Compile Data Set for Download or QSAR

Found 346 hits with Last Name = 'gray' and Initial = 'w'   

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
Progesterone receptor (Homo sapiens (Human))	BDBM18627 ((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...) Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of 4 nM progesterone-stimulated transactivation of MMTV-Luc reporter in CV-1 cells expressing PR-B				Bioorg Med Chem Lett 15: 3203-6 (2005) Article DOI: 10.1016/j.bmcl.2005.05.001 BindingDB Entry DOI: 10.7270/Q2J67KP9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50264124 (3-(4-(6-hydroxy-3-pentyl-2-phenylnaphthalen-1-ylox...) Show SMILES CCCCCc1cc2cc(O)ccc2c(Oc2ccc(\C=C\C(O)=O)cc2)c1-c1ccccc1 Show InChI InChI=1S/C30H28O4/c1-2-3-5-10-23-19-24-20-25(31)14-17-27(24)30(29(23)22-8-6-4-7-9-22)34-26-15-11-21(12-16-26)13-18-28(32)33/h4,6-9,11-20,31H,2-3,5,10H2,1H3,(H,32,33)/b18-13+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length biotinylated human ERalpha by scintillation proximity assay				Bioorg Med Chem Lett 18: 5075-7 (2008) Article DOI: 10.1016/j.bmcl.2008.07.121 BindingDB Entry DOI: 10.7270/Q2C53KNF
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM19441 (2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...) Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length biotinylated human ERalpha by scintillation proximity assay				Bioorg Med Chem Lett 18: 5075-7 (2008) Article DOI: 10.1016/j.bmcl.2008.07.121 BindingDB Entry DOI: 10.7270/Q2C53KNF
					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	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length biotinylated human ERalpha by scintillation proximity assay				Bioorg Med Chem Lett 18: 5075-7 (2008) Article DOI: 10.1016/j.bmcl.2008.07.121 BindingDB Entry DOI: 10.7270/Q2C53KNF
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length biotinylated human ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 18: 5075-7 (2008) Article DOI: 10.1016/j.bmcl.2008.07.121 BindingDB Entry DOI: 10.7270/Q2C53KNF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM50264124 (3-(4-(6-hydroxy-3-pentyl-2-phenylnaphthalen-1-ylox...) Show SMILES CCCCCc1cc2cc(O)ccc2c(Oc2ccc(\C=C\C(O)=O)cc2)c1-c1ccccc1 Show InChI InChI=1S/C30H28O4/c1-2-3-5-10-23-19-24-20-25(31)14-17-27(24)30(29(23)22-8-6-4-7-9-22)34-26-15-11-21(12-16-26)13-18-28(32)33/h4,6-9,11-20,31H,2-3,5,10H2,1H3,(H,32,33)/b18-13+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length biotinylated human ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 18: 5075-7 (2008) Article DOI: 10.1016/j.bmcl.2008.07.121 BindingDB Entry DOI: 10.7270/Q2C53KNF
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50264122 (3-(4-(3-butyl-6-hydroxy-2-phenylnaphthalen-1-yloxy...) Show SMILES CCCCc1cc2cc(O)ccc2c(Oc2ccc(\C=C\C(O)=O)cc2)c1-c1ccccc1 Show InChI InChI=1S/C29H26O4/c1-2-3-7-22-18-23-19-24(30)13-16-26(23)29(28(22)21-8-5-4-6-9-21)33-25-14-10-20(11-15-25)12-17-27(31)32/h4-6,8-19,30H,2-3,7H2,1H3,(H,31,32)/b17-12+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length biotinylated human ERalpha by scintillation proximity assay				Bioorg Med Chem Lett 18: 5075-7 (2008) Article DOI: 10.1016/j.bmcl.2008.07.121 BindingDB Entry DOI: 10.7270/Q2C53KNF
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50264122 (3-(4-(3-butyl-6-hydroxy-2-phenylnaphthalen-1-yloxy...) Show SMILES CCCCc1cc2cc(O)ccc2c(Oc2ccc(\C=C\C(O)=O)cc2)c1-c1ccccc1 Show InChI InChI=1S/C29H26O4/c1-2-3-7-22-18-23-19-24(30)13-16-26(23)29(28(22)21-8-5-4-6-9-21)33-25-14-10-20(11-15-25)12-17-27(31)32/h4-6,8-19,30H,2-3,7H2,1H3,(H,31,32)/b17-12+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length biotinylated human ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 18: 5075-7 (2008) Article DOI: 10.1016/j.bmcl.2008.07.121 BindingDB Entry DOI: 10.7270/Q2C53KNF
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM18627 ((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...) Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of fluorescent ligand from binding domain of progesterone receptor				Bioorg Med Chem Lett 15: 3203-6 (2005) Article DOI: 10.1016/j.bmcl.2005.05.001 BindingDB Entry DOI: 10.7270/Q2J67KP9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM50264121 (3-(4-(3-cyclopropyl-6-hydroxy-2-phenylnaphthalen-1...) Show SMILES OC(=O)\C=C\c1ccc(Oc2c(-c3ccccc3)c(cc3cc(O)ccc23)C2CC2)cc1 Show InChI InChI=1S/C28H22O4/c29-22-11-14-24-21(16-22)17-25(19-9-10-19)27(20-4-2-1-3-5-20)28(24)32-23-12-6-18(7-13-23)8-15-26(30)31/h1-8,11-17,19,29H,9-10H2,(H,30,31)/b15-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length biotinylated human ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 18: 5075-7 (2008) Article DOI: 10.1016/j.bmcl.2008.07.121 BindingDB Entry DOI: 10.7270/Q2C53KNF
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50474916 (CHEMBL364712) Show SMILES [H][C@]1(C)CN(N=C1c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 |c:5| Show InChI InChI=1S/C16H13Cl3N2O2S/c1-10-9-21(24(22,23)13-5-3-12(17)4-6-13)20-16(10)11-2-7-14(18)15(19)8-11/h2-8,10H,9H2,1H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of fluorescent ligand from binding domain of progesterone receptor				Bioorg Med Chem Lett 15: 3203-6 (2005) Article DOI: 10.1016/j.bmcl.2005.05.001 BindingDB Entry DOI: 10.7270/Q2J67KP9
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50264123 (3-(4-(6-hydroxy-3-isobutyl-2-phenylnaphthalen-1-yl...) Show SMILES CC(C)Cc1cc2cc(O)ccc2c(Oc2ccc(\C=C\C(O)=O)cc2)c1-c1ccccc1 Show InChI InChI=1S/C29H26O4/c1-19(2)16-23-17-22-18-24(30)11-14-26(22)29(28(23)21-6-4-3-5-7-21)33-25-12-8-20(9-13-25)10-15-27(31)32/h3-15,17-19,30H,16H2,1-2H3,(H,31,32)/b15-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length biotinylated human ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 18: 5075-7 (2008) Article DOI: 10.1016/j.bmcl.2008.07.121 BindingDB Entry DOI: 10.7270/Q2C53KNF
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM19441 (2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...) Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length biotinylated human ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 18: 5075-7 (2008) Article DOI: 10.1016/j.bmcl.2008.07.121 BindingDB Entry DOI: 10.7270/Q2C53KNF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Progesterone receptor (Homo sapiens (Human))	BDBM50474916 (CHEMBL364712) Show SMILES [H][C@]1(C)CN(N=C1c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 |c:5| Show InChI InChI=1S/C16H13Cl3N2O2S/c1-10-9-21(24(22,23)13-5-3-12(17)4-6-13)20-16(10)11-2-7-14(18)15(19)8-11/h2-8,10H,9H2,1H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of 4 nM progesterone-stimulated transactivation of MMTV-Luc reporter in CV-1 cells expressing PR-B				Bioorg Med Chem Lett 15: 3203-6 (2005) Article DOI: 10.1016/j.bmcl.2005.05.001 BindingDB Entry DOI: 10.7270/Q2J67KP9
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50264123 (3-(4-(6-hydroxy-3-isobutyl-2-phenylnaphthalen-1-yl...) Show SMILES CC(C)Cc1cc2cc(O)ccc2c(Oc2ccc(\C=C\C(O)=O)cc2)c1-c1ccccc1 Show InChI InChI=1S/C29H26O4/c1-19(2)16-23-17-22-18-24(30)11-14-26(22)29(28(23)21-6-4-3-5-7-21)33-25-12-8-20(9-13-25)10-15-27(31)32/h3-15,17-19,30H,16H2,1-2H3,(H,31,32)/b15-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length biotinylated human ERalpha by scintillation proximity assay				Bioorg Med Chem Lett 18: 5075-7 (2008) Article DOI: 10.1016/j.bmcl.2008.07.121 BindingDB Entry DOI: 10.7270/Q2C53KNF
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50264172 (3-(4-(6-hydroxy-3-octyl-2-phenylnaphthalen-1-yloxy...) Show SMILES CCCCCCCCc1cc2cc(O)ccc2c(Oc2ccc(\C=C\C(O)=O)cc2)c1-c1ccccc1 Show InChI InChI=1S/C33H34O4/c1-2-3-4-5-6-8-13-26-22-27-23-28(34)17-20-30(27)33(32(26)25-11-9-7-10-12-25)37-29-18-14-24(15-19-29)16-21-31(35)36/h7,9-12,14-23,34H,2-6,8,13H2,1H3,(H,35,36)/b21-16+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length biotinylated human ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 18: 5075-7 (2008) Article DOI: 10.1016/j.bmcl.2008.07.121 BindingDB Entry DOI: 10.7270/Q2C53KNF
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50474911 (CHEMBL192314) Show SMILES CN(C)c1ccc(cc1)C1CN(N=C1c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 |c:13| Show InChI InChI=1S/C23H20Cl3N3O2S/c1-28(2)18-8-3-15(4-9-18)20-14-29(32(30,31)19-10-6-17(24)7-11-19)27-23(20)16-5-12-21(25)22(26)13-16/h3-13,20H,14H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of fluorescent ligand from binding domain of progesterone receptor				Bioorg Med Chem Lett 15: 3203-6 (2005) Article DOI: 10.1016/j.bmcl.2005.05.001 BindingDB Entry DOI: 10.7270/Q2J67KP9
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50474914 (CHEMBL190198) Show SMILES CC1CC(=NN1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 |c:3| Show InChI InChI=1S/C16H13Cl3N2O2S/c1-10-8-16(11-2-7-14(18)15(19)9-11)20-21(10)24(22,23)13-5-3-12(17)4-6-13/h2-7,9-10H,8H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of fluorescent ligand from binding domain of progesterone receptor				Bioorg Med Chem Lett 15: 3203-6 (2005) Article DOI: 10.1016/j.bmcl.2005.05.001 BindingDB Entry DOI: 10.7270/Q2J67KP9
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50474917 (CHEMBL366252) Show SMILES CC1CN(N=C1c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 |c:4| Show InChI InChI=1S/C16H13Cl3N2O2S/c1-10-9-21(24(22,23)13-5-3-12(17)4-6-13)20-16(10)11-2-7-14(18)15(19)8-11/h2-8,10H,9H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of fluorescent ligand from binding domain of progesterone receptor				Bioorg Med Chem Lett 15: 3203-6 (2005) Article DOI: 10.1016/j.bmcl.2005.05.001 BindingDB Entry DOI: 10.7270/Q2J67KP9
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50264695 (3-(4-(3-butyl-2-(4-hydroxyphenyl)naphthalen-1-ylox...) Show SMILES CCCCc1cc2ccccc2c(Oc2ccc(\C=C\C(O)=O)cc2)c1-c1ccc(O)cc1 Show InChI InChI=1S/C29H26O4/c1-2-3-6-23-19-22-7-4-5-8-26(22)29(28(23)21-12-14-24(30)15-13-21)33-25-16-9-20(10-17-25)11-18-27(31)32/h4-5,7-19,30H,2-3,6H2,1H3,(H,31,32)/b18-11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length biotinylated human ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 18: 5075-7 (2008) Article DOI: 10.1016/j.bmcl.2008.07.121 BindingDB Entry DOI: 10.7270/Q2C53KNF
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50264695 (3-(4-(3-butyl-2-(4-hydroxyphenyl)naphthalen-1-ylox...) Show SMILES CCCCc1cc2ccccc2c(Oc2ccc(\C=C\C(O)=O)cc2)c1-c1ccc(O)cc1 Show InChI InChI=1S/C29H26O4/c1-2-3-6-23-19-22-7-4-5-8-26(22)29(28(23)21-12-14-24(30)15-13-21)33-25-16-9-20(10-17-25)11-18-27(31)32/h4-5,7-19,30H,2-3,6H2,1H3,(H,31,32)/b18-11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length biotinylated human ERalpha by scintillation proximity assay				Bioorg Med Chem Lett 18: 5075-7 (2008) Article DOI: 10.1016/j.bmcl.2008.07.121 BindingDB Entry DOI: 10.7270/Q2C53KNF
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50264172 (3-(4-(6-hydroxy-3-octyl-2-phenylnaphthalen-1-yloxy...) Show SMILES CCCCCCCCc1cc2cc(O)ccc2c(Oc2ccc(\C=C\C(O)=O)cc2)c1-c1ccccc1 Show InChI InChI=1S/C33H34O4/c1-2-3-4-5-6-8-13-26-22-27-23-28(34)17-20-30(27)33(32(26)25-11-9-7-10-12-25)37-29-18-14-24(15-19-29)16-21-31(35)36/h7,9-12,14-23,34H,2-6,8,13H2,1H3,(H,35,36)/b21-16+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length biotinylated human ERalpha by scintillation proximity assay				Bioorg Med Chem Lett 18: 5075-7 (2008) Article DOI: 10.1016/j.bmcl.2008.07.121 BindingDB Entry DOI: 10.7270/Q2C53KNF
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50264121 (3-(4-(3-cyclopropyl-6-hydroxy-2-phenylnaphthalen-1...) Show SMILES OC(=O)\C=C\c1ccc(Oc2c(-c3ccccc3)c(cc3cc(O)ccc23)C2CC2)cc1 Show InChI InChI=1S/C28H22O4/c29-22-11-14-24-21(16-22)17-25(19-9-10-19)27(20-4-2-1-3-5-20)28(24)32-23-12-6-18(7-13-23)8-15-26(30)31/h1-8,11-17,19,29H,9-10H2,(H,30,31)/b15-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length biotinylated human ERalpha by scintillation proximity assay				Bioorg Med Chem Lett 18: 5075-7 (2008) Article DOI: 10.1016/j.bmcl.2008.07.121 BindingDB Entry DOI: 10.7270/Q2C53KNF
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50474912 (CHEMBL190264) Show SMILES CN(C)c1ccc(cc1)[C@@H]1CN(N=C1c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 |c:13| Show InChI InChI=1S/C23H20Cl3N3O2S/c1-28(2)18-8-3-15(4-9-18)20-14-29(32(30,31)19-10-6-17(24)7-11-19)27-23(20)16-5-12-21(25)22(26)13-16/h3-13,20H,14H2,1-2H3/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of fluorescent ligand from binding domain of progesterone receptor				Bioorg Med Chem Lett 15: 3203-6 (2005) Article DOI: 10.1016/j.bmcl.2005.05.001 BindingDB Entry DOI: 10.7270/Q2J67KP9
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50474919 (CHEMBL364924) Show SMILES Clc1ccc(cc1)S(=O)(=O)N1CC(C(=N1)c1ccc(Cl)c(Cl)c1)c1ccccc1 |c:14| Show InChI InChI=1S/C21H15Cl3N2O2S/c22-16-7-9-17(10-8-16)29(27,28)26-13-18(14-4-2-1-3-5-14)21(25-26)15-6-11-19(23)20(24)12-15/h1-12,18H,13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of fluorescent ligand from binding domain of progesterone receptor				Bioorg Med Chem Lett 15: 3203-6 (2005) Article DOI: 10.1016/j.bmcl.2005.05.001 BindingDB Entry DOI: 10.7270/Q2J67KP9
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50264693 (3-(4-(3-butyl-2-(4-fluorophenyl)naphthalen-1-yloxy...) Show SMILES CCCCc1cc2ccccc2c(Oc2ccc(\C=C\C(O)=O)cc2)c1-c1ccc(F)cc1 Show InChI InChI=1S/C29H25FO3/c1-2-3-6-23-19-22-7-4-5-8-26(22)29(28(23)21-12-14-24(30)15-13-21)33-25-16-9-20(10-17-25)11-18-27(31)32/h4-5,7-19H,2-3,6H2,1H3,(H,31,32)/b18-11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length biotinylated human ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 18: 5075-7 (2008) Article DOI: 10.1016/j.bmcl.2008.07.121 BindingDB Entry DOI: 10.7270/Q2C53KNF
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50264694 (3-(4-(3-butyl-2-(4-methoxyphenyl)naphthalen-1-ylox...) Show SMILES CCCCc1cc2ccccc2c(Oc2ccc(\C=C\C(O)=O)cc2)c1-c1ccc(OC)cc1 Show InChI InChI=1S/C30H28O4/c1-3-4-7-24-20-23-8-5-6-9-27(23)30(29(24)22-13-17-25(33-2)18-14-22)34-26-15-10-21(11-16-26)12-19-28(31)32/h5-6,8-20H,3-4,7H2,1-2H3,(H,31,32)/b19-12+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length biotinylated human ERalpha by scintillation proximity assay				Bioorg Med Chem Lett 18: 5075-7 (2008) Article DOI: 10.1016/j.bmcl.2008.07.121 BindingDB Entry DOI: 10.7270/Q2C53KNF
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50264694 (3-(4-(3-butyl-2-(4-methoxyphenyl)naphthalen-1-ylox...) Show SMILES CCCCc1cc2ccccc2c(Oc2ccc(\C=C\C(O)=O)cc2)c1-c1ccc(OC)cc1 Show InChI InChI=1S/C30H28O4/c1-3-4-7-24-20-23-8-5-6-9-27(23)30(29(24)22-13-17-25(33-2)18-14-22)34-26-15-10-21(11-16-26)12-19-28(31)32/h5-6,8-20H,3-4,7H2,1-2H3,(H,31,32)/b19-12+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	162	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length biotinylated human ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 18: 5075-7 (2008) Article DOI: 10.1016/j.bmcl.2008.07.121 BindingDB Entry DOI: 10.7270/Q2C53KNF
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50264692 (3-(4-(3-butyl-2-phenylnaphthalen-1-yloxy)phenyl)ac...) Show SMILES CCCCc1cc2ccccc2c(Oc2ccc(\C=C\C(O)=O)cc2)c1-c1ccccc1 Show InChI InChI=1S/C29H26O3/c1-2-3-9-24-20-23-12-7-8-13-26(23)29(28(24)22-10-5-4-6-11-22)32-25-17-14-21(15-18-25)16-19-27(30)31/h4-8,10-20H,2-3,9H2,1H3,(H,30,31)/b19-16+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length biotinylated human ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 18: 5075-7 (2008) Article DOI: 10.1016/j.bmcl.2008.07.121 BindingDB Entry DOI: 10.7270/Q2C53KNF
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50474914 (CHEMBL190198) Show SMILES CC1CC(=NN1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 |c:3| Show InChI InChI=1S/C16H13Cl3N2O2S/c1-10-8-16(11-2-7-14(18)15(19)9-11)20-21(10)24(22,23)13-5-3-12(17)4-6-13/h2-7,9-10H,8H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of 4 nM progesterone-stimulated transactivation of MMTV-Luc reporter in CV-1 cells expressing PR-B				Bioorg Med Chem Lett 15: 3203-6 (2005) Article DOI: 10.1016/j.bmcl.2005.05.001 BindingDB Entry DOI: 10.7270/Q2J67KP9
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50474915 (CHEMBL190900) Show SMILES Clc1ccc(cc1)S(=O)(=O)N1N=C(CC1c1ccccc1)c1ccc(Cl)c(Cl)c1 |c:12| Show InChI InChI=1S/C21H15Cl3N2O2S/c22-16-7-9-17(10-8-16)29(27,28)26-21(14-4-2-1-3-5-14)13-20(25-26)15-6-11-18(23)19(24)12-15/h1-12,21H,13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of 4 nM progesterone-stimulated transactivation of MMTV-Luc reporter in CV-1 cells expressing PR-B				Bioorg Med Chem Lett 15: 3203-6 (2005) Article DOI: 10.1016/j.bmcl.2005.05.001 BindingDB Entry DOI: 10.7270/Q2J67KP9
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50440737 (CHEMBL2431120) Show SMILES COc1ccccc1N1CCN(CC1)c1nc(nc2cc(OC)c(OC)cc12)C1CC1 Show InChI InChI=1S/C24H28N4O3/c1-29-20-7-5-4-6-19(20)27-10-12-28(13-11-27)24-17-14-21(30-2)22(31-3)15-18(17)25-23(26-24)16-8-9-16/h4-7,14-16H,8-13H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Binding affinity to sigma-1 receptor (unknown origin)				ACS Med Chem Lett 4: 846-851 (2013) Article DOI: 10.1021/ml400176n BindingDB Entry DOI: 10.7270/Q2959JZQ
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50264660 (3-(4-(3-(methoxymethyl)-2-phenylnaphthalen-1-yloxy...) Show SMILES COCc1cc2ccccc2c(Oc2ccc(\C=C\C(O)=O)cc2)c1-c1ccccc1 Show InChI InChI=1S/C27H22O4/c1-30-18-22-17-21-9-5-6-10-24(21)27(26(22)20-7-3-2-4-8-20)31-23-14-11-19(12-15-23)13-16-25(28)29/h2-17H,18H2,1H3,(H,28,29)/b16-13+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length biotinylated human ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 18: 5075-7 (2008) Article DOI: 10.1016/j.bmcl.2008.07.121 BindingDB Entry DOI: 10.7270/Q2C53KNF
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50264660 (3-(4-(3-(methoxymethyl)-2-phenylnaphthalen-1-yloxy...) Show SMILES COCc1cc2ccccc2c(Oc2ccc(\C=C\C(O)=O)cc2)c1-c1ccccc1 Show InChI InChI=1S/C27H22O4/c1-30-18-22-17-21-9-5-6-10-24(21)27(26(22)20-7-3-2-4-8-20)31-23-14-11-19(12-15-23)13-16-25(28)29/h2-17H,18H2,1H3,(H,28,29)/b16-13+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	692	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length biotinylated human ERalpha by scintillation proximity assay				Bioorg Med Chem Lett 18: 5075-7 (2008) Article DOI: 10.1016/j.bmcl.2008.07.121 BindingDB Entry DOI: 10.7270/Q2C53KNF
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50264693 (3-(4-(3-butyl-2-(4-fluorophenyl)naphthalen-1-yloxy...) Show SMILES CCCCc1cc2ccccc2c(Oc2ccc(\C=C\C(O)=O)cc2)c1-c1ccc(F)cc1 Show InChI InChI=1S/C29H25FO3/c1-2-3-6-23-19-22-7-4-5-8-26(22)29(28(23)21-12-14-24(30)15-13-21)33-25-16-9-20(10-17-25)11-18-27(31)32/h4-5,7-19H,2-3,6H2,1H3,(H,31,32)/b18-11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	724	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length biotinylated human ERalpha by scintillation proximity assay				Bioorg Med Chem Lett 18: 5075-7 (2008) Article DOI: 10.1016/j.bmcl.2008.07.121 BindingDB Entry DOI: 10.7270/Q2C53KNF
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50474911 (CHEMBL192314) Show SMILES CN(C)c1ccc(cc1)C1CN(N=C1c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 |c:13| Show InChI InChI=1S/C23H20Cl3N3O2S/c1-28(2)18-8-3-15(4-9-18)20-14-29(32(30,31)19-10-6-17(24)7-11-19)27-23(20)16-5-12-21(25)22(26)13-16/h3-13,20H,14H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of 4 nM progesterone-stimulated transactivation of MMTV-Luc reporter in CV-1 cells expressing PR-B				Bioorg Med Chem Lett 15: 3203-6 (2005) Article DOI: 10.1016/j.bmcl.2005.05.001 BindingDB Entry DOI: 10.7270/Q2J67KP9
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50264692 (3-(4-(3-butyl-2-phenylnaphthalen-1-yloxy)phenyl)ac...) Show SMILES CCCCc1cc2ccccc2c(Oc2ccc(\C=C\C(O)=O)cc2)c1-c1ccccc1 Show InChI InChI=1S/C29H26O3/c1-2-3-9-24-20-23-12-7-8-13-26(23)29(28(24)22-10-5-4-6-11-22)32-25-17-14-21(15-18-25)16-19-27(30)31/h4-8,10-20H,2-3,9H2,1H3,(H,30,31)/b19-16+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	977	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length biotinylated human ERalpha by scintillation proximity assay				Bioorg Med Chem Lett 18: 5075-7 (2008) Article DOI: 10.1016/j.bmcl.2008.07.121 BindingDB Entry DOI: 10.7270/Q2C53KNF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50440737 (CHEMBL2431120) Show SMILES COc1ccccc1N1CCN(CC1)c1nc(nc2cc(OC)c(OC)cc12)C1CC1 Show InChI InChI=1S/C24H28N4O3/c1-29-20-7-5-4-6-19(20)27-10-12-28(13-11-27)24-17-14-21(30-2)22(31-3)15-18(17)25-23(26-24)16-8-9-16/h4-7,14-16H,8-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Binding affinity to 5-HT3 receptor (unknown origin)				ACS Med Chem Lett 4: 846-851 (2013) Article DOI: 10.1021/ml400176n BindingDB Entry DOI: 10.7270/Q2959JZQ
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50440737 (CHEMBL2431120) Show SMILES COc1ccccc1N1CCN(CC1)c1nc(nc2cc(OC)c(OC)cc12)C1CC1 Show InChI InChI=1S/C24H28N4O3/c1-29-20-7-5-4-6-19(20)27-10-12-28(13-11-27)24-17-14-21(30-2)22(31-3)15-18(17)25-23(26-24)16-8-9-16/h4-7,14-16H,8-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.42E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Binding affinity to histamine H1 receptor (unknown origin)				ACS Med Chem Lett 4: 846-851 (2013) Article DOI: 10.1021/ml400176n BindingDB Entry DOI: 10.7270/Q2959JZQ
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50474912 (CHEMBL190264) Show SMILES CN(C)c1ccc(cc1)[C@@H]1CN(N=C1c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 |c:13| Show InChI InChI=1S/C23H20Cl3N3O2S/c1-28(2)18-8-3-15(4-9-18)20-14-29(32(30,31)19-10-6-17(24)7-11-19)27-23(20)16-5-12-21(25)22(26)13-16/h3-13,20H,14H2,1-2H3/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of 4 nM progesterone-stimulated transactivation of MMTV-Luc reporter in CV-1 cells expressing PR-B				Bioorg Med Chem Lett 15: 3203-6 (2005) Article DOI: 10.1016/j.bmcl.2005.05.001 BindingDB Entry DOI: 10.7270/Q2J67KP9
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50474913 (CHEMBL192859) Show SMILES C[C@@H]1CN(N=C1c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 |c:4| Show InChI InChI=1S/C16H13Cl3N2O2S/c1-10-9-21(24(22,23)13-5-3-12(17)4-6-13)20-16(10)11-2-7-14(18)15(19)8-11/h2-8,10H,9H2,1H3/t10-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of fluorescent ligand from binding domain of progesterone receptor				Bioorg Med Chem Lett 15: 3203-6 (2005) Article DOI: 10.1016/j.bmcl.2005.05.001 BindingDB Entry DOI: 10.7270/Q2J67KP9
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50440737 (CHEMBL2431120) Show SMILES COc1ccccc1N1CCN(CC1)c1nc(nc2cc(OC)c(OC)cc12)C1CC1 Show InChI InChI=1S/C24H28N4O3/c1-29-20-7-5-4-6-19(20)27-10-12-28(13-11-27)24-17-14-21(30-2)22(31-3)15-18(17)25-23(26-24)16-8-9-16/h4-7,14-16H,8-13H2,1-3H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2.54E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Binding affinity to PBR receptor (unknown origin)				ACS Med Chem Lett 4: 846-851 (2013) Article DOI: 10.1021/ml400176n BindingDB Entry DOI: 10.7270/Q2959JZQ
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50474918 (CHEMBL373299) Show SMILES CN(C)c1ccc(cc1)[C@H]1CN(N=C1c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 |c:13| Show InChI InChI=1S/C23H20Cl3N3O2S/c1-28(2)18-8-3-15(4-9-18)20-14-29(32(30,31)19-10-6-17(24)7-11-19)27-23(20)16-5-12-21(25)22(26)13-16/h3-13,20H,14H2,1-2H3/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of 4 nM progesterone-stimulated transactivation of MMTV-Luc reporter in CV-1 cells expressing PR-B				Bioorg Med Chem Lett 15: 3203-6 (2005) Article DOI: 10.1016/j.bmcl.2005.05.001 BindingDB Entry DOI: 10.7270/Q2J67KP9
					More data for this Ligand-Target Pair
Neurotensin receptor type 1 (Homo sapiens (Human))	BDBM50248035 ((2S)-2-(1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxy...) Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,wD:29.32,(30.54,-1.43,;31.88,-2.19,;31.89,-3.73,;30.56,-4.51,;30.55,-6.06,;31.89,-6.83,;33.22,-6.06,;34.56,-6.82,;34.56,-8.36,;33.22,-4.5,;34.55,-3.73,;35.96,-4.35,;36.99,-3.2,;36.21,-1.87,;34.7,-2.19,;33.56,-1.17,;32.1,-1.66,;30.95,-.64,;31.26,.88,;32.73,1.36,;33.04,2.86,;34.49,3.34,;34.8,4.85,;35.65,2.32,;35.33,.81,;33.87,.33,;38.53,-3.36,;39.15,-4.76,;39.42,-2.1,;40.96,-2.26,;41.59,-3.65,;43.13,-3.81,;43.76,-5.2,;44.02,-2.56,;41.86,-1.01,;43.4,-1.16,;41.24,.4,)| Show InChI InChI=1S/C27H27ClN4O5/c1-15(2)12-20(27(34)35)30-26(33)19-14-22(25-23(36-3)6-5-7-24(25)37-4)32(31-19)21-10-11-29-18-13-16(28)8-9-17(18)21/h5-11,13-15,20H,12H2,1-4H3,(H,30,33)(H,34,35)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Inhibition of NTS1 receptor (unknown origin)				Bioorg Med Chem Lett 24: 262-7 (2013) Article DOI: 10.1016/j.bmcl.2013.11.026 BindingDB Entry DOI: 10.7270/Q2NV9KQ0
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50248035 ((2S)-2-(1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxy...) Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,wD:29.32,(30.54,-1.43,;31.88,-2.19,;31.89,-3.73,;30.56,-4.51,;30.55,-6.06,;31.89,-6.83,;33.22,-6.06,;34.56,-6.82,;34.56,-8.36,;33.22,-4.5,;34.55,-3.73,;35.96,-4.35,;36.99,-3.2,;36.21,-1.87,;34.7,-2.19,;33.56,-1.17,;32.1,-1.66,;30.95,-.64,;31.26,.88,;32.73,1.36,;33.04,2.86,;34.49,3.34,;34.8,4.85,;35.65,2.32,;35.33,.81,;33.87,.33,;38.53,-3.36,;39.15,-4.76,;39.42,-2.1,;40.96,-2.26,;41.59,-3.65,;43.13,-3.81,;43.76,-5.2,;44.02,-2.56,;41.86,-1.01,;43.4,-1.16,;41.24,.4,)| Show InChI InChI=1S/C27H27ClN4O5/c1-15(2)12-20(27(34)35)30-26(33)19-14-22(25-23(36-3)6-5-7-24(25)37-4)32(31-19)21-10-11-29-18-13-16(28)8-9-17(18)21/h5-11,13-15,20H,12H2,1-4H3,(H,30,33)(H,34,35)/t20-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Inhibition of MOR (unknown origin)				Bioorg Med Chem Lett 24: 262-7 (2013) Article DOI: 10.1016/j.bmcl.2013.11.026 BindingDB Entry DOI: 10.7270/Q2NV9KQ0
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50474913 (CHEMBL192859) Show SMILES C[C@@H]1CN(N=C1c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 |c:4| Show InChI InChI=1S/C16H13Cl3N2O2S/c1-10-9-21(24(22,23)13-5-3-12(17)4-6-13)20-16(10)11-2-7-14(18)15(19)8-11/h2-8,10H,9H2,1H3/t10-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of 4 nM progesterone-stimulated transactivation of MMTV-Luc reporter in CV-1 cells expressing PR-B				Bioorg Med Chem Lett 15: 3203-6 (2005) Article DOI: 10.1016/j.bmcl.2005.05.001 BindingDB Entry DOI: 10.7270/Q2J67KP9
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50248035 ((2S)-2-(1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxy...) Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,wD:29.32,(30.54,-1.43,;31.88,-2.19,;31.89,-3.73,;30.56,-4.51,;30.55,-6.06,;31.89,-6.83,;33.22,-6.06,;34.56,-6.82,;34.56,-8.36,;33.22,-4.5,;34.55,-3.73,;35.96,-4.35,;36.99,-3.2,;36.21,-1.87,;34.7,-2.19,;33.56,-1.17,;32.1,-1.66,;30.95,-.64,;31.26,.88,;32.73,1.36,;33.04,2.86,;34.49,3.34,;34.8,4.85,;35.65,2.32,;35.33,.81,;33.87,.33,;38.53,-3.36,;39.15,-4.76,;39.42,-2.1,;40.96,-2.26,;41.59,-3.65,;43.13,-3.81,;43.76,-5.2,;44.02,-2.56,;41.86,-1.01,;43.4,-1.16,;41.24,.4,)| Show InChI InChI=1S/C27H27ClN4O5/c1-15(2)12-20(27(34)35)30-26(33)19-14-22(25-23(36-3)6-5-7-24(25)37-4)32(31-19)21-10-11-29-18-13-16(28)8-9-17(18)21/h5-11,13-15,20H,12H2,1-4H3,(H,30,33)(H,34,35)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Inhibition of DOR (unknown origin)				Bioorg Med Chem Lett 24: 262-7 (2013) Article DOI: 10.1016/j.bmcl.2013.11.026 BindingDB Entry DOI: 10.7270/Q2NV9KQ0
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50474915 (CHEMBL190900) Show SMILES Clc1ccc(cc1)S(=O)(=O)N1N=C(CC1c1ccccc1)c1ccc(Cl)c(Cl)c1 |c:12| Show InChI InChI=1S/C21H15Cl3N2O2S/c22-16-7-9-17(10-8-16)29(27,28)26-21(14-4-2-1-3-5-14)13-20(25-26)15-6-11-18(23)19(24)12-15/h1-12,21H,13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of fluorescent ligand from binding domain of progesterone receptor				Bioorg Med Chem Lett 15: 3203-6 (2005) Article DOI: 10.1016/j.bmcl.2005.05.001 BindingDB Entry DOI: 10.7270/Q2J67KP9
					More data for this Ligand-Target Pair
Neurotensin receptor type 1 (Homo sapiens (Human))	BDBM50444943 (CHEMBL3099773) Show SMILES COc1cccc(OC)c1-c1nc(cn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,wD:29.32,(2.93,-10.42,;4.07,-9.39,;3.75,-7.88,;2.29,-7.41,;1.96,-5.9,;3.1,-4.87,;4.57,-5.34,;5.71,-4.31,;5.39,-2.81,;4.89,-6.85,;6.34,-7.32,;6.82,-8.79,;8.36,-8.78,;8.84,-7.32,;7.59,-6.41,;7.59,-4.87,;6.26,-4.1,;6.26,-2.56,;7.59,-1.79,;8.92,-2.55,;10.25,-1.78,;11.59,-2.54,;12.91,-1.76,;11.59,-4.09,;10.26,-4.86,;8.92,-4.1,;9.27,-10.03,;8.65,-11.43,;10.8,-9.86,;11.71,-11.11,;11.09,-12.51,;12,-13.76,;11.37,-15.17,;13.53,-13.59,;13.24,-10.94,;14.16,-12.18,;13.87,-9.53,)| Show InChI InChI=1S/C27H27ClN4O5/c1-15(2)12-19(27(34)35)31-26(33)20-14-32(21-10-11-29-18-13-16(28)8-9-17(18)21)25(30-20)24-22(36-3)6-5-7-23(24)37-4/h5-11,13-15,19H,12H2,1-4H3,(H,31,33)(H,34,35)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Inhibition of NTS1 receptor (unknown origin)				Bioorg Med Chem Lett 24: 262-7 (2013) Article DOI: 10.1016/j.bmcl.2013.11.026 BindingDB Entry DOI: 10.7270/Q2NV9KQ0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50248035 ((2S)-2-(1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxy...) Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,wD:29.32,(30.54,-1.43,;31.88,-2.19,;31.89,-3.73,;30.56,-4.51,;30.55,-6.06,;31.89,-6.83,;33.22,-6.06,;34.56,-6.82,;34.56,-8.36,;33.22,-4.5,;34.55,-3.73,;35.96,-4.35,;36.99,-3.2,;36.21,-1.87,;34.7,-2.19,;33.56,-1.17,;32.1,-1.66,;30.95,-.64,;31.26,.88,;32.73,1.36,;33.04,2.86,;34.49,3.34,;34.8,4.85,;35.65,2.32,;35.33,.81,;33.87,.33,;38.53,-3.36,;39.15,-4.76,;39.42,-2.1,;40.96,-2.26,;41.59,-3.65,;43.13,-3.81,;43.76,-5.2,;44.02,-2.56,;41.86,-1.01,;43.4,-1.16,;41.24,.4,)| Show InChI InChI=1S/C27H27ClN4O5/c1-15(2)12-20(27(34)35)30-26(33)19-14-22(25-23(36-3)6-5-7-24(25)37-4)32(31-19)21-10-11-29-18-13-16(28)8-9-17(18)21/h5-11,13-15,20H,12H2,1-4H3,(H,30,33)(H,34,35)/t20-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Inhibition of DAT (unknown origin)				Bioorg Med Chem Lett 24: 262-7 (2013) Article DOI: 10.1016/j.bmcl.2013.11.026 BindingDB Entry DOI: 10.7270/Q2NV9KQ0
					More data for this Ligand-Target Pair

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