Compile Data Set for Download or QSAR

Found 1038 hits with Last Name = 'peukert' and Initial = 's'   

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 (Homo sapiens (Human))	BDBM50169743 ((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...) Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc1cc(O)ccc31 |r| Show InChI InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as inhibition of insulin-mediated cell proliferation after 6 days by Hoechst 33258 dye-...				J Med Chem 60: 2790-2818 (2017) Article DOI: 10.1021/acs.jmedchem.6b01468 BindingDB Entry DOI: 10.7270/Q2DB845Q
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM642078 (US11845730, Example 9-peak-1) Show SMILES OCC[C@H](O)c1cc(F)c(CN[C@H]2C[C@@H](C2)Oc2ccc(F)c(c2)C(F)(F)F)c2ccncc12 |r,wU:12.11,wD:3.3,14.16,(-6.28,-6.22,;-6.28,-4.68,;-7.61,-3.91,;-7.61,-2.37,;-8.95,-1.6,;-6.28,-1.6,;-4.94,-2.37,;-3.61,-1.6,;-2.28,-2.37,;-3.61,-.06,;-2.28,.71,;-2.28,2.25,;-.94,3.02,;-.54,4.51,;.94,4.11,;.54,2.63,;2.28,4.88,;3.61,4.11,;3.61,2.57,;4.94,1.8,;6.28,2.57,;7.61,1.8,;6.33,4.14,;4.94,4.88,;7.66,4.91,;8.99,5.68,;6.89,6.24,;8.43,3.58,;-4.94,.71,;-4.94,2.25,;-6.28,3.02,;-7.61,2.25,;-7.61,.71,;-6.28,-.06,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM642142 (US11845730, Example 69) Show SMILES Nc1cc2c(CC(=O)N[C@H]3C[C@@H](C3)Oc3ccc(F)c(c3)C(F)(F)F)c(F)ccc2cn1 |r,wU:9.8,wD:11.13,(-8.96,-2.34,;-7.62,-3.11,;-6.29,-2.34,;-4.95,-3.11,;-3.62,-2.34,;-3.62,-.8,;-2.29,-.03,;-.95,-.8,;-2.29,1.51,;-.95,2.28,;-.56,3.76,;.93,3.37,;.53,1.88,;2.27,4.14,;3.6,3.37,;3.58,1.83,;4.9,1.04,;6.24,1.79,;7.57,1,;6.31,3.35,;4.94,4.12,;7.66,4.11,;9,4.86,;6.91,5.45,;8.41,2.76,;-2.29,-3.11,;-.95,-2.34,;-2.29,-4.65,;-3.62,-5.42,;-4.95,-4.65,;-6.29,-5.42,;-7.62,-4.65,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269467 ((E)-3-(4-((2-(2-(1,1- difluoroethyl)phenyl)-6- hyd...) Show SMILES CC(F)(F)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C25H18F2O4S/c1-25(26,27)20-5-3-2-4-18(20)24-23(19-12-9-16(28)14-21(19)32-24)31-17-10-6-15(7-11-17)8-13-22(29)30/h2-14,28H,1H3,(H,29,30)/b13-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269446 ((E)-3-(4-((7-fluoro-6- hydroxy-2-(2- isopropylphen...) Show SMILES CC(C)c1ccccc1-c1sc2c(F)c(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C26H21FO4S/c1-15(2)18-5-3-4-6-19(18)26-24(20-12-13-21(28)23(27)25(20)32-26)31-17-10-7-16(8-11-17)9-14-22(29)30/h3-15,28H,1-2H3,(H,29,30)/b14-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269484 (US10058534, 139) Show SMILES CC(F)(F)c1cc(F)ccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C25H17F3O4S/c1-25(27,28)20-12-15(26)5-9-18(20)24-23(19-10-6-16(29)13-21(19)33-24)32-17-7-2-14(3-8-17)4-11-22(30)31/h2-13,29H,1H3,(H,30,31)/b11-4+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM269453 ((E)-3-(4-((2-(5-fluoro- 2-(2,2,2- trifluoroethyl)p...) Show SMILES OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2cc(F)ccc2CC(F)(F)F)cc1 Show InChI InChI=1S/C25H16F4O4S/c26-16-5-4-15(13-25(27,28)29)20(11-16)24-23(19-9-6-17(30)12-21(19)34-24)33-18-7-1-14(2-8-18)3-10-22(31)32/h1-12,30H,13H2,(H,31,32)/b10-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269454 ((E)-3-(4-((6-hydroxy-2- (2-(2,2,2- trifluoroethyl)...) Show SMILES OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccccc2CC(F)(F)F)cc1 Show InChI InChI=1S/C25H17F3O4S/c26-25(27,28)14-16-3-1-2-4-19(16)24-23(20-11-8-17(29)13-21(20)33-24)32-18-9-5-15(6-10-18)7-12-22(30)31/h1-13,29H,14H2,(H,30,31)/b12-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269431 ((E)-3-(4-((2-(2-(sec- butyl)phenyl)-6- hydroxybenz...) Show SMILES CCC(C)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C27H24O4S/c1-3-17(2)21-6-4-5-7-22(21)27-26(23-14-11-19(28)16-24(23)32-27)31-20-12-8-18(9-13-20)10-15-25(29)30/h4-17,28H,3H2,1-2H3,(H,29,30)/b15-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269467 ((E)-3-(4-((2-(2-(1,1- difluoroethyl)phenyl)-6- hyd...) Show SMILES CC(F)(F)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C25H18F2O4S/c1-25(26,27)20-5-3-2-4-18(20)24-23(19-12-9-16(28)14-21(19)32-24)31-17-10-6-15(7-11-17)8-13-22(29)30/h2-14,28H,1H3,(H,29,30)/b13-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Induction of selective estrogen receptor alpha degradation in human MCF7 cells after 18 to 24 hrs by in-cell Western analysis				J Med Chem 61: 2837-2864 (2018) Article DOI: 10.1021/acs.jmedchem.7b01682 BindingDB Entry DOI: 10.7270/Q2TB1986
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269484 (US10058534, 139) Show SMILES CC(F)(F)c1cc(F)ccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C25H17F3O4S/c1-25(27,28)20-12-15(26)5-9-18(20)24-23(19-10-6-16(29)13-21(19)33-24)32-17-7-2-14(3-8-17)4-11-22(30)31/h2-13,29H,1H3,(H,30,31)/b11-4+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Induction of selective estrogen receptor alpha degradation in human MCF7 cells after 18 to 24 hrs by in-cell Western analysis				J Med Chem 61: 2837-2864 (2018) Article DOI: 10.1021/acs.jmedchem.7b01682 BindingDB Entry DOI: 10.7270/Q2TB1986
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM269433 ((E)-3-(4-((2-(4-fluoro- 2-(2,2,2- trifluoroethyl)p...) Show SMILES OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(F)cc2CC(F)(F)F)cc1 Show InChI InChI=1S/C25H16F4O4S/c26-16-4-8-19(15(11-16)13-25(27,28)29)24-23(20-9-5-17(30)12-21(20)34-24)33-18-6-1-14(2-7-18)3-10-22(31)32/h1-12,30H,13H2,(H,31,32)/b10-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269456 ((E)-3-(4-((2-(2-(1- fluoroethyl)phenyl)-6- hydroxy...) Show SMILES CC(F)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C25H19FO4S/c1-15(26)19-4-2-3-5-20(19)25-24(21-12-9-17(27)14-22(21)31-25)30-18-10-6-16(7-11-18)8-13-23(28)29/h2-15,27H,1H3,(H,28,29)/b13-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Induction of selective estrogen receptor alpha degradation in human MCF7 cells after 18 to 24 hrs by in-cell Western analysis				J Med Chem 61: 2837-2864 (2018) Article DOI: 10.1021/acs.jmedchem.7b01682 BindingDB Entry DOI: 10.7270/Q2TB1986
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269456 ((E)-3-(4-((2-(2-(1- fluoroethyl)phenyl)-6- hydroxy...) Show SMILES CC(F)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C25H19FO4S/c1-15(26)19-4-2-3-5-20(19)25-24(21-12-9-17(27)14-22(21)31-25)30-18-10-6-16(7-11-18)8-13-23(28)29/h2-15,27H,1H3,(H,28,29)/b13-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269432 ((E)-3-(4-((2-(2- cyclopentylphenyl)-6- hydroxybenz...) Show SMILES OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccccc2C2CCCC2)cc1 Show InChI InChI=1S/C28H24O4S/c29-20-12-15-24-25(17-20)33-28(23-8-4-3-7-22(23)19-5-1-2-6-19)27(24)32-21-13-9-18(10-14-21)11-16-26(30)31/h3-4,7-17,19,29H,1-2,5-6H2,(H,30,31)/b16-11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50237304 (CHEMBL4093325) Show SMILES CC1(N(CCc2cc(O)ccc12)c1ccc(cc1)C1CC1)c1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C28H27NO3/c1-28(23-9-2-19(3-10-23)4-15-27(31)32)26-14-13-25(30)18-22(26)16-17-29(28)24-11-7-21(8-12-24)20-5-6-20/h2-4,7-15,18,20,30H,5-6,16-17H2,1H3,(H,31,32)/b15-4+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description In vitro binding affinity at human cloned dopamine receptor D2 (short) stably expressed in CHO cells by [3H]spiperone displacement.				J Med Chem 60: 2790-2818 (2017) Article DOI: 10.1021/acs.jmedchem.6b01468 BindingDB Entry DOI: 10.7270/Q2DB845Q
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269308 ((E)-3-(4-((6-hydroxy-2- (2-isopropylphenyl)- benzo...) Show SMILES CC(C)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C26H22O4S/c1-16(2)20-5-3-4-6-21(20)26-25(22-13-10-18(27)15-23(22)31-26)30-19-11-7-17(8-12-19)9-14-24(28)29/h3-16,27H,1-2H3,(H,28,29)/b14-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50237322 (CHEMBL4088736) Show SMILES CC(C)Cc1ccc(N2CCc3cc(O)ccc3C2(C)c2ccc(\C=C\C(O)=O)cc2)c(F)c1 Show InChI InChI=1S/C29H30FNO3/c1-19(2)16-21-6-12-27(26(30)17-21)31-15-14-22-18-24(32)10-11-25(22)29(31,3)23-8-4-20(5-9-23)7-13-28(33)34/h4-13,17-19,32H,14-16H2,1-3H3,(H,33,34)/b13-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells after 18 to 24 hrs by Western blot analysis				J Med Chem 60: 2790-2818 (2017) Article DOI: 10.1021/acs.jmedchem.6b01468 BindingDB Entry DOI: 10.7270/Q2DB845Q
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269308 ((E)-3-(4-((6-hydroxy-2- (2-isopropylphenyl)- benzo...) Show SMILES CC(C)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C26H22O4S/c1-16(2)20-5-3-4-6-21(20)26-25(22-13-10-18(27)15-23(22)31-26)30-19-11-7-17(8-12-19)9-14-24(28)29/h3-16,27H,1-2H3,(H,28,29)/b14-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Induction of selective estrogen receptor alpha degradation in human MCF7 cells after 18 to 24 hrs by in-cell Western analysis				J Med Chem 61: 2837-2864 (2018) Article DOI: 10.1021/acs.jmedchem.7b01682 BindingDB Entry DOI: 10.7270/Q2TB1986
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM642176 (US11845730, Example 103) Show SMILES OCc1cc(F)c(CC(=O)N[C@H]2C[C@@H](C2)Oc2ccc(F)c(c2)C(F)(F)F)c2ccncc12 |r,wU:11.10,wD:13.15,(-5.61,-6.6,;-4.28,-5.83,;-4.28,-4.29,;-2.94,-3.52,;-2.94,-1.98,;-1.61,-1.21,;-4.28,-1.21,;-4.28,.33,;-2.94,1.1,;-1.61,.33,;-2.94,2.64,;-1.61,3.41,;-1.21,4.9,;.28,4.5,;-.12,3.01,;1.61,5.27,;2.94,4.5,;2.94,2.96,;4.28,2.19,;5.61,2.96,;6.94,2.19,;5.66,4.53,;4.28,5.27,;6.99,5.3,;8.33,6.07,;6.22,6.63,;7.76,3.96,;-5.61,-1.98,;-6.94,-1.21,;-8.28,-1.98,;-8.28,-3.52,;-6.94,-4.29,;-5.61,-3.52,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50237317 (CHEMBL4098286) Show SMILES CC1(N(CCc2cc(O)ccc12)c1ccc(CC(F)(F)F)cc1)c1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C27H24F3NO3/c1-26(21-7-2-18(3-8-21)6-13-25(33)34)24-12-11-23(32)16-20(24)14-15-31(26)22-9-4-19(5-10-22)17-27(28,29)30/h2-13,16,32H,14-15,17H2,1H3,(H,33,34)/b13-6+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells after 18 to 24 hrs by Western blot analysis				J Med Chem 60: 2790-2818 (2017) Article DOI: 10.1021/acs.jmedchem.6b01468 BindingDB Entry DOI: 10.7270/Q2DB845Q
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269455 ((E)-3-(4-((2-(4-fluoro- 2-isopropylphenyl)-6- hydr...) Show SMILES CC(C)c1cc(F)ccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C26H21FO4S/c1-15(2)22-13-17(27)6-10-20(22)26-25(21-11-7-18(28)14-23(21)32-26)31-19-8-3-16(4-9-19)5-12-24(29)30/h3-15,28H,1-2H3,(H,29,30)/b12-5+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269434 ((E)-3-(4-((2-(2- cyclobutylphenyl)-6- hydroxybenzo...) Show SMILES OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccccc2C2CCC2)cc1 Show InChI InChI=1S/C27H22O4S/c28-19-11-14-23-24(16-19)32-27(22-7-2-1-6-21(22)18-4-3-5-18)26(23)31-20-12-8-17(9-13-20)10-15-25(29)30/h1-2,6-16,18,28H,3-5H2,(H,29,30)/b15-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50090462 (CHEMBL3581693 | US20240043442, Example GDC-0810) Show SMILES CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl Show InChI InChI=1S/C26H20ClFN2O2/c1-2-21(22-10-9-20(28)14-23(22)27)26(18-8-11-24-19(13-18)15-29-30-24)17-6-3-16(4-7-17)5-12-25(31)32/h3-15H,2H2,1H3,(H,29,30)(H,31,32)/b12-5+,26-21+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Induction of selective estrogen receptor alpha degradation in human MCF7 cells after 18 to 24 hrs by in-cell Western analysis				J Med Chem 61: 2837-2864 (2018) Article DOI: 10.1021/acs.jmedchem.7b01682 BindingDB Entry DOI: 10.7270/Q2TB1986
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM642080 (US11845730, Example 9-racemic) Show SMILES OCCC(O)c1cc(F)c(CN[C@H]2C[C@@H](C2)Oc2ccc(F)c(c2)C(F)(F)F)c2ccncc12 |r,wU:12.11,wD:14.16,(-6.28,-6.22,;-6.28,-4.68,;-7.61,-3.91,;-7.61,-2.37,;-8.95,-1.6,;-6.28,-1.6,;-4.94,-2.37,;-3.61,-1.6,;-2.28,-2.37,;-3.61,-.06,;-2.28,.71,;-2.28,2.25,;-.94,3.02,;-.54,4.51,;.94,4.11,;.54,2.63,;2.28,4.88,;3.61,4.11,;3.61,2.57,;4.94,1.8,;6.28,2.57,;7.61,1.8,;6.33,4.14,;4.94,4.88,;7.66,4.91,;8.99,5.68,;6.89,6.24,;8.43,3.58,;-4.94,.71,;-4.94,2.25,;-6.28,3.02,;-7.61,2.25,;-7.61,.71,;-6.28,-.06,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.580	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50237332 (CHEMBL4078937) Show SMILES CC1(N(CCc2cc(O)ccc12)c1ccc(CC2CC2)cc1)c1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C29H29NO3/c1-29(24-9-4-20(5-10-24)8-15-28(32)33)27-14-13-26(31)19-23(27)16-17-30(29)25-11-6-22(7-12-25)18-21-2-3-21/h4-15,19,21,31H,2-3,16-18H2,1H3,(H,32,33)/b15-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells after 18 to 24 hrs by Western blot analysis				J Med Chem 60: 2790-2818 (2017) Article DOI: 10.1021/acs.jmedchem.6b01468 BindingDB Entry DOI: 10.7270/Q2DB845Q
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50237305 (CHEMBL4072611) Show SMILES CC1(N(CCc2cc(O)ccc12)c1ccc(cc1)C1CCC1)c1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C29H29NO3/c1-29(24-10-5-20(6-11-24)7-16-28(32)33)27-15-14-26(31)19-23(27)17-18-30(29)25-12-8-22(9-13-25)21-3-2-4-21/h5-16,19,21,31H,2-4,17-18H2,1H3,(H,32,33)/b16-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Affinity of compound for Dopamine receptor D2 in rat striatal membrane determined for antagonist state (low affinity state, D2 Low) with [3H]spiperon...				J Med Chem 60: 2790-2818 (2017) Article DOI: 10.1021/acs.jmedchem.6b01468 BindingDB Entry DOI: 10.7270/Q2DB845Q
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269457 ((E)-3-(4-((6-hydroxy-2- (2- (trifluoromethoxy)phen...) Show SMILES OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccccc2OC(F)(F)F)cc1 Show InChI InChI=1S/C24H15F3O5S/c25-24(26,27)32-19-4-2-1-3-17(19)23-22(18-11-8-15(28)13-20(18)33-23)31-16-9-5-14(6-10-16)7-12-21(29)30/h1-13,28H,(H,29,30)/b12-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269447 ((E)-2-(2- isopropylphenyl)-3-(4- (2-(5-methyl-1,3,...) Show SMILES CC(C)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\c2nnc(C)o2)cc1 Show InChI InChI=1S/C28H24N2O3S/c1-17(2)22-6-4-5-7-23(22)28-27(24-14-11-20(31)16-25(24)34-28)33-21-12-8-19(9-13-21)10-15-26-30-29-18(3)32-26/h4-17,31H,1-3H3/b15-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit (Homo sapiens (Human))	BDBM50277189 ((R)-6-methyl-N-(2-(thiazol-2-ylmethylamino)-2,3-di...) Show SMILES Cc1cccc(C(=O)Nc2ccc3C[C@H](Cc3c2)NCc2nccs2)c1-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C28H24F3N3OS/c1-17-3-2-4-24(26(17)18-5-8-21(9-6-18)28(29,30)31)27(35)34-22-10-7-19-13-23(15-20(19)14-22)33-16-25-32-11-12-36-25/h2-12,14,23,33H,13,15-16H2,1H3,(H,34,35)/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of MTP in human HepG2 cells assessed as apolipoprotein B production by ELISA				Bioorg Med Chem Lett 19: 328-31 (2008) Article DOI: 10.1016/j.bmcl.2008.11.096 BindingDB Entry DOI: 10.7270/Q29887ZN
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM642074 (US11845730, Example 7-peak-1) Show SMILES OC[C@H](O)c1cc(F)c(CN[C@H]2C[C@@H](C2)Oc2ccc(F)c(c2)C(F)(F)F)c2ccncc12 |r,wU:11.10,wD:2.2,13.15,(-5.55,-8.28,;-4.78,-6.94,;-5.55,-5.61,;-7.09,-5.61,;-4.78,-4.28,;-3.24,-4.28,;-2.47,-2.94,;-.93,-2.94,;-3.24,-1.61,;-2.47,-.28,;-.93,-.28,;-.16,1.06,;-.56,2.55,;.93,2.94,;1.33,1.46,;1.7,4.28,;3.24,4.28,;4.01,2.94,;5.55,2.94,;6.32,4.28,;7.86,4.28,;5.58,5.66,;4.01,5.61,;6.35,6.99,;7.12,8.33,;5.01,7.76,;7.68,6.22,;-4.78,-1.61,;-5.55,-.28,;-7.09,-.28,;-7.86,-1.61,;-7.09,-2.94,;-5.55,-2.94,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.620	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50237306 (CHEMBL4076352) Show SMILES CC(C)Cc1ccc(cc1)N1CCc2cc(O)ccc2C1(C)c1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C29H31NO3/c1-20(2)18-22-6-11-25(12-7-22)30-17-16-23-19-26(31)13-14-27(23)29(30,3)24-9-4-21(5-10-24)8-15-28(32)33/h4-15,19-20,31H,16-18H2,1-3H3,(H,32,33)/b15-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells after 18 to 24 hrs by Western blot analysis				J Med Chem 60: 2790-2818 (2017) Article DOI: 10.1021/acs.jmedchem.6b01468 BindingDB Entry DOI: 10.7270/Q2DB845Q
					More data for this Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit (Homo sapiens (Human))	BDBM50107789 ((R)-methyl 5-(6-methyl-4'-(trifluoromethyl)bipheny...) Show SMILES COC(=O)N[C@@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(cc3)C(F)(F)F)cc2C1 |r| Show InChI InChI=1S/C26H23F3N2O3/c1-15-4-3-5-22(23(15)16-6-9-19(10-7-16)26(27,28)29)24(32)30-20-11-8-17-12-21(14-18(17)13-20)31-25(33)34-2/h3-11,13,21H,12,14H2,1-2H3,(H,30,32)(H,31,33)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of MTP in human HepG2 cells assessed as apolipoprotein B production by ELISA				Bioorg Med Chem Lett 19: 328-31 (2008) Article DOI: 10.1016/j.bmcl.2008.11.096 BindingDB Entry DOI: 10.7270/Q29887ZN
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50237302 (CHEMBL4101697) Show SMILES CC(C)c1ccc(cc1)N1CCc2cc(O)ccc2C1(C)c1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C28H29NO3/c1-19(2)21-7-11-24(12-8-21)29-17-16-22-18-25(30)13-14-26(22)28(29,3)23-9-4-20(5-10-23)6-15-27(31)32/h4-15,18-19,30H,16-17H2,1-3H3,(H,31,32)/b15-6+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells after 18 to 24 hrs by Western blot analysis				J Med Chem 60: 2790-2818 (2017) Article DOI: 10.1021/acs.jmedchem.6b01468 BindingDB Entry DOI: 10.7270/Q2DB845Q
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM642137 (US11845730, Example 65) Show SMILES Fc1ccc(O[C@H]2C[C@@H](C2)NC(=O)Cc2cccc3cnccc23)cc1C(F)(F)F |r,wU:8.10,wD:6.5,(7.61,-.12,;6.28,.65,;4.94,-.12,;3.61,.65,;3.61,2.19,;2.28,2.96,;.94,2.19,;-.54,2.59,;-.94,1.1,;.54,.7,;-2.28,.33,;-3.61,1.1,;-3.61,2.64,;-4.94,.33,;-4.94,-1.21,;-3.61,-1.98,;-3.61,-3.52,;-4.94,-4.29,;-6.28,-3.52,;-7.61,-4.29,;-8.95,-3.52,;-8.95,-1.98,;-7.61,-1.21,;-6.28,-1.98,;4.94,2.96,;6.33,2.27,;7.66,3.06,;8.98,3.84,;6.87,4.38,;8.45,1.73,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.980	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269364 ((E)-3-(4-((2-(2- ethylphenyl)-6- hydroxybenzo[b] t...) Show SMILES CCc1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C25H20O4S/c1-2-17-5-3-4-6-20(17)25-24(21-13-10-18(26)15-22(21)30-25)29-19-11-7-16(8-12-19)9-14-23(27)28/h3-15,26H,2H2,1H3,(H,27,28)/b14-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Induction of selective estrogen receptor alpha degradation in human MCF7 cells after 18 to 24 hrs by in-cell Western analysis				J Med Chem 61: 2837-2864 (2018) Article DOI: 10.1021/acs.jmedchem.7b01682 BindingDB Entry DOI: 10.7270/Q2TB1986
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269399 (US10058534, 54) Show SMILES Cn1nnnc1\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(O)cc2)cc1 Show InChI InChI=1S/C24H18N4O3S/c1-28-22(25-26-27-28)13-4-15-2-10-19(11-3-15)31-23-20-12-9-18(30)14-21(20)32-24(23)16-5-7-17(29)8-6-16/h2-14,29-30H,1H3/b13-4+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	5.1	37
Novartis AG US Patent					Assay Description The ER transcription assay is a reporter assay that is based on the ability of ER to induce transcription from a luciferase reporter gene containing ...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269377 (US10058534, 31) Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(=O)NCCC(F)(F)F)cc1 Show InChI InChI=1S/C26H20F3NO4S/c27-26(28,29)13-14-30-23(33)12-3-16-1-9-20(10-2-16)34-24-21-11-8-19(32)15-22(21)35-25(24)17-4-6-18(31)7-5-17/h1-12,15,31-32H,13-14H2,(H,30,33)/b12-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269366 ((E)-3-(4-((2-(2-(tert- butyl)phenyl)-6- hydroxyben...) Show SMILES CC(C)(C)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C27H24O4S/c1-27(2,3)22-7-5-4-6-20(22)26-25(21-14-11-18(28)16-23(21)32-26)31-19-12-8-17(9-13-19)10-15-24(29)30/h4-16,28H,1-3H3,(H,29,30)/b15-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269364 ((E)-3-(4-((2-(2- ethylphenyl)-6- hydroxybenzo[b] t...) Show SMILES CCc1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C25H20O4S/c1-2-17-5-3-4-6-20(17)25-24(21-13-10-18(26)15-22(21)30-25)29-19-11-7-16(8-12-19)9-14-23(27)28/h3-15,26H,2H2,1H3,(H,27,28)/b14-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269363 ((E)-3-(4-((2-(4-fluoro- 2-(trifluoromethyl)- pheny...) Show SMILES OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(F)cc2C(F)(F)F)cc1 Show InChI InChI=1S/C24H14F4O4S/c25-14-4-8-17(19(11-14)24(26,27)28)23-22(18-9-5-15(29)12-20(18)33-23)32-16-6-1-13(2-7-16)3-10-21(30)31/h1-12,29H,(H,30,31)/b10-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269357 ((E)-3-(4-((2-(2,4- bis(trifluoromethyl) phenyl)-6-...) Show SMILES OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(cc2C(F)(F)F)C(F)(F)F)cc1 Show InChI InChI=1S/C25H14F6O4S/c26-24(27,28)14-4-8-17(19(11-14)25(29,30)31)23-22(18-9-5-15(32)12-20(18)36-23)35-16-6-1-13(2-7-16)3-10-21(33)34/h1-12,32H,(H,33,34)/b10-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269354 ((E)-3-(4-((6-hydroxy-2- (2-(trifluoromethyl)- phen...) Show SMILES OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccccc2C(F)(F)F)cc1 Show InChI InChI=1S/C24H15F3O4S/c25-24(26,27)19-4-2-1-3-17(19)23-22(18-11-8-15(28)13-20(18)32-23)31-16-9-5-14(6-10-16)7-12-21(29)30/h1-13,28H,(H,29,30)/b12-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269399 (US10058534, 54) Show SMILES Cn1nnnc1\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(O)cc2)cc1 Show InChI InChI=1S/C24H18N4O3S/c1-28-22(25-26-27-28)13-4-15-2-10-19(11-3-15)31-23-20-12-9-18(30)14-21(20)32-24(23)16-5-7-17(29)8-6-16/h2-14,29-30H,1H3/b13-4+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Induction of selective estrogen receptor alpha degradation in human MCF7 cells harboring TK-ERE-Luc assessed as reduction in estradiol-induced transc...				J Med Chem 61: 2837-2864 (2018) Article DOI: 10.1021/acs.jmedchem.7b01682 BindingDB Entry DOI: 10.7270/Q2TB1986
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50169743 ((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...) Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc1cc(O)ccc31 |r| Show InChI InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant Cyclin-dependent kinase 1-cyclin B				J Med Chem 60: 2790-2818 (2017) Article DOI: 10.1021/acs.jmedchem.6b01468 BindingDB Entry DOI: 10.7270/Q2DB845Q
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269354 ((E)-3-(4-((6-hydroxy-2- (2-(trifluoromethyl)- phen...) Show SMILES OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccccc2C(F)(F)F)cc1 Show InChI InChI=1S/C24H15F3O4S/c25-24(26,27)19-4-2-1-3-17(19)23-22(18-11-8-15(28)13-20(18)32-23)31-16-9-5-14(6-10-16)7-12-21(29)30/h1-13,28H,(H,29,30)/b12-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Induction of selective estrogen receptor alpha degradation in human MCF7 cells after 18 to 24 hrs by in-cell Western analysis				J Med Chem 61: 2837-2864 (2018) Article DOI: 10.1021/acs.jmedchem.7b01682 BindingDB Entry DOI: 10.7270/Q2TB1986
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269366 ((E)-3-(4-((2-(2-(tert- butyl)phenyl)-6- hydroxyben...) Show SMILES CC(C)(C)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C27H24O4S/c1-27(2,3)22-7-5-4-6-20(22)26-25(21-14-11-18(28)16-23(21)32-26)31-19-12-8-17(9-13-19)10-15-24(29)30/h4-16,28H,1-3H3,(H,29,30)/b15-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Induction of selective estrogen receptor alpha degradation in human MCF7 cells after 18 to 24 hrs by in-cell Western analysis				J Med Chem 61: 2837-2864 (2018) Article DOI: 10.1021/acs.jmedchem.7b01682 BindingDB Entry DOI: 10.7270/Q2TB1986
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269377 (US10058534, 31) Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(=O)NCCC(F)(F)F)cc1 Show InChI InChI=1S/C26H20F3NO4S/c27-26(28,29)13-14-30-23(33)12-3-16-1-9-20(10-2-16)34-24-21-11-8-19(32)15-22(21)35-25(24)17-4-6-18(31)7-5-17/h1-12,15,31-32H,13-14H2,(H,30,33)/b12-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Induction of selective estrogen receptor alpha degradation in human MCF7 cells after 18 to 24 hrs by in-cell Western analysis				J Med Chem 61: 2837-2864 (2018) Article DOI: 10.1021/acs.jmedchem.7b01682 BindingDB Entry DOI: 10.7270/Q2TB1986
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269363 ((E)-3-(4-((2-(4-fluoro- 2-(trifluoromethyl)- pheny...) Show SMILES OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(F)cc2C(F)(F)F)cc1 Show InChI InChI=1S/C24H14F4O4S/c25-14-4-8-17(19(11-14)24(26,27)28)23-22(18-9-5-15(29)12-20(18)33-23)32-16-6-1-13(2-7-16)3-10-21(30)31/h1-12,29H,(H,30,31)/b10-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Induction of selective estrogen receptor alpha degradation in human MCF7 cells after 18 to 24 hrs by in-cell Western analysis				J Med Chem 61: 2837-2864 (2018) Article DOI: 10.1021/acs.jmedchem.7b01682 BindingDB Entry DOI: 10.7270/Q2TB1986
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269450 ((E)-2-(2- isopropylphenyl)-3-(4- (2-(5-methyl-4H-1...) Show SMILES CC(C)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\c2nnc(C)[nH]2)cc1 Show InChI InChI=1S/C28H25N3O2S/c1-17(2)22-6-4-5-7-23(22)28-27(24-14-11-20(32)16-25(24)34-28)33-21-12-8-19(9-13-21)10-15-26-29-18(3)30-31-26/h4-17,32H,1-3H3,(H,29,30,31)/b15-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair

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