Compile Data Set for Download or QSAR

Found 106 hits with Last Name = 'tramontano' and Initial = 'a'   

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
Estrogen receptor beta (Homo sapiens (Human))	BDBM17292 ((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1	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	1.40	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to human ER beta				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM17292 ((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1	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	1.60	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to human ER alpha				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50194081 (9a-benzyl-7-hydroxy-4-methyl-1,2,9,9a-tetrahydro-3...) Show SMILES CC1=C2c3ccc(O)cc3CC2(Cc2ccccc2)CCC1=O |c:1| Show InChI InChI=1S/C21H20O2/c1-14-19(23)9-10-21(12-15-5-3-2-4-6-15)13-16-11-17(22)7-8-18(16)20(14)21/h2-8,11,22H,9-10,12-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to ERalpha L384M/M421G mutant				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50194080 (9a-(4-chlorobenzyl)-7-hydroxy-4-methyl-1,2,9,9a-te...) Show SMILES CC1=C2c3ccc(O)cc3CC2(Cc2ccc(Cl)cc2)CCC1=O |c:1| Show InChI InChI=1S/C21H19ClO2/c1-13-19(24)8-9-21(11-14-2-4-16(22)5-3-14)12-15-10-17(23)6-7-18(15)20(13)21/h2-7,10,23H,8-9,11-12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to ERalpha L384M/M421G mutant				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50194087 (1-{2-[4-(9a-benzyl-7-hydroxy-3-oxo-2,3,9,9a-tetrah...) Show SMILES Oc1ccc2C3=C(C(=O)CCC3(Cc3ccccc3)Cc2c1)c1ccc(OCCN2CCCCC2)cc1 |t:5| Show InChI InChI=1S/C33H35NO3/c35-27-11-14-29-26(21-27)23-33(22-24-7-3-1-4-8-24)16-15-30(36)31(32(29)33)25-9-12-28(13-10-25)37-20-19-34-17-5-2-6-18-34/h1,3-4,7-14,21,35H,2,5-6,15-20,22-23H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to ERalpha L384M/M421G mutant				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50194088 (9a-benzyl-4-butyl-7-hydroxy-1,2,9,9a-tetrahydro-3H...) Show SMILES CCCCC1=C2c3ccc(O)cc3CC2(Cc2ccccc2)CCC1=O |c:4| Show InChI InChI=1S/C24H26O2/c1-2-3-9-21-22(26)12-13-24(15-17-7-5-4-6-8-17)16-18-14-19(25)10-11-20(18)23(21)24/h4-8,10-11,14,25H,2-3,9,12-13,15-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to ERalpha L384M/M421G mutant				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50194091 (4-{2-[4-(9a-benzyl-7-hydroxy-3-oxo-2,3,9,9a-tetrah...) Show SMILES Oc1ccc2C3=C(C(=O)CCC3(Cc3ccccc3)Cc2c1)c1ccc(OCCN2CCOCC2)cc1 |t:5| Show InChI InChI=1S/C32H33NO4/c34-26-8-11-28-25(20-26)22-32(21-23-4-2-1-3-5-23)13-12-29(35)30(31(28)32)24-6-9-27(10-7-24)37-19-16-33-14-17-36-18-15-33/h1-11,20,34H,12-19,21-22H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to ERalpha L384M/M421G mutant				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50194084 (9a-benzyl-7-hydroxy-4-(4-hydroxyphenyl)-1,2,9,9a-t...) Show SMILES Oc1ccc(cc1)C1=C2c3ccc(O)cc3CC2(Cc2ccccc2)CCC1=O |c:8| Show InChI InChI=1S/C26H22O3/c27-20-8-6-18(7-9-20)24-23(29)12-13-26(15-17-4-2-1-3-5-17)16-19-14-21(28)10-11-22(19)25(24)26/h1-11,14,27-28H,12-13,15-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to ERalpha L384M/M421G mutant				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50194075 (9a-(4-chlorobenzyl)-7-hydroxy-4-[4-(2-piperidin-1-...) Show SMILES Oc1ccc2C3=C(C(=O)CCC3(Cc3ccc(Cl)cc3)Cc2c1)c1ccc(OCCN2CCCCC2)cc1 |t:5| Show InChI InChI=1S/C33H34ClNO3/c34-26-8-4-23(5-9-26)21-33-15-14-30(37)31(32(33)29-13-10-27(36)20-25(29)22-33)24-6-11-28(12-7-24)38-19-18-35-16-2-1-3-17-35/h4-13,20,36H,1-3,14-19,21-22H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to ERalpha L384M/M421G mutant				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50194076 (2-[4-(9a-benzyl-7-hydroxy-3-oxo-2,3,9,9a-tetrahydr...) Show SMILES CN(C)CCOc1ccc(cc1)C1=C2c3ccc(O)cc3CC2(Cc2ccccc2)CCC1=O |c:13| Show InChI InChI=1S/C30H31NO3/c1-31(2)16-17-34-25-11-8-22(9-12-25)28-27(33)14-15-30(19-21-6-4-3-5-7-21)20-23-18-24(32)10-13-26(23)29(28)30/h3-13,18,32H,14-17,19-20H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to ERalpha L384M/M421G mutant				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM17292 ((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1	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	46	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to ERalpha L384M/M421G mutant				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50194077 (9a-(4-fluorobenzyl)-6-methyl-8,9,9a,10-tetrahydroi...) Show SMILES CC1=C2c3ccc4[nH]ncc4c3CC2(Cc2ccc(F)cc2)CCC1=O |c:1| Show InChI InChI=1S/C22H19FN2O/c1-13-20(26)8-9-22(10-14-2-4-15(23)5-3-14)11-17-16(21(13)22)6-7-19-18(17)12-24-25-19/h2-7,12H,8-11H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to ERalpha L384M/M421G mutant				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50194084 (9a-benzyl-7-hydroxy-4-(4-hydroxyphenyl)-1,2,9,9a-t...) Show SMILES Oc1ccc(cc1)C1=C2c3ccc(O)cc3CC2(Cc2ccccc2)CCC1=O |c:8| Show InChI InChI=1S/C26H22O3/c27-20-8-6-18(7-9-20)24-23(29)12-13-26(15-17-4-2-1-3-5-17)16-19-14-21(28)10-11-22(19)25(24)26/h1-11,14,27-28H,12-13,15-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to human ER beta				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50194082 (9a-benzyl-6-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-8...) Show SMILES O=C1CCC2(Cc3ccccc3)Cc3c(ccc4n[nH]cc34)C2=C1c1ccc(OCCN2CCCCC2)cc1 |c:26| Show InChI InChI=1S/C34H35N3O2/c38-31-15-16-34(21-24-7-3-1-4-8-24)22-28-27(13-14-30-29(28)23-35-36-30)33(34)32(31)25-9-11-26(12-10-25)39-20-19-37-17-5-2-6-18-37/h1,3-4,7-14,23H,2,5-6,15-22H2,(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to ERalpha L384M/M421G mutant				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50194082 (9a-benzyl-6-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-8...) Show SMILES O=C1CCC2(Cc3ccccc3)Cc3c(ccc4n[nH]cc34)C2=C1c1ccc(OCCN2CCCCC2)cc1 |c:26| Show InChI InChI=1S/C34H35N3O2/c38-31-15-16-34(21-24-7-3-1-4-8-24)22-28-27(13-14-30-29(28)23-35-36-30)33(34)32(31)25-9-11-26(12-10-25)39-20-19-37-17-5-2-6-18-37/h1,3-4,7-14,23H,2,5-6,15-22H2,(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to human ER beta				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50194085 (9a-(2-fluorobenzyl)-6-methyl-8,9,9a,10-tetrahydroi...) Show SMILES CC1=C2c3ccc4[nH]ncc4c3CC2(Cc2ccccc2F)CCC1=O |c:1| Show InChI InChI=1S/C22H19FN2O/c1-13-20(26)8-9-22(10-14-4-2-3-5-18(14)23)11-16-15(21(13)22)6-7-19-17(16)12-24-25-19/h2-7,12H,8-11H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to ERalpha L384M/M421G mutant				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50194089 (9a-benzyl-6-methyl-8,9,9a,10-tetrahydroindeno[2,1-...) Show SMILES CC1=C2c3ccc4[nH]ncc4c3CC2(Cc2ccccc2)CCC1=O |c:1| Show InChI InChI=1S/C22H20N2O/c1-14-20(25)9-10-22(11-15-5-3-2-4-6-15)12-17-16(21(14)22)7-8-19-18(17)13-23-24-19/h2-8,13H,9-12H2,1H3,(H,23,24)	PDB UniProtKB/SwissProt 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
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to ERalpha L384M/M421G mutant				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50194087 (1-{2-[4-(9a-benzyl-7-hydroxy-3-oxo-2,3,9,9a-tetrah...) Show SMILES Oc1ccc2C3=C(C(=O)CCC3(Cc3ccccc3)Cc2c1)c1ccc(OCCN2CCCCC2)cc1 |t:5| Show InChI InChI=1S/C33H35NO3/c35-27-11-14-29-26(21-27)23-33(22-24-7-3-1-4-8-24)16-15-30(36)31(32(29)33)25-9-12-28(13-10-25)37-20-19-34-17-5-2-6-18-34/h1,3-4,7-14,21,35H,2,5-6,15-20,22-23H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to human ER beta				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50206441 (2-(2,4,5,7-tetrabromo-3-hydroxy-6-oxo-6H-xanthen-9...) Show SMILES OC(=O)c1ccccc1-c1c2cc(Br)c(O)c(Br)c2oc2c(Br)c(=O)c(Br)cc12 |(32.53,-16.69,;33.02,-15.23,;32,-14.07,;34.53,-14.92,;34.52,-13.38,;35.85,-12.6,;37.19,-13.36,;37.2,-14.9,;35.87,-15.67,;35.87,-17.21,;37.21,-17.96,;38.54,-17.19,;39.88,-17.94,;41.21,-17.16,;39.89,-19.5,;41.23,-20.26,;38.56,-20.28,;38.57,-21.82,;37.22,-19.51,;35.88,-20.29,;34.55,-19.52,;33.22,-20.3,;33.22,-21.84,;31.88,-19.53,;30.55,-20.3,;31.88,-17.98,;30.56,-17.2,;33.22,-17.24,;34.55,-17.98,)| Show InChI InChI=1S/C20H8Br4O5/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25/h1-6,25H,(H,27,28)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans recombinant GST-RmtA expressed in BL21 cells				J Med Chem 50: 1241-53 (2007) Article DOI: 10.1021/jm061213n BindingDB Entry DOI: 10.7270/Q29887TV
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50194084 (9a-benzyl-7-hydroxy-4-(4-hydroxyphenyl)-1,2,9,9a-t...) Show SMILES Oc1ccc(cc1)C1=C2c3ccc(O)cc3CC2(Cc2ccccc2)CCC1=O |c:8| Show InChI InChI=1S/C26H22O3/c27-20-8-6-18(7-9-20)24-23(29)12-13-26(15-17-4-2-1-3-5-17)16-19-14-21(28)10-11-22(19)25(24)26/h1-11,14,27-28H,12-13,15-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to human ER alpha				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50194091 (4-{2-[4-(9a-benzyl-7-hydroxy-3-oxo-2,3,9,9a-tetrah...) Show SMILES Oc1ccc2C3=C(C(=O)CCC3(Cc3ccccc3)Cc2c1)c1ccc(OCCN2CCOCC2)cc1 |t:5| Show InChI InChI=1S/C32H33NO4/c34-26-8-11-28-25(20-26)22-32(21-23-4-2-1-3-5-23)13-12-29(35)30(31(28)32)24-6-9-27(10-7-24)37-19-16-33-14-17-36-18-15-33/h1-11,20,34H,12-19,21-22H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to human ER beta				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50194088 (9a-benzyl-4-butyl-7-hydroxy-1,2,9,9a-tetrahydro-3H...) Show SMILES CCCCC1=C2c3ccc(O)cc3CC2(Cc2ccccc2)CCC1=O |c:4| Show InChI InChI=1S/C24H26O2/c1-2-3-9-21-22(26)12-13-24(15-17-7-5-4-6-8-17)16-18-14-19(25)10-11-20(18)23(21)24/h4-8,10-11,14,25H,2-3,9,12-13,15-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to human ER alpha				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50194088 (9a-benzyl-4-butyl-7-hydroxy-1,2,9,9a-tetrahydro-3H...) Show SMILES CCCCC1=C2c3ccc(O)cc3CC2(Cc2ccccc2)CCC1=O |c:4| Show InChI InChI=1S/C24H26O2/c1-2-3-9-21-22(26)12-13-24(15-17-7-5-4-6-8-17)16-18-14-19(25)10-11-20(18)23(21)24/h4-8,10-11,14,25H,2-3,9,12-13,15-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to human ER beta				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50194083 (9a-(4-fluorobenzyl)-6-methyl-8,9,9a,10-tetrahydrof...) Show SMILES CC1=C2c3ccc4nn[nH]c4c3CC2(Cc2ccc(F)cc2)CCC1=O |c:1| Show InChI InChI=1S/C21H18FN3O/c1-12-18(26)8-9-21(10-13-2-4-14(22)5-3-13)11-16-15(19(12)21)6-7-17-20(16)24-25-23-17/h2-7H,8-11H2,1H3,(H,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to ERalpha L384M/M421G mutant				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50194087 (1-{2-[4-(9a-benzyl-7-hydroxy-3-oxo-2,3,9,9a-tetrah...) Show SMILES Oc1ccc2C3=C(C(=O)CCC3(Cc3ccccc3)Cc2c1)c1ccc(OCCN2CCCCC2)cc1 |t:5| Show InChI InChI=1S/C33H35NO3/c35-27-11-14-29-26(21-27)23-33(22-24-7-3-1-4-8-24)16-15-30(36)31(32(29)33)25-9-12-28(13-10-25)37-20-19-34-17-5-2-6-18-34/h1,3-4,7-14,21,35H,2,5-6,15-20,22-23H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to human ER alpha				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50194090 (9a-(3-fluorobenzyl)-6-methyl-8,9,9a,10-tetrahydroi...) Show SMILES CC1=C2c3ccc4[nH]ncc4c3CC2(Cc2cccc(F)c2)CCC1=O |c:1| Show InChI InChI=1S/C22H19FN2O/c1-13-20(26)7-8-22(10-14-3-2-4-15(23)9-14)11-17-16(21(13)22)5-6-19-18(17)12-24-25-19/h2-6,9,12H,7-8,10-11H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to ERalpha L384M/M421G mutant				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50194081 (9a-benzyl-7-hydroxy-4-methyl-1,2,9,9a-tetrahydro-3...) Show SMILES CC1=C2c3ccc(O)cc3CC2(Cc2ccccc2)CCC1=O |c:1| Show InChI InChI=1S/C21H20O2/c1-14-19(23)9-10-21(12-15-5-3-2-4-6-15)13-16-11-17(22)7-8-18(16)20(14)21/h2-8,11,22H,9-10,12-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to human ER beta				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50194085 (9a-(2-fluorobenzyl)-6-methyl-8,9,9a,10-tetrahydroi...) Show SMILES CC1=C2c3ccc4[nH]ncc4c3CC2(Cc2ccccc2F)CCC1=O |c:1| Show InChI InChI=1S/C22H19FN2O/c1-13-20(26)8-9-22(10-14-4-2-3-5-18(14)23)11-16-15(21(13)22)6-7-19-17(16)12-24-25-19/h2-7,12H,8-11H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to human ER beta				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50194076 (2-[4-(9a-benzyl-7-hydroxy-3-oxo-2,3,9,9a-tetrahydr...) Show SMILES CN(C)CCOc1ccc(cc1)C1=C2c3ccc(O)cc3CC2(Cc2ccccc2)CCC1=O |c:13| Show InChI InChI=1S/C30H31NO3/c1-31(2)16-17-34-25-11-8-22(9-12-25)28-27(33)14-15-30(19-21-6-4-3-5-7-21)20-23-18-24(32)10-13-26(23)29(28)30/h3-13,18,32H,14-17,19-20H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to human ER beta				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50194082 (9a-benzyl-6-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-8...) Show SMILES O=C1CCC2(Cc3ccccc3)Cc3c(ccc4n[nH]cc34)C2=C1c1ccc(OCCN2CCCCC2)cc1 |c:26| Show InChI InChI=1S/C34H35N3O2/c38-31-15-16-34(21-24-7-3-1-4-8-24)22-28-27(13-14-30-29(28)23-35-36-30)33(34)32(31)25-9-11-26(12-10-25)39-20-19-37-17-5-2-6-18-37/h1,3-4,7-14,23H,2,5-6,15-22H2,(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to human ER alpha				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50194091 (4-{2-[4-(9a-benzyl-7-hydroxy-3-oxo-2,3,9,9a-tetrah...) Show SMILES Oc1ccc2C3=C(C(=O)CCC3(Cc3ccccc3)Cc2c1)c1ccc(OCCN2CCOCC2)cc1 |t:5| Show InChI InChI=1S/C32H33NO4/c34-26-8-11-28-25(20-26)22-32(21-23-4-2-1-3-5-23)13-12-29(35)30(31(28)32)24-6-9-27(10-7-24)37-19-16-33-14-17-36-18-15-33/h1-11,20,34H,12-19,21-22H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to human ER alpha				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50194077 (9a-(4-fluorobenzyl)-6-methyl-8,9,9a,10-tetrahydroi...) Show SMILES CC1=C2c3ccc4[nH]ncc4c3CC2(Cc2ccc(F)cc2)CCC1=O |c:1| Show InChI InChI=1S/C22H19FN2O/c1-13-20(26)8-9-22(10-14-2-4-15(23)5-3-14)11-17-16(21(13)22)6-7-19-18(17)12-24-25-19/h2-7,12H,8-11H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to human ER beta				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50194075 (9a-(4-chlorobenzyl)-7-hydroxy-4-[4-(2-piperidin-1-...) Show SMILES Oc1ccc2C3=C(C(=O)CCC3(Cc3ccc(Cl)cc3)Cc2c1)c1ccc(OCCN2CCCCC2)cc1 |t:5| Show InChI InChI=1S/C33H34ClNO3/c34-26-8-4-23(5-9-26)21-33-15-14-30(37)31(32(33)29-13-10-27(36)20-25(29)22-33)24-6-11-28(12-7-24)38-19-18-35-16-2-1-3-17-35/h4-13,20,36H,1-3,14-19,21-22H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to human ER alpha				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50194089 (9a-benzyl-6-methyl-8,9,9a,10-tetrahydroindeno[2,1-...) Show SMILES CC1=C2c3ccc4[nH]ncc4c3CC2(Cc2ccccc2)CCC1=O |c:1| Show InChI InChI=1S/C22H20N2O/c1-14-20(25)9-10-22(11-15-5-3-2-4-6-15)12-17-16(21(14)22)7-8-19-18(17)13-23-24-19/h2-8,13H,9-12H2,1H3,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to human ER beta				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50194079 (9a-benzyl-6-methyl-8,9,9a,10-tetrahydrofluoreno[1,...) Show SMILES CC1=C2c3ccc4nn[nH]c4c3CC2(Cc2ccccc2)CCC1=O |c:1| Show InChI InChI=1S/C21H19N3O/c1-13-18(25)9-10-21(11-14-5-3-2-4-6-14)12-16-15(19(13)21)7-8-17-20(16)23-24-22-17/h2-8H,9-12H2,1H3,(H,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to ERalpha L384M/M421G mutant				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50194076 (2-[4-(9a-benzyl-7-hydroxy-3-oxo-2,3,9,9a-tetrahydr...) Show SMILES CN(C)CCOc1ccc(cc1)C1=C2c3ccc(O)cc3CC2(Cc2ccccc2)CCC1=O |c:13| Show InChI InChI=1S/C30H31NO3/c1-31(2)16-17-34-25-11-8-22(9-12-25)28-27(33)14-15-30(19-21-6-4-3-5-7-21)20-23-18-24(32)10-13-26(23)29(28)30/h3-13,18,32H,14-17,19-20H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to human ER alpha				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371] (Homo sapiens (Human))	BDBM50206441 (2-(2,4,5,7-tetrabromo-3-hydroxy-6-oxo-6H-xanthen-9...) Show SMILES OC(=O)c1ccccc1-c1c2cc(Br)c(O)c(Br)c2oc2c(Br)c(=O)c(Br)cc12 |(32.53,-16.69,;33.02,-15.23,;32,-14.07,;34.53,-14.92,;34.52,-13.38,;35.85,-12.6,;37.19,-13.36,;37.2,-14.9,;35.87,-15.67,;35.87,-17.21,;37.21,-17.96,;38.54,-17.19,;39.88,-17.94,;41.21,-17.16,;39.89,-19.5,;41.23,-20.26,;38.56,-20.28,;38.57,-21.82,;37.22,-19.51,;35.88,-20.29,;34.55,-19.52,;33.22,-20.3,;33.22,-21.84,;31.88,-19.53,;30.55,-20.3,;31.88,-17.98,;30.56,-17.2,;33.22,-17.24,;34.55,-17.98,)| Show InChI InChI=1S/C20H8Br4O5/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25/h1-6,25H,(H,27,28)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-PRMT1 expressed in BL21 cells				J Med Chem 50: 1241-53 (2007) Article DOI: 10.1021/jm061213n BindingDB Entry DOI: 10.7270/Q29887TV
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50194081 (9a-benzyl-7-hydroxy-4-methyl-1,2,9,9a-tetrahydro-3...) Show SMILES CC1=C2c3ccc(O)cc3CC2(Cc2ccccc2)CCC1=O |c:1| Show InChI InChI=1S/C21H20O2/c1-14-19(23)9-10-21(12-15-5-3-2-4-6-15)13-16-11-17(22)7-8-18(16)20(14)21/h2-8,11,22H,9-10,12-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to human ER alpha				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50194090 (9a-(3-fluorobenzyl)-6-methyl-8,9,9a,10-tetrahydroi...) Show SMILES CC1=C2c3ccc4[nH]ncc4c3CC2(Cc2cccc(F)c2)CCC1=O |c:1| Show InChI InChI=1S/C22H19FN2O/c1-13-20(26)7-8-22(10-14-3-2-4-15(23)9-14)11-17-16(21(13)22)5-6-19-18(17)12-24-25-19/h2-6,9,12H,7-8,10-11H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to human ER beta				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50194075 (9a-(4-chlorobenzyl)-7-hydroxy-4-[4-(2-piperidin-1-...) Show SMILES Oc1ccc2C3=C(C(=O)CCC3(Cc3ccc(Cl)cc3)Cc2c1)c1ccc(OCCN2CCCCC2)cc1 |t:5| Show InChI InChI=1S/C33H34ClNO3/c34-26-8-4-23(5-9-26)21-33-15-14-30(37)31(32(33)29-13-10-27(36)20-25(29)22-33)24-6-11-28(12-7-24)38-19-18-35-16-2-1-3-17-35/h4-13,20,36H,1-3,14-19,21-22H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to human ER beta				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50194081 (9a-benzyl-7-hydroxy-4-methyl-1,2,9,9a-tetrahydro-3...) Show SMILES CC1=C2c3ccc(O)cc3CC2(Cc2ccccc2)CCC1=O |c:1| Show InChI InChI=1S/C21H20O2/c1-14-19(23)9-10-21(12-15-5-3-2-4-6-15)13-16-11-17(22)7-8-18(16)20(14)21/h2-8,11,22H,9-10,12-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to wild type ERalpha				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50194085 (9a-(2-fluorobenzyl)-6-methyl-8,9,9a,10-tetrahydroi...) Show SMILES CC1=C2c3ccc4[nH]ncc4c3CC2(Cc2ccccc2F)CCC1=O |c:1| Show InChI InChI=1S/C22H19FN2O/c1-13-20(26)8-9-22(10-14-4-2-3-5-18(14)23)11-16-15(21(13)22)6-7-19-17(16)12-24-25-19/h2-7,12H,8-11H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to human ER alpha				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50194078 (9a-benzyl-8,9,9a,10-tetrahydroindeno[2,1-e]indazol...) Show SMILES O=C1CCC2(Cc3ccccc3)Cc3c(ccc4[nH]ncc34)C2=C1 |c:26| Show InChI InChI=1S/C21H18N2O/c24-15-8-9-21(11-14-4-2-1-3-5-14)12-17-16(19(21)10-15)6-7-20-18(17)13-22-23-20/h1-7,10,13H,8-9,11-12H2,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to ERalpha L384M/M421G mutant				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371] (Homo sapiens (Human))	BDBM50206426 (4-amino-3,5-dibromo-2-(2,4,5,7-tetrabromo-6-hydrox...) Show SMILES Nc1c(Br)cc(C(O)=O)c(c1Br)-c1c2cc(Br)c(O)c(Br)c2oc2c(Br)c(=O)c(Br)cc12 |(13.55,-25.84,;12.22,-26.62,;10.88,-25.85,;10.87,-24.31,;9.55,-26.64,;9.56,-28.18,;8.02,-28.16,;7.23,-29.48,;7.26,-26.82,;10.89,-28.92,;12.23,-28.16,;13.56,-28.92,;10.9,-30.46,;12.24,-31.22,;13.57,-30.44,;14.91,-31.2,;16.24,-30.42,;14.92,-32.76,;16.26,-33.52,;13.59,-33.54,;13.6,-35.08,;12.25,-32.77,;10.91,-33.55,;9.58,-32.78,;8.24,-33.56,;8.25,-35.1,;6.91,-32.79,;5.58,-33.56,;6.91,-31.24,;5.58,-30.47,;8.24,-30.47,;9.58,-31.24,)| Show InChI InChI=1S/C20H7Br6NO5/c21-7-3-6(20(30)31)11(12(24)15(7)27)10-4-1-8(22)16(28)13(25)18(4)32-19-5(10)2-9(23)17(29)14(19)26/h1-3,28H,27H2,(H,30,31)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-PRMT1 expressed in BL21 cells				J Med Chem 50: 1241-53 (2007) Article DOI: 10.1021/jm061213n BindingDB Entry DOI: 10.7270/Q29887TV
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50194086 (6-methyl-9a-(2-naphthylmethyl)-8,9,9a,10-tetrahydr...) Show SMILES CC1=C2c3ccc4[nH]ncc4c3CC2(Cc2ccc3ccccc3c2)CCC1=O |c:1| Show InChI InChI=1S/C26H22N2O/c1-16-24(29)10-11-26(13-17-6-7-18-4-2-3-5-19(18)12-17)14-21-20(25(16)26)8-9-23-22(21)15-27-28-23/h2-9,12,15H,10-11,13-14H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to ERalpha L384M/M421G mutant				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50194079 (9a-benzyl-6-methyl-8,9,9a,10-tetrahydrofluoreno[1,...) Show SMILES CC1=C2c3ccc4nn[nH]c4c3CC2(Cc2ccccc2)CCC1=O |c:1| Show InChI InChI=1S/C21H19N3O/c1-13-18(25)9-10-21(11-14-5-3-2-4-6-14)12-16-15(19(13)21)7-8-17-20(16)23-24-22-17/h2-8H,9-12H2,1H3,(H,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to human ER beta				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50336799 (5,5',5''-[1,3,6-naphthalenetriyltris(sulfonylimino...) Show SMILES Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans recombinant GST-RmtA expressed in BL21 cells				J Med Chem 50: 1241-53 (2007) Article DOI: 10.1021/jm061213n BindingDB Entry DOI: 10.7270/Q29887TV
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50194080 (9a-(4-chlorobenzyl)-7-hydroxy-4-methyl-1,2,9,9a-te...) Show SMILES CC1=C2c3ccc(O)cc3CC2(Cc2ccc(Cl)cc2)CCC1=O |c:1| Show InChI InChI=1S/C21H19ClO2/c1-13-19(24)8-9-21(11-14-2-4-16(22)5-3-14)12-15-10-17(23)6-7-18(15)20(13)21/h2-7,10,23H,8-9,11-12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to wild type ERalpha				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50194078 (9a-benzyl-8,9,9a,10-tetrahydroindeno[2,1-e]indazol...) Show SMILES O=C1CCC2(Cc3ccccc3)Cc3c(ccc4[nH]ncc34)C2=C1 |c:26| Show InChI InChI=1S/C21H18N2O/c24-15-8-9-21(11-14-4-2-1-3-5-14)12-17-16(19(21)10-15)6-7-20-18(17)13-22-23-20/h1-7,10,13H,8-9,11-12H2,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to human ER beta				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50194078 (9a-benzyl-8,9,9a,10-tetrahydroindeno[2,1-e]indazol...) Show SMILES O=C1CCC2(Cc3ccccc3)Cc3c(ccc4[nH]ncc34)C2=C1 |c:26| Show InChI InChI=1S/C21H18N2O/c24-15-8-9-21(11-14-4-2-1-3-5-14)12-17-16(19(21)10-15)6-7-20-18(17)13-22-23-20/h1-7,10,13H,8-9,11-12H2,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to human ER alpha				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair

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