Compile Data Set for Download or QSAR

Found 93 hits with Last Name = 'foster' and Initial = 'pa'   

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))	BDBM50539776 (CHEMBL4639677) Show SMILES CCC#CCOc1cc(Cn2ccnc2)c2c(c1)oc1ccccc1c2=O Show InChI InChI=1S/C22H18N2O3/c1-2-3-6-11-26-17-12-16(14-24-10-9-23-15-24)21-20(13-17)27-19-8-5-4-7-18(19)22(21)25/h4-5,7-10,12-13,15H,2,11,14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114569 BindingDB Entry DOI: 10.7270/Q251437D
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50539777 (CHEMBL4632445) Show SMILES CCC#CCOc1ccc2c(c1)oc1cc(Cn3ccnc3)ccc1c2=O Show InChI InChI=1S/C22H18N2O3/c1-2-3-4-11-26-17-6-8-19-21(13-17)27-20-12-16(5-7-18(20)22(19)25)14-24-10-9-23-15-24/h5-10,12-13,15H,2,11,14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114569 BindingDB Entry DOI: 10.7270/Q251437D
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50592781 (CHEMBL5203413) Show SMILES CC#CCOc1ccc2cc(oc2c1)C(c1ccc(cc1)C#N)n1cncn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114569 BindingDB Entry DOI: 10.7270/Q251437D
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10007 (4-[(6-methoxy-1-benzofuran-2-yl)(1H-1,2,4-triazol-...) Show SMILES COc1ccc2cc(oc2c1)C(c1ccc(cc1)C#N)n1cncn1 Show InChI InChI=1S/C19H14N4O2/c1-24-16-7-6-15-8-18(25-17(15)9-16)19(23-12-21-11-22-23)14-4-2-13(10-20)3-5-14/h2-9,11-12,19H,1H3	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	0.110	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114569 BindingDB Entry DOI: 10.7270/Q251437D
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10004 (1-[(4-fluorophenyl)(6-methoxy-1-benzofuran-2-yl)me...) Show SMILES COc1ccc2cc(oc2c1)C(c1ccc(F)cc1)n1cncn1 Show InChI InChI=1S/C18H14FN3O2/c1-23-15-7-4-13-8-17(24-16(13)9-15)18(22-11-20-10-21-22)12-2-5-14(19)6-3-12/h2-11,18H,1H3	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	0.150	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114569 BindingDB Entry DOI: 10.7270/Q251437D
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50592778 (CHEMBL5175340) Show SMILES Oc1ccc2cc(oc2c1)C(c1ccc(F)cc1)n1cncn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.390	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114569 BindingDB Entry DOI: 10.7270/Q251437D
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50608157 (CHEMBL5271052) Show SMILES COc1ccc2cc(oc2c1)C(O)(c1ccc(Br)cc1)c1cccnc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50592775 (CHEMBL5184004) Show SMILES CCOc1ccc2cc(oc2c1)C(c1ccc(Cl)cc1)n1cncn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114569 BindingDB Entry DOI: 10.7270/Q251437D
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10001 ((4-chlorophenyl)(6-methoxy-1-benzofuran-2-yl)pyrid...) Show SMILES COc1ccc2cc(oc2c1)C(O)(c1ccc(Cl)cc1)c1cccnc1 Show InChI InChI=1S/C21H16ClNO3/c1-25-18-9-4-14-11-20(26-19(14)12-18)21(24,16-3-2-10-23-13-16)15-5-7-17(22)8-6-15/h2-13,24H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10005 (1-[(4-chlorophenyl)(6-methoxy-1-benzofuran-2-yl)me...) Show SMILES COc1ccc2cc(oc2c1)C(c1ccc(Cl)cc1)n1cncn1 Show InChI InChI=1S/C18H14ClN3O2/c1-23-15-7-4-13-8-17(24-16(13)9-15)18(22-11-20-10-21-22)12-2-5-14(19)6-3-12/h2-11,18H,1H3	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	0.470	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114569 BindingDB Entry DOI: 10.7270/Q251437D
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50592780 (CHEMBL5177269) Show SMILES CCC#CCOc1ccc2cc(oc2c1)C(c1ccc(F)cc1)n1cncn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.510	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114569 BindingDB Entry DOI: 10.7270/Q251437D
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50592777 (CHEMBL5174567) Show SMILES CC#CCOc1ccc2cc(oc2c1)C(c1ccc(Cl)cc1)n1cncn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114569 BindingDB Entry DOI: 10.7270/Q251437D
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10013 (4-[(6-Hydroxybenzofuran-2-yl)-[1,2,4]triazol-1-ylm...) Show SMILES Oc1ccc2cc(oc2c1)C(c1ccc(cc1)C#N)n1cncn1 Show InChI InChI=1S/C18H12N4O2/c19-9-12-1-3-13(4-2-12)18(22-11-20-10-21-22)17-7-14-5-6-15(23)8-16(14)24-17/h1-8,10-11,18,23H	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	0.560	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114569 BindingDB Entry DOI: 10.7270/Q251437D
					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	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114569 BindingDB Entry DOI: 10.7270/Q251437D
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50592782 (CHEMBL5179009) Show SMILES CCC#CCOc1ccc2cc(oc2c1)C(c1ccc(cc1)C#N)n1cncn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.720	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114569 BindingDB Entry DOI: 10.7270/Q251437D
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10000 ((4-fluorophenyl)(6-methoxy-1-benzofuran-2-yl)pyrid...) Show SMILES COc1ccc2cc(oc2c1)C(O)(c1ccc(F)cc1)c1cccnc1 Show InChI InChI=1S/C21H16FNO3/c1-25-18-9-4-14-11-20(26-19(14)12-18)21(24,16-3-2-10-23-13-16)15-5-7-17(22)8-6-15/h2-13,24H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	0.740	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50539775 (CHEMBL4634777) Show SMILES CCC#CCOc1cc(Cn2ccnc2)c2oc3ccccc3c(=O)c2c1 Show InChI InChI=1S/C22H18N2O3/c1-2-3-6-11-26-17-12-16(14-24-10-9-23-15-24)22-19(13-17)21(25)18-7-4-5-8-20(18)27-22/h4-5,7-10,12-13,15H,2,11,14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.770	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114569 BindingDB Entry DOI: 10.7270/Q251437D
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10012 (2-[(4-Chlorophenyl)-[1,2,4]triazol-1-ylmethyl]benz...) Show SMILES Oc1ccc2cc(oc2c1)C(c1ccc(Cl)cc1)n1cncn1 Show InChI InChI=1S/C17H12ClN3O2/c18-13-4-1-11(2-5-13)17(21-10-19-9-20-21)16-7-12-3-6-14(22)8-15(12)23-16/h1-10,17,22H	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	0.790	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114569 BindingDB Entry DOI: 10.7270/Q251437D
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50608161 (CHEMBL5283822) Show SMILES CC#CCOc1ccc2cc(oc2c1)C(O)(c1ccc(Br)cc1)c1cccnc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	0.830	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50608164 (CHEMBL5280326) Show SMILES CCC#CCOc1ccc2cc(oc2c1)C(O)(c1ccc(Cl)cc1)c1cccnc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	0.920	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50592776 (CHEMBL5197552) Show SMILES Clc1ccc(cc1)C(c1cc2ccc(OCC#C)cc2o1)n1cncn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114569 BindingDB Entry DOI: 10.7270/Q251437D
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50608160 (CHEMBL5272700) Show SMILES CC#CCOc1ccc2cc(oc2c1)C(O)(c1ccc(Cl)cc1)c1cccnc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50167323 (CHEMBL3797224) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)C2CCCCC2)cc1 Show InChI InChI=1S/C13H18N2O4S/c14-20(17,18)19-12-8-6-11(7-9-12)15-13(16)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,15,16)(H2,14,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Sharjah Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human JEG-3 cells assessed as [14C]-Estrone formation using [3H]E1S as substrate				Bioorg Med Chem 24: 2762-7 (2016) Article DOI: 10.1016/j.bmc.2016.04.040 BindingDB Entry DOI: 10.7270/Q2XD13KC
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50608158 (CHEMBL5278036) Show SMILES COc1ccc2cc(oc2c1)C(O)(c1cccnc1)c1ccc(Cl)cc1Cl Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50592770 (CHEMBL5186519) Show SMILES COc1ccc2oc(cc2c1)C(c1ccc(Cl)cc1)n1cncn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114569 BindingDB Entry DOI: 10.7270/Q251437D
					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	2.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Sharjah Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human JEG3 cells using [3H] E1S as substrate incubated for 20 hrs by scintillation spectrometry analysis				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115406 BindingDB Entry DOI: 10.7270/Q2ZG6WSG
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50592768 (CHEMBL5205534) Show SMILES CCC#CCOc1ccc2cc(oc2c1)C(c1ccc(Cl)cc1)n1cncn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114569 BindingDB Entry DOI: 10.7270/Q251437D
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50592779 (CHEMBL5173597) Show SMILES CC#CCOc1ccc2cc(oc2c1)C(c1ccc(F)cc1)n1cncn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114569 BindingDB Entry DOI: 10.7270/Q251437D
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50608165 (CHEMBL5277776) Show SMILES CCC#CCOc1ccc2cc(oc2c1)C(O)(c1ccc(Br)cc1)c1cccnc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50528717 (CHEMBL4461896) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(CC2)c2ccc(Cl)cc2)cc1F Show InChI InChI=1S/C17H18ClFN4O4S/c18-12-1-4-14(5-2-12)22-7-9-23(10-8-22)17(24)21-13-3-6-16(15(19)11-13)27-28(20,25)26/h1-6,11H,7-10H2,(H,21,24)(H2,20,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human JEG3 cell using [3H] E1S as substrate after 1 hr by scintillation spectrometry analysis				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111614 BindingDB Entry DOI: 10.7270/Q2VX0M04
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50592769 (CHEMBL5178202) Show SMILES Oc1ccc2oc(cc2c1)C(c1ccc(Cl)cc1)n1cncn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114569 BindingDB Entry DOI: 10.7270/Q251437D
					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	6.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Sharjah Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human JEG3 cell lysates using [3H] E1S as substrate after 1 hr by scintillation spectrometry analysis				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115406 BindingDB Entry DOI: 10.7270/Q2ZG6WSG
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50528715 (CHEMBL4554860) Show SMILES CCCCCCCCN1CCN(CC1)C(=O)Nc1ccc(OS(N)(=O)=O)c(F)c1 Show InChI InChI=1S/C19H31FN4O4S/c1-2-3-4-5-6-7-10-23-11-13-24(14-12-23)19(25)22-16-8-9-18(17(20)15-16)28-29(21,26)27/h8-9,15H,2-7,10-14H2,1H3,(H,22,25)(H2,21,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human JEG3 cell using [3H] E1S as substrate after 1 hr by scintillation spectrometry analysis				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111614 BindingDB Entry DOI: 10.7270/Q2VX0M04
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50608159 (CHEMBL5270023) Show SMILES CC#CCOc1ccc2cc(oc2c1)C(O)(c1ccc(F)cc1)c1cccnc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50608162 (CHEMBL5287457) Show SMILES CC#CCOc1ccc2cc(oc2c1)C(O)(c1cccnc1)c1ccc(Cl)cc1Cl Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50608163 (CHEMBL5274335) Show SMILES CCC#CCOc1ccc2cc(oc2c1)C(O)(c1ccc(F)cc1)c1cccnc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50608166 (CHEMBL5265932) Show SMILES CCC#CCOc1ccc2cc(oc2c1)C(O)(c1cccnc1)c1ccc(Cl)cc1Cl Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50398452 (CHEMBL2179110) Show SMILES CCC#CCO[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)C=CC(=O)C=C12 |r,c:23,t:27| Show InChI InChI=1S/C24H30O3/c1-4-5-6-13-27-21-15-17-18-7-8-22(26)24(18,3)12-10-19(17)23(2)11-9-16(25)14-20(21)23/h9,11,14,17-19,21H,4,7-8,10,12-13,15H2,1-3H3/t17-,18-,19-,21+,23+,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114569 BindingDB Entry DOI: 10.7270/Q251437D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Steryl-sulfatase (Homo sapiens (Human))	BDBM50541451 (CHEMBL4635151) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 |TLB:10:12:15:19.17.18,THB:17:16:13:19.18.20,17:18:15.16.21:13,20:18:15:21.12.13,20:12:15:19.17.18| Show InChI InChI=1S/C17H22N2O4S/c18-24(21,22)23-15-3-1-14(2-4-15)19-16(20)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,19,20)(H2,18,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of Sharjah Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human JEG3 cells using [3H] E1S as substrate incubated for 20 hrs by scintillation spectrometry analysis				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115406 BindingDB Entry DOI: 10.7270/Q2ZG6WSG
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50171448 ((9BETA,14BETA,17BETA)-17-HYDROXY-2-METHOXYESTRA-1,...) Show SMILES COc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1OS(N)(=O)=O Show InChI InChI=1S/C19H27NO5S/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-17(25-26(20,22)23)16(24-2)10-14(11)12/h9-10,12-13,15,18,21H,3-8H2,1-2H3,(H2,20,22,23)/t12-,13+,15-,18-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase-mediated coversion of [3H]E1S to E1				J Med Chem 51: 1295-308 (2008) Article DOI: 10.1021/jm701319c BindingDB Entry DOI: 10.7270/Q2M0468S
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50528716 (CHEMBL4450604) Show SMILES Cc1cccc(N2CCN(CC2)C(=O)Nc2ccc(OS(N)(=O)=O)c(Cl)c2)c1C Show InChI InChI=1S/C19H23ClN4O4S/c1-13-4-3-5-17(14(13)2)23-8-10-24(11-9-23)19(25)22-15-6-7-18(16(20)12-15)28-29(21,26)27/h3-7,12H,8-11H2,1-2H3,(H,22,25)(H2,21,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human JEG3 cell using [3H] E1S as substrate after 1 hr by scintillation spectrometry analysis				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111614 BindingDB Entry DOI: 10.7270/Q2VX0M04
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50528718 (CHEMBL4531739) Show SMILES CCCCCCCCN1CCN(CC1)C(=O)Nc1ccc(OS(N)(=O)=O)c(Cl)c1 Show InChI InChI=1S/C19H31ClN4O4S/c1-2-3-4-5-6-7-10-23-11-13-24(14-12-23)19(25)22-16-8-9-18(17(20)15-16)28-29(21,26)27/h8-9,15H,2-7,10-14H2,1H3,(H,22,25)(H2,21,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human JEG3 cell using [3H] E1S as substrate after 1 hr by scintillation spectrometry analysis				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111614 BindingDB Entry DOI: 10.7270/Q2VX0M04
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50014323 (2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | 2-Phenyl-benzo...) Show SMILES O=c1cc(oc2c3ccccc3ccc12)-c1ccccc1 Show InChI InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50014323 (2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | 2-Phenyl-benzo...) Show SMILES O=c1cc(oc2c3ccccc3ccc12)-c1ccccc1 Show InChI InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114569 BindingDB Entry DOI: 10.7270/Q251437D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aromatase (Homo sapiens (Human))	BDBM50592771 (CHEMBL5204674) Show SMILES CCC#CCOc1ccc2oc(cc2c1)C(c1ccc(Cl)cc1)n1cncn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114569 BindingDB Entry DOI: 10.7270/Q251437D
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50541453 (CHEMBL4637433) Show SMILES NS(=O)(=O)Oc1ccc(cc1Cl)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:14:15:18:22.20.21,THB:20:19:16:22.21.23,20:21:18.19.24:16,23:21:18:24.15.16,23:15:18:22.20.21| Show InChI InChI=1S/C17H21ClN2O4S/c18-14-6-13(1-2-15(14)24-25(19,22)23)16(21)20-17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12H,3-5,7-9H2,(H,20,21)(H2,19,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
University of Sharjah Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human JEG3 cell lysates using [3H] E1S as substrate after 1 hr by scintillation spectrometry analysis				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115406 BindingDB Entry DOI: 10.7270/Q2ZG6WSG
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50592772 (CHEMBL5175025) Show SMILES Oc1ccc(cc1)C(c1cc2cc(Cl)ccc2o1)n1cncn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114569 BindingDB Entry DOI: 10.7270/Q251437D
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50528712 (CHEMBL4471248) Show SMILES CCCCCCCCCCN1CCN(CC1)C(=O)Nc1ccc(OS(N)(=O)=O)cc1 Show InChI InChI=1S/C21H36N4O4S/c1-2-3-4-5-6-7-8-9-14-24-15-17-25(18-16-24)21(26)23-19-10-12-20(13-11-19)29-30(22,27)28/h10-13H,2-9,14-18H2,1H3,(H,23,26)(H2,22,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human JEG3 cell using [3H] E1S as substrate after 1 hr by scintillation spectrometry analysis				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111614 BindingDB Entry DOI: 10.7270/Q2VX0M04
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50200936 ((9BETA,13ALPHA,14BETA,17ALPHA)-2-METHOXYESTRA-1,3,...) Show SMILES COc1cc2[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CCc2cc1OS(N)(=O)=O)OS(N)(=O)=O |r| Show InChI InChI=1S/C19H28N2O7S2/c1-19-8-7-12-13(15(19)5-6-18(19)28-30(21,24)25)4-3-11-9-17(27-29(20,22)23)16(26-2)10-14(11)12/h9-10,12-13,15,18H,3-8H2,1-2H3,(H2,20,22,23)(H2,21,24,25)/t12-,13+,15-,18-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase-mediated coversion of [3H]E1S to E1				J Med Chem 51: 1295-308 (2008) Article DOI: 10.1021/jm701319c BindingDB Entry DOI: 10.7270/Q2M0468S
					More data for this Ligand-Target Pair

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