Compile Data Set for Download or QSAR

Found 69 hits with Last Name = 'waibel' and Initial = 'm'   

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
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM912 ((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon-ENS Curated by ChEMBL					Assay Description Inhibition of HIV1 protease by Hanes method				Bioorg Med Chem 17: 3671-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.059 BindingDB Entry DOI: 10.7270/Q2G163NB
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM912 ((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon-ENS Curated by ChEMBL					Assay Description Inhibition of HIV1 protease by Lineweaver-Burke method				Bioorg Med Chem 17: 3671-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.059 BindingDB Entry DOI: 10.7270/Q2G163NB
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM912 ((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon-ENS Curated by ChEMBL					Assay Description Inhibition of HIV1 protease by Dixon method				Bioorg Med Chem 17: 3671-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.059 BindingDB Entry DOI: 10.7270/Q2G163NB
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50480048 (CHEMBL466684) Show SMILES [O-]C1[C@H](Cc2ccccc2)NC(=O)N(Cc2ccccc2)[N+]11CCCCC1 |r| Show InChI InChI=1S/C22H27N3O2/c26-21-20(16-18-10-4-1-5-11-18)23-22(27)24(17-19-12-6-2-7-13-19)25(21)14-8-3-9-15-25/h1-2,4-7,10-13,20-21H,3,8-9,14-17H2,(H,23,27)/t20-,21?/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.62E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon-ENS Curated by ChEMBL					Assay Description Inhibition of HIV1 protease by Lineweaver-Burke method				Bioorg Med Chem 17: 3671-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.059 BindingDB Entry DOI: 10.7270/Q2G163NB
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50480048 (CHEMBL466684) Show SMILES [O-]C1[C@H](Cc2ccccc2)NC(=O)N(Cc2ccccc2)[N+]11CCCCC1 |r| Show InChI InChI=1S/C22H27N3O2/c26-21-20(16-18-10-4-1-5-11-18)23-22(27)24(17-19-12-6-2-7-13-19)25(21)14-8-3-9-15-25/h1-2,4-7,10-13,20-21H,3,8-9,14-17H2,(H,23,27)/t20-,21?/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.62E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon-ENS Curated by ChEMBL					Assay Description Inhibition of HIV1 protease by Hanes method				Bioorg Med Chem 17: 3671-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.059 BindingDB Entry DOI: 10.7270/Q2G163NB
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50480043 (CHEMBL466688) Show SMILES CC(C)(C)NC(=O)[C@@H]1CCC[N+]11C([O-])[C@H](Cc2ccccc2)NC(=O)N1Cc1ccccc1 |r| Show InChI InChI=1S/C26H34N4O3/c1-26(2,3)28-23(31)22-15-10-16-30(22)24(32)21(17-19-11-6-4-7-12-19)27-25(33)29(30)18-20-13-8-5-9-14-20/h4-9,11-14,21-22,24H,10,15-18H2,1-3H3,(H,27,33)(H,28,31)/t21-,22-,24?,30?/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.43E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon-ENS Curated by ChEMBL					Assay Description Inhibition of HIV1 protease by Lineweaver-Burke method				Bioorg Med Chem 17: 3671-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.059 BindingDB Entry DOI: 10.7270/Q2G163NB
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50480043 (CHEMBL466688) Show SMILES CC(C)(C)NC(=O)[C@@H]1CCC[N+]11C([O-])[C@H](Cc2ccccc2)NC(=O)N1Cc1ccccc1 |r| Show InChI InChI=1S/C26H34N4O3/c1-26(2,3)28-23(31)22-15-10-16-30(22)24(32)21(17-19-11-6-4-7-12-19)27-25(33)29(30)18-20-13-8-5-9-14-20/h4-9,11-14,21-22,24H,10,15-18H2,1-3H3,(H,27,33)(H,28,31)/t21-,22-,24?,30?/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.43E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon-ENS Curated by ChEMBL					Assay Description Inhibition of HIV1 protease by Hanes method				Bioorg Med Chem 17: 3671-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.059 BindingDB Entry DOI: 10.7270/Q2G163NB
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50480048 (CHEMBL466684) Show SMILES [O-]C1[C@H](Cc2ccccc2)NC(=O)N(Cc2ccccc2)[N+]11CCCCC1 |r| Show InChI InChI=1S/C22H27N3O2/c26-21-20(16-18-10-4-1-5-11-18)23-22(27)24(17-19-12-6-2-7-13-19)25(21)14-8-3-9-15-25/h1-2,4-7,10-13,20-21H,3,8-9,14-17H2,(H,23,27)/t20-,21?/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.48E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon-ENS Curated by ChEMBL					Assay Description Inhibition of HIV1 protease by Dixon method				Bioorg Med Chem 17: 3671-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.059 BindingDB Entry DOI: 10.7270/Q2G163NB
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50480043 (CHEMBL466688) Show SMILES CC(C)(C)NC(=O)[C@@H]1CCC[N+]11C([O-])[C@H](Cc2ccccc2)NC(=O)N1Cc1ccccc1 |r| Show InChI InChI=1S/C26H34N4O3/c1-26(2,3)28-23(31)22-15-10-16-30(22)24(32)21(17-19-11-6-4-7-12-19)27-25(33)29(30)18-20-13-8-5-9-14-20/h4-9,11-14,21-22,24H,10,15-18H2,1-3H3,(H,27,33)(H,28,31)/t21-,22-,24?,30?/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.39E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon-ENS Curated by ChEMBL					Assay Description Inhibition of HIV1 protease by Dixon method				Bioorg Med Chem 17: 3671-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.059 BindingDB Entry DOI: 10.7270/Q2G163NB
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50480047 (CHEMBL466502) Show SMILES CC(C)[C@H](N)C(=O)N[C@]1(Cc2ccccc2)CC[N+]2(CCC[C@H]2C(=O)NC(=O)[C@@H](NC(C)(C)C)C(C)C)C1[O-] |r| Show InChI InChI=1S/C30H49N5O4/c1-19(2)23(31)26(37)34-30(18-21-12-9-8-10-13-21)15-17-35(28(30)39)16-11-14-22(35)25(36)32-27(38)24(20(3)4)33-29(5,6)7/h8-10,12-13,19-20,22-24,28,33H,11,14-18,31H2,1-7H3,(H,34,37)(H,32,36,38)/t22-,23-,24-,28?,30-,35?/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon-ENS Curated by ChEMBL					Assay Description Inhibition of HIV1 protease by Dixon method				Bioorg Med Chem 17: 3671-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.059 BindingDB Entry DOI: 10.7270/Q2G163NB
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50480047 (CHEMBL466502) Show SMILES CC(C)[C@H](N)C(=O)N[C@]1(Cc2ccccc2)CC[N+]2(CCC[C@H]2C(=O)NC(=O)[C@@H](NC(C)(C)C)C(C)C)C1[O-] |r| Show InChI InChI=1S/C30H49N5O4/c1-19(2)23(31)26(37)34-30(18-21-12-9-8-10-13-21)15-17-35(28(30)39)16-11-14-22(35)25(36)32-27(38)24(20(3)4)33-29(5,6)7/h8-10,12-13,19-20,22-24,28,33H,11,14-18,31H2,1-7H3,(H,34,37)(H,32,36,38)/t22-,23-,24-,28?,30-,35?/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon-ENS Curated by ChEMBL					Assay Description Inhibition of HIV1 protease by Hanes method				Bioorg Med Chem 17: 3671-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.059 BindingDB Entry DOI: 10.7270/Q2G163NB
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50480047 (CHEMBL466502) Show SMILES CC(C)[C@H](N)C(=O)N[C@]1(Cc2ccccc2)CC[N+]2(CCC[C@H]2C(=O)NC(=O)[C@@H](NC(C)(C)C)C(C)C)C1[O-] |r| Show InChI InChI=1S/C30H49N5O4/c1-19(2)23(31)26(37)34-30(18-21-12-9-8-10-13-21)15-17-35(28(30)39)16-11-14-22(35)25(36)32-27(38)24(20(3)4)33-29(5,6)7/h8-10,12-13,19-20,22-24,28,33H,11,14-18,31H2,1-7H3,(H,34,37)(H,32,36,38)/t22-,23-,24-,28?,30-,35?/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon-ENS Curated by ChEMBL					Assay Description Inhibition of HIV1 protease by Lineweaver-Burke method				Bioorg Med Chem 17: 3671-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.059 BindingDB Entry DOI: 10.7270/Q2G163NB
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50480044 (CHEMBL471433) Show SMILES [H][C@](NC(=O)[C@@H](NC(C)(C)C)C(C)C)([C@@H](C)CC)C(=O)NC(=O)[C@@H]1CCC[N+]11C([O-])[C@H](Cc2ccccc2)NC(=O)N1Cc1ccccc1 |r| Show InChI InChI=1S/C37H54N6O5/c1-8-25(4)31(39-33(45)30(24(2)3)41-37(5,6)7)34(46)40-32(44)29-20-15-21-43(29)35(47)28(22-26-16-11-9-12-17-26)38-36(48)42(43)23-27-18-13-10-14-19-27/h9-14,16-19,24-25,28-31,35,41H,8,15,20-23H2,1-7H3,(H,38,48)(H,39,45)(H,40,44,46)/t25-,28-,29-,30-,31-,35?,43?/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.38E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon-ENS Curated by ChEMBL					Assay Description Inhibition of HIV1 protease by Dixon method				Bioorg Med Chem 17: 3671-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.059 BindingDB Entry DOI: 10.7270/Q2G163NB
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50480044 (CHEMBL471433) Show SMILES [H][C@](NC(=O)[C@@H](NC(C)(C)C)C(C)C)([C@@H](C)CC)C(=O)NC(=O)[C@@H]1CCC[N+]11C([O-])[C@H](Cc2ccccc2)NC(=O)N1Cc1ccccc1 |r| Show InChI InChI=1S/C37H54N6O5/c1-8-25(4)31(39-33(45)30(24(2)3)41-37(5,6)7)34(46)40-32(44)29-20-15-21-43(29)35(47)28(22-26-16-11-9-12-17-26)38-36(48)42(43)23-27-18-13-10-14-19-27/h9-14,16-19,24-25,28-31,35,41H,8,15,20-23H2,1-7H3,(H,38,48)(H,39,45)(H,40,44,46)/t25-,28-,29-,30-,31-,35?,43?/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.49E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon-ENS Curated by ChEMBL					Assay Description Inhibition of HIV1 protease by Hanes method				Bioorg Med Chem 17: 3671-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.059 BindingDB Entry DOI: 10.7270/Q2G163NB
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50480044 (CHEMBL471433) Show SMILES [H][C@](NC(=O)[C@@H](NC(C)(C)C)C(C)C)([C@@H](C)CC)C(=O)NC(=O)[C@@H]1CCC[N+]11C([O-])[C@H](Cc2ccccc2)NC(=O)N1Cc1ccccc1 |r| Show InChI InChI=1S/C37H54N6O5/c1-8-25(4)31(39-33(45)30(24(2)3)41-37(5,6)7)34(46)40-32(44)29-20-15-21-43(29)35(47)28(22-26-16-11-9-12-17-26)38-36(48)42(43)23-27-18-13-10-14-19-27/h9-14,16-19,24-25,28-31,35,41H,8,15,20-23H2,1-7H3,(H,38,48)(H,39,45)(H,40,44,46)/t25-,28-,29-,30-,31-,35?,43?/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.49E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon-ENS Curated by ChEMBL					Assay Description Inhibition of HIV1 protease by Lineweaver-Burke method				Bioorg Med Chem 17: 3671-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.059 BindingDB Entry DOI: 10.7270/Q2G163NB
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50480049 (CHEMBL512599) Show SMILES CC(C)[C@H](NC(C)(C)C)C(=O)NC(=O)[C@@H]1CCC[N+]11C([O-])[C@H](Cc2ccccc2)NC(=O)N1Cc1ccccc1 |r| Show InChI InChI=1S/C31H43N5O4/c1-21(2)26(34-31(3,4)5)28(38)33-27(37)25-17-12-18-36(25)29(39)24(19-22-13-8-6-9-14-22)32-30(40)35(36)20-23-15-10-7-11-16-23/h6-11,13-16,21,24-26,29,34H,12,17-20H2,1-5H3,(H,32,40)(H,33,37,38)/t24-,25-,26-,29?,36?/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.86E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon-ENS Curated by ChEMBL					Assay Description Inhibition of HIV1 protease by Dixon method				Bioorg Med Chem 17: 3671-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.059 BindingDB Entry DOI: 10.7270/Q2G163NB
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50480049 (CHEMBL512599) Show SMILES CC(C)[C@H](NC(C)(C)C)C(=O)NC(=O)[C@@H]1CCC[N+]11C([O-])[C@H](Cc2ccccc2)NC(=O)N1Cc1ccccc1 |r| Show InChI InChI=1S/C31H43N5O4/c1-21(2)26(34-31(3,4)5)28(38)33-27(37)25-17-12-18-36(25)29(39)24(19-22-13-8-6-9-14-22)32-30(40)35(36)20-23-15-10-7-11-16-23/h6-11,13-16,21,24-26,29,34H,12,17-20H2,1-5H3,(H,32,40)(H,33,37,38)/t24-,25-,26-,29?,36?/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.92E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon-ENS Curated by ChEMBL					Assay Description Inhibition of HIV1 protease by Hanes method				Bioorg Med Chem 17: 3671-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.059 BindingDB Entry DOI: 10.7270/Q2G163NB
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50480049 (CHEMBL512599) Show SMILES CC(C)[C@H](NC(C)(C)C)C(=O)NC(=O)[C@@H]1CCC[N+]11C([O-])[C@H](Cc2ccccc2)NC(=O)N1Cc1ccccc1 |r| Show InChI InChI=1S/C31H43N5O4/c1-21(2)26(34-31(3,4)5)28(38)33-27(37)25-17-12-18-36(25)29(39)24(19-22-13-8-6-9-14-22)32-30(40)35(36)20-23-15-10-7-11-16-23/h6-11,13-16,21,24-26,29,34H,12,17-20H2,1-5H3,(H,32,40)(H,33,37,38)/t24-,25-,26-,29?,36?/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.92E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon-ENS Curated by ChEMBL					Assay Description Inhibition of HIV1 protease by Lineweaver-Burke method				Bioorg Med Chem 17: 3671-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.059 BindingDB Entry DOI: 10.7270/Q2G163NB
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50480042 (CHEMBL466687) Show SMILES [O-]C1[C@@H](Cc2ccccc2)NC(=O)N(Cc2ccccc2)[N+]11CCCCC1 |r| Show InChI InChI=1S/C22H27N3O2/c26-21-20(16-18-10-4-1-5-11-18)23-22(27)24(17-19-12-6-2-7-13-19)25(21)14-8-3-9-15-25/h1-2,4-7,10-13,20-21H,3,8-9,14-17H2,(H,23,27)/t20-,21?/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.54E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon-ENS Curated by ChEMBL					Assay Description Inhibition of HIV1 protease by Dixon method				Bioorg Med Chem 17: 3671-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.059 BindingDB Entry DOI: 10.7270/Q2G163NB
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50480042 (CHEMBL466687) Show SMILES [O-]C1[C@@H](Cc2ccccc2)NC(=O)N(Cc2ccccc2)[N+]11CCCCC1 |r| Show InChI InChI=1S/C22H27N3O2/c26-21-20(16-18-10-4-1-5-11-18)23-22(27)24(17-19-12-6-2-7-13-19)25(21)14-8-3-9-15-25/h1-2,4-7,10-13,20-21H,3,8-9,14-17H2,(H,23,27)/t20-,21?/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.61E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon-ENS Curated by ChEMBL					Assay Description Inhibition of HIV1 protease by Hanes method				Bioorg Med Chem 17: 3671-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.059 BindingDB Entry DOI: 10.7270/Q2G163NB
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50480042 (CHEMBL466687) Show SMILES [O-]C1[C@@H](Cc2ccccc2)NC(=O)N(Cc2ccccc2)[N+]11CCCCC1 |r| Show InChI InChI=1S/C22H27N3O2/c26-21-20(16-18-10-4-1-5-11-18)23-22(27)24(17-19-12-6-2-7-13-19)25(21)14-8-3-9-15-25/h1-2,4-7,10-13,20-21H,3,8-9,14-17H2,(H,23,27)/t20-,21?/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.61E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon-ENS Curated by ChEMBL					Assay Description Inhibition of HIV1 protease by Lineweaver-Burke method				Bioorg Med Chem 17: 3671-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.059 BindingDB Entry DOI: 10.7270/Q2G163NB
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50480046 (CHEMBL511210) Show SMILES CC(C)[C@H](N)C(=O)N[C@]1(Cc2ccccc2)CC[N+]2(CCC[C@H]2C(=O)NC(C)(C)C)C1[O-] |r| Show InChI InChI=1S/C25H40N4O3/c1-17(2)20(26)22(31)28-25(16-18-10-7-6-8-11-18)13-15-29(23(25)32)14-9-12-19(29)21(30)27-24(3,4)5/h6-8,10-11,17,19-20,23H,9,12-16,26H2,1-5H3,(H,27,30)(H,28,31)/t19-,20-,23?,25-,29?/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.74E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon-ENS Curated by ChEMBL					Assay Description Inhibition of HIV1 protease by Lineweaver-Burke method				Bioorg Med Chem 17: 3671-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.059 BindingDB Entry DOI: 10.7270/Q2G163NB
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50480046 (CHEMBL511210) Show SMILES CC(C)[C@H](N)C(=O)N[C@]1(Cc2ccccc2)CC[N+]2(CCC[C@H]2C(=O)NC(C)(C)C)C1[O-] |r| Show InChI InChI=1S/C25H40N4O3/c1-17(2)20(26)22(31)28-25(16-18-10-7-6-8-11-18)13-15-29(23(25)32)14-9-12-19(29)21(30)27-24(3,4)5/h6-8,10-11,17,19-20,23H,9,12-16,26H2,1-5H3,(H,27,30)(H,28,31)/t19-,20-,23?,25-,29?/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.77E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon-ENS Curated by ChEMBL					Assay Description Inhibition of HIV1 protease by Dixon method				Bioorg Med Chem 17: 3671-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.059 BindingDB Entry DOI: 10.7270/Q2G163NB
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50480046 (CHEMBL511210) Show SMILES CC(C)[C@H](N)C(=O)N[C@]1(Cc2ccccc2)CC[N+]2(CCC[C@H]2C(=O)NC(C)(C)C)C1[O-] |r| Show InChI InChI=1S/C25H40N4O3/c1-17(2)20(26)22(31)28-25(16-18-10-7-6-8-11-18)13-15-29(23(25)32)14-9-12-19(29)21(30)27-24(3,4)5/h6-8,10-11,17,19-20,23H,9,12-16,26H2,1-5H3,(H,27,30)(H,28,31)/t19-,20-,23?,25-,29?/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.18E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon-ENS Curated by ChEMBL					Assay Description Inhibition of HIV1 protease by Hanes method				Bioorg Med Chem 17: 3671-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.059 BindingDB Entry DOI: 10.7270/Q2G163NB
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM912 ((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon-ENS Curated by ChEMBL					Assay Description Inhibition of HIV1 protease by FRET assay				Bioorg Med Chem 17: 3671-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.059 BindingDB Entry DOI: 10.7270/Q2G163NB
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50480048 (CHEMBL466684) Show SMILES [O-]C1[C@H](Cc2ccccc2)NC(=O)N(Cc2ccccc2)[N+]11CCCCC1 |r| Show InChI InChI=1S/C22H27N3O2/c26-21-20(16-18-10-4-1-5-11-18)23-22(27)24(17-19-12-6-2-7-13-19)25(21)14-8-3-9-15-25/h1-2,4-7,10-13,20-21H,3,8-9,14-17H2,(H,23,27)/t20-,21?/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.72E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon-ENS Curated by ChEMBL					Assay Description Inhibition of HIV1 protease by FRET assay				Bioorg Med Chem 17: 3671-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.059 BindingDB Entry DOI: 10.7270/Q2G163NB
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50480043 (CHEMBL466688) Show SMILES CC(C)(C)NC(=O)[C@@H]1CCC[N+]11C([O-])[C@H](Cc2ccccc2)NC(=O)N1Cc1ccccc1 |r| Show InChI InChI=1S/C26H34N4O3/c1-26(2,3)28-23(31)22-15-10-16-30(22)24(32)21(17-19-11-6-4-7-12-19)27-25(33)29(30)18-20-13-8-5-9-14-20/h4-9,11-14,21-22,24H,10,15-18H2,1-3H3,(H,27,33)(H,28,31)/t21-,22-,24?,30?/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon-ENS Curated by ChEMBL					Assay Description Inhibition of HIV1 protease by FRET assay				Bioorg Med Chem 17: 3671-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.059 BindingDB Entry DOI: 10.7270/Q2G163NB
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50480044 (CHEMBL471433) Show SMILES [H][C@](NC(=O)[C@@H](NC(C)(C)C)C(C)C)([C@@H](C)CC)C(=O)NC(=O)[C@@H]1CCC[N+]11C([O-])[C@H](Cc2ccccc2)NC(=O)N1Cc1ccccc1 |r| Show InChI InChI=1S/C37H54N6O5/c1-8-25(4)31(39-33(45)30(24(2)3)41-37(5,6)7)34(46)40-32(44)29-20-15-21-43(29)35(47)28(22-26-16-11-9-12-17-26)38-36(48)42(43)23-27-18-13-10-14-19-27/h9-14,16-19,24-25,28-31,35,41H,8,15,20-23H2,1-7H3,(H,38,48)(H,39,45)(H,40,44,46)/t25-,28-,29-,30-,31-,35?,43?/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.69E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon-ENS Curated by ChEMBL					Assay Description Inhibition of HIV1 protease by FRET assay				Bioorg Med Chem 17: 3671-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.059 BindingDB Entry DOI: 10.7270/Q2G163NB
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50480047 (CHEMBL466502) Show SMILES CC(C)[C@H](N)C(=O)N[C@]1(Cc2ccccc2)CC[N+]2(CCC[C@H]2C(=O)NC(=O)[C@@H](NC(C)(C)C)C(C)C)C1[O-] |r| Show InChI InChI=1S/C30H49N5O4/c1-19(2)23(31)26(37)34-30(18-21-12-9-8-10-13-21)15-17-35(28(30)39)16-11-14-22(35)25(36)32-27(38)24(20(3)4)33-29(5,6)7/h8-10,12-13,19-20,22-24,28,33H,11,14-18,31H2,1-7H3,(H,34,37)(H,32,36,38)/t22-,23-,24-,28?,30-,35?/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.04E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon-ENS Curated by ChEMBL					Assay Description Inhibition of HIV1 protease by FRET assay				Bioorg Med Chem 17: 3671-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.059 BindingDB Entry DOI: 10.7270/Q2G163NB
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50480049 (CHEMBL512599) Show SMILES CC(C)[C@H](NC(C)(C)C)C(=O)NC(=O)[C@@H]1CCC[N+]11C([O-])[C@H](Cc2ccccc2)NC(=O)N1Cc1ccccc1 |r| Show InChI InChI=1S/C31H43N5O4/c1-21(2)26(34-31(3,4)5)28(38)33-27(37)25-17-12-18-36(25)29(39)24(19-22-13-8-6-9-14-22)32-30(40)35(36)20-23-15-10-7-11-16-23/h6-11,13-16,21,24-26,29,34H,12,17-20H2,1-5H3,(H,32,40)(H,33,37,38)/t24-,25-,26-,29?,36?/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.41E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon-ENS Curated by ChEMBL					Assay Description Inhibition of HIV1 protease by FRET assay				Bioorg Med Chem 17: 3671-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.059 BindingDB Entry DOI: 10.7270/Q2G163NB
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50480042 (CHEMBL466687) Show SMILES [O-]C1[C@@H](Cc2ccccc2)NC(=O)N(Cc2ccccc2)[N+]11CCCCC1 |r| Show InChI InChI=1S/C22H27N3O2/c26-21-20(16-18-10-4-1-5-11-18)23-22(27)24(17-19-12-6-2-7-13-19)25(21)14-8-3-9-15-25/h1-2,4-7,10-13,20-21H,3,8-9,14-17H2,(H,23,27)/t20-,21?/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.43E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon-ENS Curated by ChEMBL					Assay Description Inhibition of HIV1 protease by FRET assay				Bioorg Med Chem 17: 3671-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.059 BindingDB Entry DOI: 10.7270/Q2G163NB
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50480046 (CHEMBL511210) Show SMILES CC(C)[C@H](N)C(=O)N[C@]1(Cc2ccccc2)CC[N+]2(CCC[C@H]2C(=O)NC(C)(C)C)C1[O-] |r| Show InChI InChI=1S/C25H40N4O3/c1-17(2)20(26)22(31)28-25(16-18-10-7-6-8-11-18)13-15-29(23(25)32)14-9-12-19(29)21(30)27-24(3,4)5/h6-8,10-11,17,19-20,23H,9,12-16,26H2,1-5H3,(H,27,30)(H,28,31)/t19-,20-,23?,25-,29?/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.45E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon-ENS Curated by ChEMBL					Assay Description Inhibition of HIV1 protease by FRET assay				Bioorg Med Chem 17: 3671-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.059 BindingDB Entry DOI: 10.7270/Q2G163NB
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50480045 (CHEMBL466085) Show SMILES COC(=O)[C@@H]1CCC[N+]11CC[C@@](Cc2ccccc2)(NC(=O)OCC=C)C1[O-] |r| Show InChI InChI=1S/C21H28N2O5/c1-3-14-28-20(26)22-21(15-16-8-5-4-6-9-16)11-13-23(19(21)25)12-7-10-17(23)18(24)27-2/h3-6,8-9,17,19H,1,7,10-15H2,2H3,(H,22,26)/t17-,19?,21-,23?/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon-ENS Curated by ChEMBL					Assay Description Inhibition of HIV1 protease by FRET assay				Bioorg Med Chem 17: 3671-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.059 BindingDB Entry DOI: 10.7270/Q2G163NB
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50297513 (6-[2-(4-Hydroxy-phenyl)-1-methyl-ethyl]-pyridin-3-...) Show SMILES CC(Cc1ccc(O)cc1)c1ccc(O)cn1 Show InChI InChI=1S/C14H15NO2/c1-10(14-7-6-13(17)9-15-14)8-11-2-4-12(16)5-3-11/h2-7,9-10,16-17H,8H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	330	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Activity at human ERalpha expressed in HEC1 cells cotransfected with 2ERE-pS2-Luc assessed as relative transcriptional potency by luciferase reporter...				Eur J Med Chem 44: 3560-70 (2009) Article DOI: 10.1016/j.ejmech.2009.03.013 BindingDB Entry DOI: 10.7270/Q21Z44G1
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50297514 (6-[1-(4-Hydroxy-benzyl)-propyl]-pyridin-3-ol | CHE...) Show SMILES CCC(Cc1ccc(O)cc1)c1ccc(O)cn1 Show InChI InChI=1S/C15H17NO2/c1-2-12(15-8-7-14(18)10-16-15)9-11-3-5-13(17)6-4-11/h3-8,10,12,17-18H,2,9H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	65	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Activity at human ERalpha expressed in HEC1 cells cotransfected with 2ERE-pS2-Luc assessed as relative transcriptional potency by luciferase reporter...				Eur J Med Chem 44: 3560-70 (2009) Article DOI: 10.1016/j.ejmech.2009.03.013 BindingDB Entry DOI: 10.7270/Q21Z44G1
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50297515 (6-[2-(4-Hydroxy-phenyl)-propyl]-pyridin-3-ol | CHE...) Show SMILES CC(Cc1ccc(O)cn1)c1ccc(O)cc1 Show InChI InChI=1S/C14H15NO2/c1-10(11-2-5-13(16)6-3-11)8-12-4-7-14(17)9-15-12/h2-7,9-10,16-17H,8H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	440	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Activity at human ERalpha expressed in HEC1 cells cotransfected with 2ERE-pS2-Luc assessed as relative transcriptional potency by luciferase reporter...				Eur J Med Chem 44: 3560-70 (2009) Article DOI: 10.1016/j.ejmech.2009.03.013 BindingDB Entry DOI: 10.7270/Q21Z44G1
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50297516 (CHEMBL538148 | trans-6-[1-ethyl-2-(4-hydroxy-pheny...) Show SMILES CC[C@@H]([C@@H](C)c1ccc(O)cc1)c1ccc(O)cn1 |r| Show InChI InChI=1S/C16H19NO2/c1-3-15(16-9-8-14(19)10-17-16)11(2)12-4-6-13(18)7-5-12/h4-11,15,18-19H,3H2,1-2H3/t11-,15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.110	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Activity at human ERalpha expressed in HEC1 cells cotransfected with 2ERE-pS2-Luc assessed as relative transcriptional potency by luciferase reporter...				Eur J Med Chem 44: 3560-70 (2009) Article DOI: 10.1016/j.ejmech.2009.03.013 BindingDB Entry DOI: 10.7270/Q21Z44G1
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50297517 (CHEMBL552019 | cis-6-[1-ethyl-2-(4-hydroxy-phenyl)...) Show SMILES CC[C@@H]([C@H](CC)c1ccc(O)cn1)c1ccc(O)cc1 |r| Show InChI InChI=1S/C17H21NO2/c1-3-15(12-5-7-13(19)8-6-12)16(4-2)17-10-9-14(20)11-18-17/h5-11,15-16,19-20H,3-4H2,1-2H3/t15-,16+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Activity at human ERalpha expressed in HEC1 cells cotransfected with 2ERE-pS2-Luc assessed as relative transcriptional potency by luciferase reporter...				Eur J Med Chem 44: 3560-70 (2009) Article DOI: 10.1016/j.ejmech.2009.03.013 BindingDB Entry DOI: 10.7270/Q21Z44G1
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50297518 (CHEMBL556650 | trans-6-[1-ethyl-2-(4-hydroxy-pheny...) Show SMILES CC[C@H]([C@H](CC)c1ccc(O)cn1)c1ccc(O)cc1 |r| Show InChI InChI=1S/C17H21NO2/c1-3-15(12-5-7-13(19)8-6-12)16(4-2)17-10-9-14(20)11-18-17/h5-11,15-16,19-20H,3-4H2,1-2H3/t15-,16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.110	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Activity at human ERalpha expressed in HEC1 cells cotransfected with 2ERE-pS2-Luc assessed as relative transcriptional potency by luciferase reporter...				Eur J Med Chem 44: 3560-70 (2009) Article DOI: 10.1016/j.ejmech.2009.03.013 BindingDB Entry DOI: 10.7270/Q21Z44G1
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50297519 ((+/-)-1,2-Bis-(4-hydroxy-phenyl)-propane | 4,4'-(p...) Show SMILES CC(Cc1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C15H16O2/c1-11(13-4-8-15(17)9-5-13)10-12-2-6-14(16)7-3-12/h2-9,11,16-17H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	6.5	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Activity at human ERalpha expressed in HEC1 cells cotransfected with 2ERE-pS2-Luc assessed as relative transcriptional potency by luciferase reporter...				Eur J Med Chem 44: 3560-70 (2009) Article DOI: 10.1016/j.ejmech.2009.03.013 BindingDB Entry DOI: 10.7270/Q21Z44G1
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50297513 (6-[2-(4-Hydroxy-phenyl)-1-methyl-ethyl]-pyridin-3-...) Show SMILES CC(Cc1ccc(O)cc1)c1ccc(O)cn1 Show InChI InChI=1S/C14H15NO2/c1-10(14-7-6-13(17)9-15-14)8-11-2-4-12(16)5-3-11/h2-7,9-10,16-17H,8H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	60	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Activity at human ERbeta expressed in HEC1 cells cotransfected with 2ERE-pS2-Luc assessed as relative transcriptional potency by luciferase reporter ...				Eur J Med Chem 44: 3560-70 (2009) Article DOI: 10.1016/j.ejmech.2009.03.013 BindingDB Entry DOI: 10.7270/Q21Z44G1
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50297514 (6-[1-(4-Hydroxy-benzyl)-propyl]-pyridin-3-ol | CHE...) Show SMILES CCC(Cc1ccc(O)cc1)c1ccc(O)cn1 Show InChI InChI=1S/C15H17NO2/c1-2-12(15-8-7-14(18)10-16-15)9-11-3-5-13(17)6-4-11/h3-8,10,12,17-18H,2,9H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Activity at human ERbeta expressed in HEC1 cells cotransfected with 2ERE-pS2-Luc assessed as relative transcriptional potency by luciferase reporter ...				Eur J Med Chem 44: 3560-70 (2009) Article DOI: 10.1016/j.ejmech.2009.03.013 BindingDB Entry DOI: 10.7270/Q21Z44G1
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50297515 (6-[2-(4-Hydroxy-phenyl)-propyl]-pyridin-3-ol | CHE...) Show SMILES CC(Cc1ccc(O)cn1)c1ccc(O)cc1 Show InChI InChI=1S/C14H15NO2/c1-10(11-2-5-13(16)6-3-11)8-12-4-7-14(17)9-15-12/h2-7,9-10,16-17H,8H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	170	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Activity at human ERbeta expressed in HEC1 cells cotransfected with 2ERE-pS2-Luc assessed as relative transcriptional potency by luciferase reporter ...				Eur J Med Chem 44: 3560-70 (2009) Article DOI: 10.1016/j.ejmech.2009.03.013 BindingDB Entry DOI: 10.7270/Q21Z44G1
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50297516 (CHEMBL538148 | trans-6-[1-ethyl-2-(4-hydroxy-pheny...) Show SMILES CC[C@@H]([C@@H](C)c1ccc(O)cc1)c1ccc(O)cn1 |r| Show InChI InChI=1S/C16H19NO2/c1-3-15(16-9-8-14(19)10-17-16)11(2)12-4-6-13(18)7-5-12/h4-11,15,18-19H,3H2,1-2H3/t11-,15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Activity at human ERbeta expressed in HEC1 cells cotransfected with 2ERE-pS2-Luc assessed as relative transcriptional potency by luciferase reporter ...				Eur J Med Chem 44: 3560-70 (2009) Article DOI: 10.1016/j.ejmech.2009.03.013 BindingDB Entry DOI: 10.7270/Q21Z44G1
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50297517 (CHEMBL552019 | cis-6-[1-ethyl-2-(4-hydroxy-phenyl)...) Show SMILES CC[C@@H]([C@H](CC)c1ccc(O)cn1)c1ccc(O)cc1 |r| Show InChI InChI=1S/C17H21NO2/c1-3-15(12-5-7-13(19)8-6-12)16(4-2)17-10-9-14(20)11-18-17/h5-11,15-16,19-20H,3-4H2,1-2H3/t15-,16+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	26	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Activity at human ERbeta expressed in HEC1 cells cotransfected with 2ERE-pS2-Luc assessed as relative transcriptional potency by luciferase reporter ...				Eur J Med Chem 44: 3560-70 (2009) Article DOI: 10.1016/j.ejmech.2009.03.013 BindingDB Entry DOI: 10.7270/Q21Z44G1
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50297518 (CHEMBL556650 | trans-6-[1-ethyl-2-(4-hydroxy-pheny...) Show SMILES CC[C@H]([C@H](CC)c1ccc(O)cn1)c1ccc(O)cc1 |r| Show InChI InChI=1S/C17H21NO2/c1-3-15(12-5-7-13(19)8-6-12)16(4-2)17-10-9-14(20)11-18-17/h5-11,15-16,19-20H,3-4H2,1-2H3/t15-,16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.610	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Activity at human ERbeta expressed in HEC1 cells cotransfected with 2ERE-pS2-Luc assessed as relative transcriptional potency by luciferase reporter ...				Eur J Med Chem 44: 3560-70 (2009) Article DOI: 10.1016/j.ejmech.2009.03.013 BindingDB Entry DOI: 10.7270/Q21Z44G1
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50297519 ((+/-)-1,2-Bis-(4-hydroxy-phenyl)-propane | 4,4'-(p...) Show SMILES CC(Cc1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C15H16O2/c1-11(13-4-8-15(17)9-5-13)10-12-2-6-14(16)7-3-12/h2-9,11,16-17H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Activity at human ERbeta expressed in HEC1 cells cotransfected with 2ERE-pS2-Luc assessed as relative transcriptional potency by luciferase reporter ...				Eur J Med Chem 44: 3560-70 (2009) Article DOI: 10.1016/j.ejmech.2009.03.013 BindingDB Entry DOI: 10.7270/Q21Z44G1
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50297519 ((+/-)-1,2-Bis-(4-hydroxy-phenyl)-propane | 4,4'-(p...) Show SMILES CC(Cc1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C15H16O2/c1-11(13-4-8-15(17)9-5-13)10-12-2-6-14(16)7-3-12/h2-9,11,16-17H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Agonist activity at ERbeta expressed in human HEC1 cells assessed as transcriptional potency after 24 hrs by luciferase-beta galactosidase reporter g...				Eur J Med Chem 44: 3412-24 (2009) Article DOI: 10.1016/j.ejmech.2009.02.006 BindingDB Entry DOI: 10.7270/Q2NK3F37
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50298235 (1,2-Bis-(4-hydroxy-phenyl)-2-methyl-propane | CHEM...) Show SMILES CC(C)(Cc1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C16H18O2/c1-16(2,13-5-9-15(18)10-6-13)11-12-3-7-14(17)8-4-12/h3-10,17-18H,11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Agonist activity at ERbeta expressed in human HEC1 cells assessed as transcriptional potency after 24 hrs by luciferase-beta galactosidase reporter g...				Eur J Med Chem 44: 3412-24 (2009) Article DOI: 10.1016/j.ejmech.2009.02.006 BindingDB Entry DOI: 10.7270/Q2NK3F37
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50106635 ((+/-)-2,3-bis(4-hydroxyphenyl)propanenitrile | 2,3...) Show SMILES Oc1ccc(CC(C#N)c2ccc(O)cc2)cc1 Show InChI InChI=1S/C15H13NO2/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-8,13,17-18H,9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	0.850	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Agonist activity at ERbeta expressed in human HEC1 cells assessed as transcriptional potency after 24 hrs by luciferase-beta galactosidase reporter g...				Eur J Med Chem 44: 3412-24 (2009) Article DOI: 10.1016/j.ejmech.2009.02.006 BindingDB Entry DOI: 10.7270/Q2NK3F37
					More data for this Ligand-Target Pair				3D Structure (crystal)

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