroxyphenyl)methyl](4H-1,2,4-tri...) Show SMILES Oc1cc(CN(c2ccc(cc2)C#N)n2cnnc2)ccc1Cl Show InChI InChI=1S/C16H12ClN5O/c17-15-6-3-13(7-16(15)23)9-22(21-10-19-20-11-21)14-4-1-12(8-18)2-5-14/h1-7,10-11,23H,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	7.5	37
University of Bath					Assay Description The extent of in vitro inhibition of aromatase activities was assessed using intact monolayers of JEG-3 cells. Aromatase activity was measured using ...				J Med Chem 50: 3540-60 (2007) Article DOI: 10.1021/jm061462b BindingDB Entry DOI: 10.7270/Q2348HP4
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50307900 (5-((1H-1,2,4-triazol-1-yl)methyl)-4'-hydroxybiphen...) Show SMILES Oc1ccc(cc1)-c1cc(Cn2cncn2)ccc1C#N Show InChI InChI=1S/C16H12N4O/c17-8-14-2-1-12(9-20-11-18-10-19-20)7-16(14)13-3-5-15(21)6-4-13/h1-7,10-11,21H,9H2	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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of aromatse in human JEG3 cells by scintillation spectrometry				J Med Chem 53: 2155-70 (2010) Article DOI: 10.1021/jm901705h BindingDB Entry DOI: 10.7270/Q2959JGF
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50307899 (5-((1H-1,2,4-triazol-1-yl)methyl)biphenyl-2-carbon...) Show SMILES N#Cc1ccc(Cn2cncn2)cc1-c1ccccc1 Show InChI InChI=1S/C16H12N4/c17-9-15-7-6-13(10-20-12-18-11-19-20)8-16(15)14-4-2-1-3-5-14/h1-8,11-12H,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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of aromatse in human JEG3 cells by scintillation spectrometry				J Med Chem 53: 2155-70 (2010) Article DOI: 10.1021/jm901705h BindingDB Entry DOI: 10.7270/Q2959JGF
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50307919 (5-((1H-1,2,4-triazol-1-yl)methyl)-3'-chlorobipheny...) Show SMILES Clc1cccc(c1)-c1cc(Cn2cncn2)ccc1C#N Show InChI InChI=1S/C16H11ClN4/c17-15-3-1-2-13(7-15)16-6-12(4-5-14(16)8-18)9-21-11-19-10-20-21/h1-7,10-11H,9H2	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	0.220	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of aromatse in human JEG3 cells by scintillation spectrometry				J Med Chem 53: 2155-70 (2010) Article DOI: 10.1021/jm901705h BindingDB Entry DOI: 10.7270/Q2959JGF
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50307902 (5-((1H-1,2,4-triazol-1-yl)methyl)-4'-chloro-3'-hyd...) Show SMILES Oc1cc(ccc1Cl)-c1cc(Cn2cncn2)ccc1C#N Show InChI InChI=1S/C16H11ClN4O/c17-15-4-3-12(6-16(15)22)14-5-11(1-2-13(14)7-18)8-21-10-19-9-20-21/h1-6,9-10,22H,8H2	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	0.220	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of aromatse in human JEG3 cells by scintillation spectrometry				J Med Chem 53: 2155-70 (2010) Article DOI: 10.1021/jm901705h BindingDB Entry DOI: 10.7270/Q2959JGF
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50307881 (3'-((1H-1,2,4-triazol-1-yl)methyl)-3-chloro-5'-(2-...) Show SMILES CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)-c1ccc(OS(N)(=O)=O)c(Cl)c1 Show InChI InChI=1S/C19H18ClN5O3S/c1-19(2,10-21)16-6-13(9-25-12-23-11-24-25)5-15(7-16)14-3-4-18(17(20)8-14)28-29(22,26)27/h3-8,11-12H,9H2,1-2H3,(H2,22,26,27)	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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of aromatse in human JEG3 cells by scintillation spectrometry				J Med Chem 53: 2155-70 (2010) Article DOI: 10.1021/jm901705h BindingDB Entry DOI: 10.7270/Q2959JGF
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM24328 (4-{[(4-hydroxy-3-iodophenyl)methyl](4H-1,2,4-triaz...) Show SMILES Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1I Show InChI InChI=1S/C16H12IN5O/c17-15-7-13(3-6-16(15)23)9-22(21-10-19-20-11-21)14-4-1-12(8-18)2-5-14/h1-7,10-11,23H,9H2	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	0.330	n/a	n/a	n/a	n/a	7.5	37
University of Bath					Assay Description The extent of in vitro inhibition of aromatase activities was assessed using intact monolayers of JEG-3 cells. Aromatase activity was measured using ...				J Med Chem 50: 3540-60 (2007) Article DOI: 10.1021/jm061462b BindingDB Entry DOI: 10.7270/Q2348HP4
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50307882 (5'-((1H-1,2,4-triazol-1-yl)methyl)-4-chloro-2'-cya...) Show SMILES NS(=O)(=O)Oc1cc(ccc1Cl)-c1cc(Cn2cncn2)ccc1C#N Show InChI InChI=1S/C16H12ClN5O3S/c17-15-4-3-12(6-16(15)25-26(19,23)24)14-5-11(1-2-13(14)7-18)8-22-10-20-9-21-22/h1-6,9-10H,8H2,(H2,19,23,24)	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	0.350	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of aromatse in human JEG3 cells by scintillation spectrometry				J Med Chem 53: 2155-70 (2010) Article DOI: 10.1021/jm901705h BindingDB Entry DOI: 10.7270/Q2959JGF
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM24344 (4-({[3-hydroxy-4-(trifluoromethyl)phenyl]methyl}(4...) Show SMILES Oc1cc(CN(c2ccc(cc2)C#N)n2cnnc2)ccc1C(F)(F)F Show InChI InChI=1S/C17H12F3N5O/c18-17(19,20)15-6-3-13(7-16(15)26)9-25(24-10-22-23-11-24)14-4-1-12(8-21)2-5-14/h1-7,10-11,26H,9H2	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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath					Assay Description The extent of in vitro inhibition of aromatase activities was assessed using intact monolayers of JEG-3 cells. Aromatase activity was measured using ...				J Med Chem 50: 3540-60 (2007) Article DOI: 10.1021/jm061462b BindingDB Entry DOI: 10.7270/Q2348HP4
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50307883 (5'-((1H-1,2,4-triazol-1-yl)methyl)-2'-cyanobipheny...) Show SMILES CN(C)S(=O)(=O)Oc1ccc(cc1)-c1cc(Cn2cncn2)ccc1C#N Show InChI InChI=1S/C18H17N5O3S/c1-22(2)27(24,25)26-17-7-5-15(6-8-17)18-9-14(3-4-16(18)10-19)11-23-13-20-12-21-23/h3-9,12-13H,11H2,1-2H3	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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of aromatse in human JEG3 cells by scintillation spectrometry				J Med Chem 53: 2155-70 (2010) Article DOI: 10.1021/jm901705h BindingDB Entry DOI: 10.7270/Q2959JGF
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10016 (4-{[(4-bromophenyl)methyl](4H-1,2,4-triazol-4-yl)a...) Show SMILES Brc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1 Show InChI InChI=1S/C16H12BrN5/c17-15-5-1-14(2-6-15)10-22(21-11-19-20-12-21)16-7-3-13(9-18)4-8-16/h1-8,11-12H,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.5	37
University of Bath					Assay Description The extent of in vitro inhibition of aromatase activities was assessed using intact monolayers of JEG-3 cells. Aromatase activity was measured using ...				J Med Chem 50: 3540-60 (2007) Article DOI: 10.1021/jm061462b BindingDB Entry DOI: 10.7270/Q2348HP4
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10016 (4-{[(4-bromophenyl)methyl](4H-1,2,4-triazol-4-yl)a...) Show SMILES Brc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1 Show InChI InChI=1S/C16H12BrN5/c17-15-5-1-14(2-6-15)10-22(21-11-19-20-12-21)16-7-3-13(9-18)4-8-16/h1-8,11-12H,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.5	37
University of Bath					Assay Description The extent of in vitro inhibition of aromatase activities was assessed using intact monolayers of JEG-3 cells. Aromatase activity was measured using ...				J Med Chem 46: 3193-6 (2003) Article DOI: 10.1021/jm034033b BindingDB Entry DOI: 10.7270/Q2HT2MHG
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM24342 (4-{[(4-bromo-3-hydroxyphenyl)methyl](4H-1,2,4-tria...) Show SMILES Oc1cc(CN(c2ccc(cc2)C#N)n2cnnc2)ccc1Br Show InChI InChI=1S/C16H12BrN5O/c17-15-6-3-13(7-16(15)23)9-22(21-10-19-20-11-21)14-4-1-12(8-18)2-5-14/h1-7,10-11,23H,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.5	37
University of Bath					Assay Description The extent of in vitro inhibition of aromatase activities was assessed using intact monolayers of JEG-3 cells. Aromatase activity was measured using ...				J Med Chem 50: 3540-60 (2007) Article DOI: 10.1021/jm061462b BindingDB Entry DOI: 10.7270/Q2348HP4
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50307916 (2-(5-((1H-1,2,4-triazol-1-yl)methyl)biphenyl-3-yl)...) Show SMILES CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)-c1ccccc1 Show InChI InChI=1S/C19H18N4/c1-19(2,12-20)18-9-15(11-23-14-21-13-22-23)8-17(10-18)16-6-4-3-5-7-16/h3-10,13-14H,11H2,1-2H3	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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of aromatse in human JEG3 cells by scintillation spectrometry				J Med Chem 53: 2155-70 (2010) Article DOI: 10.1021/jm901705h BindingDB Entry DOI: 10.7270/Q2959JGF
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50307884 (3-CHLORO-2'-CYANO-5'-(1H-1,2,4-TRIAZOL-1-YLMETHYL)...) Show SMILES NS(=O)(=O)Oc1ccc(cc1Cl)-c1cc(Cn2cncn2)ccc1C#N Show InChI InChI=1S/C16H12ClN5O3S/c17-15-6-12(3-4-16(15)25-26(19,23)24)14-5-11(1-2-13(14)7-18)8-22-10-20-9-21-22/h1-6,9-10H,8H2,(H2,19,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of aromatse in human JEG3 cells by scintillation spectrometry				J Med Chem 53: 2155-70 (2010) Article DOI: 10.1021/jm901705h BindingDB Entry DOI: 10.7270/Q2959JGF
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM24332 (4-{[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl](4H...) Show SMILES COc1cc(CN(c2ccc(cc2)C#N)n2cnnc2)cc(Cl)c1O Show InChI InChI=1S/C17H14ClN5O2/c1-25-16-7-13(6-15(18)17(16)24)9-23(22-10-20-21-11-22)14-4-2-12(8-19)3-5-14/h2-7,10-11,24H,9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.510	n/a	n/a	n/a	n/a	7.5	37
University of Bath					Assay Description The extent of in vitro inhibition of aromatase activities was assessed using intact monolayers of JEG-3 cells. Aromatase activity was measured using ...				J Med Chem 50: 3540-60 (2007) Article DOI: 10.1021/jm061462b BindingDB Entry DOI: 10.7270/Q2348HP4
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM24340 (4-{[(4-fluoro-3-hydroxyphenyl)methyl](4H-1,2,4-tri...) Show SMILES Oc1cc(CN(c2ccc(cc2)C#N)n2cnnc2)ccc1F Show InChI InChI=1S/C16H12FN5O/c17-15-6-3-13(7-16(15)23)9-22(21-10-19-20-11-21)14-4-1-12(8-18)2-5-14/h1-7,10-11,23H,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.5	37
University of Bath					Assay Description The extent of in vitro inhibition of aromatase activities was assessed using intact monolayers of JEG-3 cells. Aromatase activity was measured using ...				J Med Chem 50: 3540-60 (2007) Article DOI: 10.1021/jm061462b BindingDB Entry DOI: 10.7270/Q2348HP4
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM24317 (4-[(R)-(3-bromo-4-hydroxyphenyl)(1H-1,2,4-triazol-...) Show SMILES Oc1ccc(cc1Br)[C@@H](c1ccc(cc1)C#N)n1cncn1 |r| Show InChI InChI=1S/C16H11BrN4O/c17-14-7-13(5-6-15(14)22)16(21-10-19-9-20-21)12-3-1-11(8-18)2-4-12/h1-7,9-10,16,22H/t16-/m1/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	0.600	n/a	n/a	n/a	n/a	7.5	37
University of Bath					Assay Description The extent of in vitro inhibition of aromatase activities was assessed using intact monolayers of JEG-3 cells. Aromatase activity was measured using ...				J Med Chem 51: 4226-38 (2008) Article DOI: 10.1021/jm800168s BindingDB Entry DOI: 10.7270/Q26W98DJ
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM24335 ((5-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino]m...) Show SMILES NS(=O)(=O)Oc1cc(CN(c2ccc(cc2)C#N)n2cnnc2)ccc1F Show InChI InChI=1S/C16H13FN6O3S/c17-15-6-3-13(7-16(15)26-27(19,24)25)9-23(22-10-20-21-11-22)14-4-1-12(8-18)2-5-14/h1-7,10-11H,9H2,(H2,19,24,25)	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	0.770	n/a	n/a	n/a	n/a	7.5	37
University of Bath					Assay Description The extent of in vitro inhibition of aromatase activities was assessed using intact monolayers of JEG-3 cells. Aromatase activity was measured using ...				J Med Chem 50: 3540-60 (2007) Article DOI: 10.1021/jm061462b BindingDB Entry DOI: 10.7270/Q2348HP4
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50307915 (6-((1H-1,2,4-triazol-1-yl)methyl)-3'-chloro-4'-hyd...) Show SMILES Oc1ccc(cc1Cl)-c1cc(ccc1Cn1cncn1)C#N Show InChI InChI=1S/C16H11ClN4O/c17-15-6-12(3-4-16(15)22)14-5-11(7-18)1-2-13(14)8-21-10-19-9-20-21/h1-6,9-10,22H,8H2	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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of aromatse in human JEG3 cells by scintillation spectrometry				J Med Chem 53: 2155-70 (2010) Article DOI: 10.1021/jm901705h BindingDB Entry DOI: 10.7270/Q2959JGF
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10020 ((2-bromo-4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl...) Show SMILES NS(=O)(=O)Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1Br Show InChI InChI=1S/C16H13BrN6O3S/c17-15-7-13(3-6-16(15)26-27(19,24)25)9-23(22-10-20-21-11-22)14-4-1-12(8-18)2-5-14/h1-7,10-11H,9H2,(H2,19,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.820	n/a	n/a	n/a	n/a	7.5	37
University of Bath					Assay Description The extent of in vitro inhibition of aromatase activities was assessed using intact monolayers of JEG-3 cells. Aromatase activity was measured using ...				J Med Chem 46: 3193-6 (2003) Article DOI: 10.1021/jm034033b BindingDB Entry DOI: 10.7270/Q2HT2MHG
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10020 ((2-bromo-4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl...) Show SMILES NS(=O)(=O)Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1Br Show InChI InChI=1S/C16H13BrN6O3S/c17-15-7-13(3-6-16(15)26-27(19,24)25)9-23(22-10-20-21-11-22)14-4-1-12(8-18)2-5-14/h1-7,10-11H,9H2,(H2,19,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.820	n/a	n/a	n/a	n/a	7.5	37
University of Bath					Assay Description The extent of in vitro inhibition of aromatase activities was assessed using intact monolayers of JEG-3 cells. Aromatase activity was measured using ...				J Med Chem 50: 3540-60 (2007) Article DOI: 10.1021/jm061462b BindingDB Entry DOI: 10.7270/Q2348HP4
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM24331 (4-({[4-hydroxy-3-(trifluoromethyl)phenyl]methyl}(4...) Show SMILES Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1C(F)(F)F Show InChI InChI=1S/C17H12F3N5O/c18-17(19,20)15-7-13(3-6-16(15)26)9-25(24-10-22-23-11-24)14-4-1-12(8-21)2-5-14/h1-7,10-11,26H,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.880	n/a	n/a	n/a	n/a	7.5	37
University of Bath					Assay Description The extent of in vitro inhibition of aromatase activities was assessed using intact monolayers of JEG-3 cells. Aromatase activity was measured using ...				J Med Chem 50: 3540-60 (2007) Article DOI: 10.1021/jm061462b BindingDB Entry DOI: 10.7270/Q2348HP4
					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	0.890	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of aromatse in human JEG3 cells by scintillation spectrometry				J Med Chem 53: 2155-70 (2010) Article DOI: 10.1021/jm901705h BindingDB Entry DOI: 10.7270/Q2959JGF
					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	0.890	n/a	n/a	n/a	n/a	7.5	37
University of Bath					Assay Description The extent of in vitro inhibition of aromatase activities was assessed using intact monolayers of JEG-3 cells. Aromatase activity was measured using ...				J Med Chem 51: 4226-38 (2008) Article DOI: 10.1021/jm800168s BindingDB Entry DOI: 10.7270/Q26W98DJ
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM24336 ((2-chloro-5-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-y...) Show SMILES NS(=O)(=O)Oc1cc(CN(c2ccc(cc2)C#N)n2cnnc2)ccc1Cl Show InChI InChI=1S/C16H13ClN6O3S/c17-15-6-3-13(7-16(15)26-27(19,24)25)9-23(22-10-20-21-11-22)14-4-1-12(8-18)2-5-14/h1-7,10-11H,9H2,(H2,19,24,25)	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	0.920	n/a	n/a	n/a	n/a	7.5	37
University of Bath					Assay Description The extent of in vitro inhibition of aromatase activities was assessed using intact monolayers of JEG-3 cells. Aromatase activity was measured using ...				J Med Chem 50: 3540-60 (2007) Article DOI: 10.1021/jm061462b BindingDB Entry DOI: 10.7270/Q2348HP4
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM24327 (4-{[(3-bromo-4-hydroxyphenyl)methyl](4H-1,2,4-tria...) Show SMILES Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1Br Show InChI InChI=1S/C16H12BrN5O/c17-15-7-13(3-6-16(15)23)9-22(21-10-19-20-11-21)14-4-1-12(8-18)2-5-14/h1-7,10-11,23H,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.5	37
University of Bath					Assay Description The extent of in vitro inhibition of aromatase activities was assessed using intact monolayers of JEG-3 cells. Aromatase activity was measured using ...				J Med Chem 50: 3540-60 (2007) Article DOI: 10.1021/jm061462b BindingDB Entry DOI: 10.7270/Q2348HP4
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM24343 (4-{[(3-hydroxy-4-methoxyphenyl)methyl](4H-1,2,4-tr...) Show SMILES COc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1O Show InChI InChI=1S/C17H15N5O2/c1-24-17-7-4-14(8-16(17)23)10-22(21-11-19-20-12-21)15-5-2-13(9-18)3-6-15/h2-8,11-12,23H,10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath					Assay Description The extent of in vitro inhibition of aromatase activities was assessed using intact monolayers of JEG-3 cells. Aromatase activity was measured using ...				J Med Chem 50: 3540-60 (2007) Article DOI: 10.1021/jm061462b BindingDB Entry DOI: 10.7270/Q2348HP4
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM13058 (6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...) Show SMILES NS(=O)(=O)Oc1ccc2c3CCCCCc3c(=O)oc2c1 Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	7.5	37
University of Bath					Assay Description The extent of in vitro inhibition of sulfatase activities was assessed using intact monolayers of JEG-3 cells. Sulfatase activity was measured using ...				J Med Chem 51: 4226-38 (2008) Article DOI: 10.1021/jm800168s BindingDB Entry DOI: 10.7270/Q26W98DJ
					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	1.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of aromatse in human JEG3 cells by scintillation spectrometry				J Med Chem 53: 2155-70 (2010) Article DOI: 10.1021/jm901705h BindingDB Entry DOI: 10.7270/Q2959JGF
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM13058 (6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...) Show SMILES NS(=O)(=O)Oc1ccc2c3CCCCCc3c(=O)oc2c1 Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human JEG3 cells by scintillation spectrometry				J Med Chem 53: 2155-70 (2010) Article DOI: 10.1021/jm901705h BindingDB Entry DOI: 10.7270/Q2959JGF
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM24320 ((4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino]m...) Show SMILES NS(=O)(=O)Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1I Show InChI InChI=1S/C16H13IN6O3S/c17-15-7-13(3-6-16(15)26-27(19,24)25)9-23(22-10-20-21-11-22)14-4-1-12(8-18)2-5-14/h1-7,10-11H,9H2,(H2,19,24,25)	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	1.5	n/a	n/a	n/a	n/a	7.5	37
University of Bath					Assay Description The extent of in vitro inhibition of aromatase activities was assessed using intact monolayers of JEG-3 cells. Aromatase activity was measured using ...				J Med Chem 50: 3540-60 (2007) Article DOI: 10.1021/jm061462b BindingDB Entry DOI: 10.7270/Q2348HP4
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM13058 (6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...) Show SMILES NS(=O)(=O)Oc1ccc2c3CCCCCc3c(=O)oc2c1 Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath					Assay Description The extent of in vitro inhibition of sulfatase activities was assessed using intact monolayers of JEG-3 cells. Sulfatase activity was measured using ...				J Med Chem 50: 3540-60 (2007) Article DOI: 10.1021/jm061462b BindingDB Entry DOI: 10.7270/Q2348HP4
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50307914 (6-((1H-1,2,4-triazol-1-yl)methyl)biphenyl-3-carbon...) Show SMILES N#Cc1ccc(Cn2cncn2)c(c1)-c1ccccc1 Show InChI InChI=1S/C16H12N4/c17-9-13-6-7-15(10-20-12-18-11-19-20)16(8-13)14-4-2-1-3-5-14/h1-8,11-12H,10H2	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	1.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of aromatse in human JEG3 cells by scintillation spectrometry				J Med Chem 53: 2155-70 (2010) Article DOI: 10.1021/jm901705h BindingDB Entry DOI: 10.7270/Q2959JGF
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM24316 (4-[(3-bromo-4-hydroxyphenyl)(1H-1,2,4-triazol-1-yl...) Show SMILES Oc1ccc(cc1Br)C(c1ccc(cc1)C#N)n1cncn1 Show InChI InChI=1S/C16H11BrN4O/c17-14-7-13(5-6-15(14)22)16(21-10-19-9-20-21)12-3-1-11(8-18)2-4-12/h1-7,9-10,16,22H	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	1.80	n/a	n/a	n/a	n/a	7.5	37
University of Bath					Assay Description The extent of in vitro inhibition of aromatase activities was assessed using intact monolayers of JEG-3 cells. Aromatase activity was measured using ...				J Med Chem 51: 4226-38 (2008) Article DOI: 10.1021/jm800168s BindingDB Entry DOI: 10.7270/Q26W98DJ
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50307885 (2'-((1H-1,2,4-triazol-1-yl)methyl)-3-chloro-5'-cya...) Show SMILES NS(=O)(=O)Oc1ccc(cc1Cl)-c1cc(ccc1Cn1cncn1)C#N Show InChI InChI=1S/C16H12ClN5O3S/c17-15-6-12(3-4-16(15)25-26(19,23)24)14-5-11(7-18)1-2-13(14)8-22-10-20-9-21-22/h1-6,9-10H,8H2,(H2,19,23,24)	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	1.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of aromatse in human JEG3 cells by scintillation spectrometry				J Med Chem 53: 2155-70 (2010) Article DOI: 10.1021/jm901705h BindingDB Entry DOI: 10.7270/Q2959JGF
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50307886 (5'-((1H-1,2,4-triazol-1-yl)methyl)-2'-cyanobipheny...) Show SMILES NS(=O)(=O)Oc1ccc(cc1)-c1cc(Cn2cncn2)ccc1C#N Show InChI InChI=1S/C16H13N5O3S/c17-8-14-2-1-12(9-21-11-19-10-20-21)7-16(14)13-3-5-15(6-4-13)24-25(18,22)23/h1-7,10-11H,9H2,(H2,18,22,23)	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	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of aromatse in human JEG3 cells by scintillation spectrometry				J Med Chem 53: 2155-70 (2010) Article DOI: 10.1021/jm901705h BindingDB Entry DOI: 10.7270/Q2959JGF
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10019 ((2-chloro-4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-y...) Show SMILES NS(=O)(=O)Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1Cl Show InChI InChI=1S/C16H13ClN6O3S/c17-15-7-13(3-6-16(15)26-27(19,24)25)9-23(22-10-20-21-11-22)14-4-1-12(8-18)2-5-14/h1-7,10-11H,9H2,(H2,19,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	7.5	37
University of Bath					Assay Description The extent of in vitro inhibition of aromatase activities was assessed using intact monolayers of JEG-3 cells. Aromatase activity was measured using ...				J Med Chem 50: 3540-60 (2007) Article DOI: 10.1021/jm061462b BindingDB Entry DOI: 10.7270/Q2348HP4
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10019 ((2-chloro-4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-y...) Show SMILES NS(=O)(=O)Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1Cl Show InChI InChI=1S/C16H13ClN6O3S/c17-15-7-13(3-6-16(15)26-27(19,24)25)9-23(22-10-20-21-11-22)14-4-1-12(8-18)2-5-14/h1-7,10-11H,9H2,(H2,19,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	7.5	37
University of Bath					Assay Description The extent of in vitro inhibition of aromatase activities was assessed using intact monolayers of JEG-3 cells. Aromatase activity was measured using ...				J Med Chem 46: 3193-6 (2003) Article DOI: 10.1021/jm034033b BindingDB Entry DOI: 10.7270/Q2HT2MHG
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50307887 (5'-((1H-1,2,4-triazol-1-yl)methyl)-3-chloro-2'-cya...) Show SMILES CN(C)S(=O)(=O)Oc1ccc(cc1Cl)-c1cc(Cn2cncn2)ccc1C#N Show InChI InChI=1S/C18H16ClN5O3S/c1-23(2)28(25,26)27-18-6-5-14(8-17(18)19)16-7-13(3-4-15(16)9-20)10-24-12-21-11-22-24/h3-8,11-12H,10H2,1-2H3	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	2.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of aromatse in human JEG3 cells by scintillation spectrometry				J Med Chem 53: 2155-70 (2010) Article DOI: 10.1021/jm901705h BindingDB Entry DOI: 10.7270/Q2959JGF
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM24326 (4-{[(3-chloro-4-hydroxyphenyl)methyl](4H-1,2,4-tri...) Show SMILES Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1Cl Show InChI InChI=1S/C16H12ClN5O/c17-15-7-13(3-6-16(15)23)9-22(21-10-19-20-11-21)14-4-1-12(8-18)2-5-14/h1-7,10-11,23H,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	7.5	37
University of Bath					Assay Description The extent of in vitro inhibition of aromatase activities was assessed using intact monolayers of JEG-3 cells. Aromatase activity was measured using ...				J Med Chem 50: 3540-60 (2007) Article DOI: 10.1021/jm061462b BindingDB Entry DOI: 10.7270/Q2348HP4
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM24339 (4-{[(3-hydroxyphenyl)methyl](4H-1,2,4-triazol-4-yl...) Show SMILES Oc1cccc(CN(c2ccc(cc2)C#N)n2cnnc2)c1 Show InChI InChI=1S/C16H13N5O/c17-9-13-4-6-15(7-5-13)21(20-11-18-19-12-20)10-14-2-1-3-16(22)8-14/h1-8,11-12,22H,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	7.5	37
University of Bath					Assay Description The extent of in vitro inhibition of aromatase activities was assessed using intact monolayers of JEG-3 cells. Aromatase activity was measured using ...				J Med Chem 50: 3540-60 (2007) Article DOI: 10.1021/jm061462b BindingDB Entry DOI: 10.7270/Q2348HP4
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM24329 (4-{[(4-hydroxy-3-methoxyphenyl)methyl](4H-1,2,4-tr...) Show SMILES COc1cc(CN(c2ccc(cc2)C#N)n2cnnc2)ccc1O Show InChI InChI=1S/C17H15N5O2/c1-24-17-8-14(4-7-16(17)23)10-22(21-11-19-20-12-21)15-5-2-13(9-18)3-6-15/h2-8,11-12,23H,10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	7.5	37
University of Bath					Assay Description The extent of in vitro inhibition of aromatase activities was assessed using intact monolayers of JEG-3 cells. Aromatase activity was measured using ...				J Med Chem 50: 3540-60 (2007) Article DOI: 10.1021/jm061462b BindingDB Entry DOI: 10.7270/Q2348HP4
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM24323 ((2-chloro-4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-y...) Show SMILES COc1cc(CN(c2ccc(cc2)C#N)n2cnnc2)cc(Cl)c1OS(N)(=O)=O Show InChI InChI=1S/C17H15ClN6O4S/c1-27-16-7-13(6-15(18)17(16)28-29(20,25)26)9-24(23-10-21-22-11-23)14-4-2-12(8-19)3-5-14/h2-7,10-11H,9H2,1H3,(H2,20,25,26)	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	2.90	n/a	n/a	n/a	n/a	7.5	37
University of Bath					Assay Description The extent of in vitro inhibition of aromatase activities was assessed using intact monolayers of JEG-3 cells. Aromatase activity was measured using ...				J Med Chem 50: 3540-60 (2007) Article DOI: 10.1021/jm061462b BindingDB Entry DOI: 10.7270/Q2348HP4
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM24325 (4-{[(3-fluoro-4-hydroxyphenyl)methyl](4H-1,2,4-tri...) Show SMILES Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1F Show InChI InChI=1S/C16H12FN5O/c17-15-7-13(3-6-16(15)23)9-22(21-10-19-20-11-21)14-4-1-12(8-18)2-5-14/h1-7,10-11,23H,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	7.5	37
University of Bath					Assay Description The extent of in vitro inhibition of aromatase activities was assessed using intact monolayers of JEG-3 cells. Aromatase activity was measured using ...				J Med Chem 50: 3540-60 (2007) Article DOI: 10.1021/jm061462b BindingDB Entry DOI: 10.7270/Q2348HP4
					More data for this Ligand-Target Pair

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