Compile Data Set for Download or QSAR

Found 2375 hits with Last Name = 'filoche' and Initial = 'b'   

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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50059435 (CHEMBL3393498) Show SMILES CCOC(=O)c1[nH]cc2[C@@H](C3=C(CCCC3=O)Nc12)c1cccc(Oc2nc3ccccc3[nH]2)c1 |r,t:10| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 in liver microsomes by mechanism based inhibition assay				J Med Chem 58: 362-75 (2015) Article DOI: 10.1021/jm501326k BindingDB Entry DOI: 10.7270/Q2T1559D
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM21363 (12-chloro-9-(2-fluorophenyl)-3-methyl-2,4,8-triaza...) Show SMILES Cc1ncc2CN=C(c3ccccc3F)c3cc(Cl)ccc3-n12 |t:6| Show InChI InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	2.47E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 in liver microsomes by mechanism based inhibition assay				J Med Chem 58: 362-75 (2015) Article DOI: 10.1021/jm501326k BindingDB Entry DOI: 10.7270/Q2T1559D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor [298-554] (Homo sapiens (Human))	BDBM521421 (6-(2,4- dichlorophenyl)- 1-fluoro-5-[6- [(3S)-1-(3...) Show SMILES Oc1ccc2c(CCCC(c3ccc(Cl)cc3Cl)=C2c2ccc(O[C@H]3CCN(CCCF)C3)nc2)c1F |r,c:18| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonistic potency of compounds was evaluated using LanthaScreen® TR-FRET ERα Coactivator Assay (ThermoFisher) with modifications. It is a com...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NZ8BT3
					More data for this Ligand-Target Pair
Estrogen receptor [298-554] (Homo sapiens (Human))	BDBM521262 (6-(6-ethoxy-2- fluoro-3- pyridyl)-5-[4- [[(3S)-1-(...) Show SMILES CCOc1ccc(c(F)n1)C1=C(c2ccc(N[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:11| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonistic potency of compounds was evaluated using LanthaScreen® TR-FRET ERα Coactivator Assay (ThermoFisher) with modifications. It is a com...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NZ8BT3
					More data for this Ligand-Target Pair
Estrogen receptor [298-554] (Homo sapiens (Human))	BDBM521255 (3-(6-ethoxy-2- fluoro-3- pyridyl)-4-[6- [(3S)-1-(3...) Show SMILES CCOc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)nc3)c3ccc(O)cc3SC2)c(F)n1 |r,c:7| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonistic potency of compounds was evaluated using LanthaScreen® TR-FRET ERα Coactivator Assay (ThermoFisher) with modifications. It is a com...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NZ8BT3
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50059435 (CHEMBL3393498) Show SMILES CCOC(=O)c1[nH]cc2[C@@H](C3=C(CCCC3=O)Nc12)c1cccc(Oc2nc3ccccc3[nH]2)c1 |r,t:10| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...				J Med Chem 58: 362-75 (2015) Article DOI: 10.1021/jm501326k BindingDB Entry DOI: 10.7270/Q2T1559D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor [298-554] (Homo sapiens (Human))	BDBM521384 (4-(6-ethoxy-2- fluoro-3- pyridyl)-5-[6- [(3S)-1-(3...) Show SMILES CCOc1ccc(c(F)n1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)nc2)c2ccc(O)cc2SCC1 |r,c:11| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonistic potency of compounds was evaluated using LanthaScreen® TR-FRET ERα Coactivator Assay (ThermoFisher) with modifications. It is a com...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NZ8BT3
					More data for this Ligand-Target Pair
Estrogen receptor [298-554] (Homo sapiens (Human))	BDBM521413 (6-(2-fluoro-4- methyl-phenyl)- 5-[6-[(3S)-1-(3- fl...) Show SMILES Cc1ccc(c(F)c1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)nc2)c2ccc(O)cc2CCC1 |r,c:9| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonistic potency of compounds was evaluated using LanthaScreen® TR-FRET ERα Coactivator Assay (ThermoFisher) with modifications. It is a com...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NZ8BT3
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50004205 (MK-045 | MK-0457 | TOZASERTIB | US9249124, VX680 |...) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of aurora A (unknown origin)				J Med Chem 58: 362-75 (2015) Article DOI: 10.1021/jm501326k BindingDB Entry DOI: 10.7270/Q2T1559D
					More data for this Ligand-Target Pair
Estrogen receptor [298-554] (Homo sapiens (Human))	BDBM521428 (6-(6-ethoxy-2- fluoro-3- pyridyl)-1- fluoro-5-[6- ...) Show SMILES CCOc1ccc(c(F)n1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)nc2)c2ccc(O)c(F)c2CCC1 |r,c:11| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonistic potency of compounds was evaluated using LanthaScreen® TR-FRET ERα Coactivator Assay (ThermoFisher) with modifications. It is a com...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NZ8BT3
					More data for this Ligand-Target Pair
Estrogen receptor [298-554] (Homo sapiens (Human))	BDBM521382 (4-(2-chloro-4- methyl-phenyl)- 5-[6-[(3S)-1-(3- fl...) Show SMILES Cc1ccc(c(Cl)c1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)nc2)c2ccc(O)cc2SCC1 |r,c:9| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonistic potency of compounds was evaluated using LanthaScreen® TR-FRET ERα Coactivator Assay (ThermoFisher) with modifications. It is a com...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NZ8BT3
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM263706 (6-(2- chloro-4- ethoxy- phenyl)-5- [4-[(3S)-1- (3-...) Show SMILES CCOc1ccc(c(Cl)c1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:11| Show InChI InChI=1S/C32H35ClFNO3/c1-2-37-26-12-14-29(31(33)20-26)30-6-3-5-23-19-24(36)9-13-28(23)32(30)22-7-10-25(11-8-22)38-27-15-18-35(21-27)17-4-16-34/h7-14,19-20,27,36H,2-6,15-18,21H2,1H3/t27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.4	25
SANOFI US Patent					Assay Description It is a competition assay, where binding of a test compound to a complex comprised of (i) His6-ERα298-554 protein representing ERα ligand-b...				US Patent US9714221 (2017) BindingDB Entry DOI: 10.7270/Q2N58PB1
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50447089 (CHEMBL3112849) Show SMILES Clc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C18H19ClN4O3/c19-13-2-1-3-14-12(13)4-5-23(14)18(25)10-15-20-16(11-17(24)21-15)22-6-8-26-9-7-22/h1-3,11H,4-10H2,(H,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT...				J Med Chem 57: 903-20 (2014) Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ
					More data for this Ligand-Target Pair
Estrogen receptor [298-554] (Homo sapiens (Human))	BDBM521261 (6-(2,4- dichlorophenyl)- 5-[4-[[(3S)-1- (3- fluoro...) Show SMILES Oc1ccc2c(CCCC(c3ccc(Cl)cc3Cl)=C2c2ccc(N[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:18| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonistic potency of compounds was evaluated using LanthaScreen® TR-FRET ERα Coactivator Assay (ThermoFisher) with modifications. It is a com...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NZ8BT3
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50059435 (CHEMBL3393498) Show SMILES CCOC(=O)c1[nH]cc2[C@@H](C3=C(CCCC3=O)Nc12)c1cccc(Oc2nc3ccccc3[nH]2)c1 |r,t:10| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...				J Med Chem 58: 362-75 (2015) Article DOI: 10.1021/jm501326k BindingDB Entry DOI: 10.7270/Q2T1559D
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM263860 (5-[4-[(3S)- 1-(3- fluoropropyl)- pyrrolidin-3- yl]...) Show SMILES Cn1cnc2cc(ccc12)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:12| Show InChI InChI=1S/C32H34FN3O2/c1-35-21-34-30-19-24(8-13-31(30)35)28-5-2-4-23-18-25(37)9-12-29(23)32(28)22-6-10-26(11-7-22)38-27-14-17-36(20-27)16-3-15-33/h6-13,18-19,21,27,37H,2-5,14-17,20H2,1H3/t27-/m0/s1	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
SANOFI US Patent					Assay Description It is a competition assay, where binding of a test compound to a complex comprised of (i) His6-ERα298-554 protein representing ERα ligand-b...				US Patent US9714221 (2017) BindingDB Entry DOI: 10.7270/Q2N58PB1
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM263892 (5-[4-[(3S)- 1-(3- fluoropropyl)- pyrrolidin-3- yl]...) Show SMILES Oc1ccc2c(CCCC(c3ccc(cc3)N3CCCC3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:22| Show InChI InChI=1S/C34H39FN2O2/c35-18-4-19-36-22-17-31(24-36)39-30-14-9-26(10-15-30)34-32(6-3-5-27-23-29(38)13-16-33(27)34)25-7-11-28(12-8-25)37-20-1-2-21-37/h7-16,23,31,38H,1-6,17-22,24H2/t31-/m0/s1	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
SANOFI US Patent					Assay Description It is a competition assay, where binding of a test compound to a complex comprised of (i) His6-ERα298-554 protein representing ERα ligand-b...				US Patent US9714221 (2017) BindingDB Entry DOI: 10.7270/Q2N58PB1
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM263893 (5-[4-[(3S)- 1-(3- fluoropropyl)- pyrrolidin-3- yl]...) Show SMILES Cc1nc2cc(ccc2o1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:12| Show InChI InChI=1S/C32H33FN2O3/c1-21-34-30-19-24(8-13-31(30)37-21)28-5-2-4-23-18-25(36)9-12-29(23)32(28)22-6-10-26(11-7-22)38-27-14-17-35(20-27)16-3-15-33/h6-13,18-19,27,36H,2-5,14-17,20H2,1H3/t27-/m0/s1	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
SANOFI US Patent					Assay Description It is a competition assay, where binding of a test compound to a complex comprised of (i) His6-ERα298-554 protein representing ERα ligand-b...				US Patent US9714221 (2017) BindingDB Entry DOI: 10.7270/Q2N58PB1
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM263900 (6-[2,3- difluoro-4- (1-piperidyl)- phenyl]-5- [4-[...) Show SMILES Oc1ccc2c(CCCC(c3ccc(N4CCCCC4)c(F)c3F)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:25| Show InChI InChI=1S/C35H39F3N2O2/c36-17-5-18-39-21-16-28(23-39)42-27-11-8-24(9-12-27)33-29-13-10-26(41)22-25(29)6-4-7-30(33)31-14-15-32(35(38)34(31)37)40-19-2-1-3-20-40/h8-15,22,28,41H,1-7,16-21,23H2/t28-/m0/s1	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
SANOFI US Patent					Assay Description It is a competition assay, where binding of a test compound to a complex comprised of (i) His6-ERα298-554 protein representing ERα ligand-b...				US Patent US9714221 (2017) BindingDB Entry DOI: 10.7270/Q2N58PB1
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM263911 (US9714221, Example 207) Show SMILES Oc1ccc2c(CCCC(C3=CCC(F)(F)CC3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:18,t:10| Show InChI InChI=1S/C30H34F3NO2/c31-16-2-17-34-18-13-26(20-34)36-25-8-5-22(6-9-25)29-27(21-11-14-30(32,33)15-12-21)4-1-3-23-19-24(35)7-10-28(23)29/h5-11,19,26,35H,1-4,12-18,20H2/t26-/m0/s1	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
SANOFI US Patent					Assay Description It is a competition assay, where binding of a test compound to a complex comprised of (i) His6-ERα298-554 protein representing ERα ligand-b...				US Patent US9714221 (2017) BindingDB Entry DOI: 10.7270/Q2N58PB1
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50447088 (CHEMBL3112850) Show SMILES Brc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C18H19BrN4O3/c19-13-2-1-3-14-12(13)4-5-23(14)18(25)10-15-20-16(11-17(24)21-15)22-6-8-26-9-7-22/h1-3,11H,4-10H2,(H,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT...				J Med Chem 57: 903-20 (2014) Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM263748 (US9714221, Example 82) Show SMILES CCOc1ccc(c(F)n1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)c(F)c2CCC1 |r,c:11| Show InChI InChI=1S/C31H33F3N2O3/c1-2-38-28-14-12-26(31(34)35-28)23-5-3-6-25-24(11-13-27(37)30(25)33)29(23)20-7-9-21(10-8-20)39-22-15-18-36(19-22)17-4-16-32/h7-14,22,37H,2-6,15-19H2,1H3/t22-/m0/s1	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
SANOFI US Patent					Assay Description It is a competition assay, where binding of a test compound to a complex comprised of (i) His6-ERα298-554 protein representing ERα ligand-b...				US Patent US9714221 (2017) BindingDB Entry DOI: 10.7270/Q2N58PB1
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM263707 (5-[4-[(3S)- 1-(3- fluoropropyl)- pyrrolidin-3- yl]...) Show SMILES COc1ccc(c(C)c1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:10| Show InChI InChI=1S/C32H36FNO3/c1-22-19-27(36-2)12-14-29(22)31-6-3-5-24-20-25(35)9-13-30(24)32(31)23-7-10-26(11-8-23)37-28-15-18-34(21-28)17-4-16-33/h7-14,19-20,28,35H,3-6,15-18,21H2,1-2H3/t28-/m0/s1	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
SANOFI US Patent					Assay Description It is a competition assay, where binding of a test compound to a complex comprised of (i) His6-ERα298-554 protein representing ERα ligand-b...				US Patent US9714221 (2017) BindingDB Entry DOI: 10.7270/Q2N58PB1
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM263709 (6-(4- ethoxy-2- methyl- phenyl)-1- fluoro-5-[4- [(...) Show SMILES CCOc1ccc(c(C)c1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)c(F)c2CCC1 |r,c:11| Show InChI InChI=1S/C33H37F2NO3/c1-3-38-25-12-13-27(22(2)20-25)28-6-4-7-30-29(14-15-31(37)33(30)35)32(28)23-8-10-24(11-9-23)39-26-16-19-36(21-26)18-5-17-34/h8-15,20,26,37H,3-7,16-19,21H2,1-2H3/t26-/m0/s1	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
SANOFI US Patent					Assay Description It is a competition assay, where binding of a test compound to a complex comprised of (i) His6-ERα298-554 protein representing ERα ligand-b...				US Patent US9714221 (2017) BindingDB Entry DOI: 10.7270/Q2N58PB1
					More data for this Ligand-Target Pair
Estrogen receptor [298-554] (Homo sapiens (Human))	BDBM521334 (5-[4-[(3S)-1-(3- fluoropropyl)pyr- rolidin-3- yl]o...) Show SMILES Oc1cccc(c1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2SCC1 |r,c:8| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonistic potency of compounds was evaluated using LanthaScreen® TR-FRET ERα Coactivator Assay (ThermoFisher) with modifications. It is a com...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NZ8BT3
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM263755 (6-(2- chloro-4- methoxy- phenyl)-5- [4-[(3S)-1- (3...) Show SMILES COc1ccc(c(Cl)c1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:10| Show InChI InChI=1S/C31H33ClFNO3/c1-36-25-11-13-28(30(32)19-25)29-5-2-4-22-18-23(35)8-12-27(22)31(29)21-6-9-24(10-7-21)37-26-14-17-34(20-26)16-3-15-33/h6-13,18-19,26,35H,2-5,14-17,20H2,1H3/t26-/m0/s1	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
SANOFI US Patent					Assay Description It is a competition assay, where binding of a test compound to a complex comprised of (i) His6-ERα298-554 protein representing ERα ligand-b...				US Patent US9714221 (2017) BindingDB Entry DOI: 10.7270/Q2N58PB1
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM263764 (6-(2,2- dimethyl- 3H- benzo- furan-5-yl)-5- [4-[(3...) Show SMILES CC1(C)Cc2cc(ccc2O1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:13| Show InChI InChI=1S/C34H38FNO3/c1-34(2)21-26-19-25(9-14-32(26)39-34)30-6-3-5-24-20-27(37)10-13-31(24)33(30)23-7-11-28(12-8-23)38-29-15-18-36(22-29)17-4-16-35/h7-14,19-20,29,37H,3-6,15-18,21-22H2,1-2H3/t29-/m0/s1	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
SANOFI US Patent					Assay Description It is a competition assay, where binding of a test compound to a complex comprised of (i) His6-ERα298-554 protein representing ERα ligand-b...				US Patent US9714221 (2017) BindingDB Entry DOI: 10.7270/Q2N58PB1
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM263774 (US9714221, Example 108) Show SMILES COc1ccc(cn1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:9| Show InChI InChI=1S/C30H33FN2O3/c1-35-29-13-8-23(19-32-29)27-5-2-4-22-18-24(34)9-12-28(22)30(27)21-6-10-25(11-7-21)36-26-14-17-33(20-26)16-3-15-31/h6-13,18-19,26,34H,2-5,14-17,20H2,1H3/t26-/m0/s1	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
SANOFI US Patent					Assay Description It is a competition assay, where binding of a test compound to a complex comprised of (i) His6-ERα298-554 protein representing ERα ligand-b...				US Patent US9714221 (2017) BindingDB Entry DOI: 10.7270/Q2N58PB1
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM263775 (US9714221, Example 109) Show SMILES COc1cc(ccn1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:9| Show InChI InChI=1S/C30H33FN2O3/c1-35-29-19-23(12-15-32-29)27-5-2-4-22-18-24(34)8-11-28(22)30(27)21-6-9-25(10-7-21)36-26-13-17-33(20-26)16-3-14-31/h6-12,15,18-19,26,34H,2-5,13-14,16-17,20H2,1H3/t26-/m0/s1	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
SANOFI US Patent					Assay Description It is a competition assay, where binding of a test compound to a complex comprised of (i) His6-ERα298-554 protein representing ERα ligand-b...				US Patent US9714221 (2017) BindingDB Entry DOI: 10.7270/Q2N58PB1
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM263712 (6-(2,3- dihydro- 1,4- benzodioxin-6-yl)-5- [4-[(3S...) Show SMILES Oc1ccc2c(CCCC(c3ccc4OCCOc4c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:21| Show InChI InChI=1S/C32H34FNO4/c33-14-2-15-34-16-13-27(21-34)38-26-9-5-22(6-10-26)32-28(4-1-3-23-19-25(35)8-11-29(23)32)24-7-12-30-31(20-24)37-18-17-36-30/h5-12,19-20,27,35H,1-4,13-18,21H2/t27-/m0/s1	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
SANOFI US Patent					Assay Description It is a competition assay, where binding of a test compound to a complex comprised of (i) His6-ERα298-554 protein representing ERα ligand-b...				US Patent US9714221 (2017) BindingDB Entry DOI: 10.7270/Q2N58PB1
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM263719 (6-(1,3- benzoxazol- 5-yl)-5-[4- [(3S)-1-(3- fluoro...) Show SMILES Oc1ccc2c(CCCC(c3ccc4ocnc4c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:20| Show InChI InChI=1S/C31H31FN2O3/c32-14-2-15-34-16-13-26(19-34)37-25-9-5-21(6-10-25)31-27(23-7-12-30-29(18-23)33-20-36-30)4-1-3-22-17-24(35)8-11-28(22)31/h5-12,17-18,20,26,35H,1-4,13-16,19H2/t26-/m0/s1	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
SANOFI US Patent					Assay Description It is a competition assay, where binding of a test compound to a complex comprised of (i) His6-ERα298-554 protein representing ERα ligand-b...				US Patent US9714221 (2017) BindingDB Entry DOI: 10.7270/Q2N58PB1
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM263737 (6-(6- ethoxy-2- fluoro-3- pyridyl)-5- [4-[(3S)- 1-...) Show SMILES CCOc1ccc(c(F)n1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:11| Show InChI InChI=1S/C31H34F2N2O3/c1-2-37-29-14-13-28(31(33)34-29)27-6-3-5-22-19-23(36)9-12-26(22)30(27)21-7-10-24(11-8-21)38-25-15-18-35(20-25)17-4-16-32/h7-14,19,25,36H,2-6,15-18,20H2,1H3/t25-/m0/s1	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
SANOFI US Patent					Assay Description It is a competition assay, where binding of a test compound to a complex comprised of (i) His6-ERα298-554 protein representing ERα ligand-b...				US Patent US9714221 (2017) BindingDB Entry DOI: 10.7270/Q2N58PB1
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM263743 (5-[4-[(3S)- 1-(3- fluoropropyl)- pyrrolidin-3- yl]...) Show SMILES COc1cccc(c1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:9| Show InChI InChI=1S/C31H34FNO3/c1-35-27-7-2-5-24(20-27)29-8-3-6-23-19-25(34)11-14-30(23)31(29)22-9-12-26(13-10-22)36-28-15-18-33(21-28)17-4-16-32/h2,5,7,9-14,19-20,28,34H,3-4,6,8,15-18,21H2,1H3/t28-/m0/s1	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
SANOFI US Patent					Assay Description It is a competition assay, where binding of a test compound to a complex comprised of (i) His6-ERα298-554 protein representing ERα ligand-b...				US Patent US9714221 (2017) BindingDB Entry DOI: 10.7270/Q2N58PB1
					More data for this Ligand-Target Pair
Estrogen receptor [298-554] (Homo sapiens (Human))	BDBM521360 (4-(benzofuran- 5-yl)-5-[4-[(3S)- 1-(3- fluoropropy...) Show SMILES Oc1ccc2c(SCCC(c3ccc4occc4c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:20| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonistic potency of compounds was evaluated using LanthaScreen® TR-FRET ERα Coactivator Assay (ThermoFisher) with modifications. It is a com...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NZ8BT3
					More data for this Ligand-Target Pair
Estrogen receptor [298-554] (Homo sapiens (Human))	BDBM521362 (4-(4-ethoxy-2- methyl-phenyl)- 5-[4-[(3S)-1-(3- fl...) Show SMILES CCOc1ccc(c(C)c1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2SCC1 |r,c:11| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonistic potency of compounds was evaluated using LanthaScreen® TR-FRET ERα Coactivator Assay (ThermoFisher) with modifications. It is a com...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NZ8BT3
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM263847 (6-(2,2-dimethylindolin-5-yl)-5-[4-[(3S)-1-(3-fluor...) Show SMILES CC1(C)Cc2cc(ccc2N1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(cc2CCC1)C(O)=O |r,c:13| Show InChI InChI=1S/C35H39FN2O3/c1-35(2)21-27-20-25(10-14-32(27)37-35)30-6-3-5-24-19-26(34(39)40)9-13-31(24)33(30)23-7-11-28(12-8-23)41-29-15-18-38(22-29)17-4-16-36/h7-14,19-20,29,37H,3-6,15-18,21-22H2,1-2H3,(H,39,40)/t29-/m0/s1	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
SANOFI US Patent					Assay Description It is a competition assay, where binding of a test compound to a complex comprised of (i) His6-ERα298-554 protein representing ERα ligand-b...				US Patent US9714221 (2017) BindingDB Entry DOI: 10.7270/Q2N58PB1
					More data for this Ligand-Target Pair
Estrogen receptor [298-554] (Homo sapiens (Human))	BDBM521221 (3-(2-fluoro-6- methoxy-3- pyridyl)-4-[4- [(3S)-1-(...) Show SMILES COc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3SC2)c(F)n1 |r,c:6| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonistic potency of compounds was evaluated using LanthaScreen® TR-FRET ERα Coactivator Assay (ThermoFisher) with modifications. It is a com...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NZ8BT3
					More data for this Ligand-Target Pair
Estrogen receptor [298-554] (Homo sapiens (Human))	BDBM521394 (4-[4- (fluoromethoxy) phenyl]-5-[4- [(3S)-1-(3- fl...) Show SMILES Oc1ccc2c(SCCC(c3ccc(OCF)cc3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:19| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonistic potency of compounds was evaluated using LanthaScreen® TR-FRET ERα Coactivator Assay (ThermoFisher) with modifications. It is a com...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NZ8BT3
					More data for this Ligand-Target Pair
Estrogen receptor [298-554] (Homo sapiens (Human))	BDBM521417 (6-[4- (difluoromethoxy)- 3-fluoro- phenyl]-5-[6- [...) Show SMILES Oc1ccc2c(CCCC(c3ccc(OC(F)F)c(F)c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)nc2)c1 |r,c:21| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonistic potency of compounds was evaluated using LanthaScreen® TR-FRET ERα Coactivator Assay (ThermoFisher) with modifications. It is a com...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NZ8BT3
					More data for this Ligand-Target Pair
Estrogen receptor [298-554] (Homo sapiens (Human))	BDBM521418 (6-(2,2- dimethylindolin- 5-yl)-5-[6-[(3S)- 1-(3- f...) Show SMILES CC1(C)Cc2cc(ccc2N1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)nc2)c2ccc(O)cc2CCC1 |r,c:13| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonistic potency of compounds was evaluated using LanthaScreen® TR-FRET ERα Coactivator Assay (ThermoFisher) with modifications. It is a com...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NZ8BT3
					More data for this Ligand-Target Pair
Estrogen receptor [298-554] (Homo sapiens (Human))	BDBM521425 (6-[4- (difluoromethoxy)- 3-fluoro- phenyl]-1- fluo...) Show SMILES Oc1ccc2c(CCCC(c3ccc(OC(F)F)c(F)c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)nc2)c1F |r,c:21| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonistic potency of compounds was evaluated using LanthaScreen® TR-FRET ERα Coactivator Assay (ThermoFisher) with modifications. It is a com...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NZ8BT3
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50277545 (4-(9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[...) Show SMILES COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C(O)=O |c:11| Show InChI InChI=1S/C27H20ClFN4O4/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of aurora A (unknown origin)				J Med Chem 58: 362-75 (2015) Article DOI: 10.1021/jm501326k BindingDB Entry DOI: 10.7270/Q2T1559D
					More data for this Ligand-Target Pair				3D Structure (docked)
Estrogen receptor [298-554] (Homo sapiens (Human))	BDBM521369 (4-(2,2-difluoro- 1,3- benzodioxol-5- yl)-5-[4-[(3S...) Show SMILES Oc1ccc2c(SCCC(c3ccc4OC(F)(F)Oc4c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:22| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonistic potency of compounds was evaluated using LanthaScreen® TR-FRET ERα Coactivator Assay (ThermoFisher) with modifications. It is a com...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NZ8BT3
					More data for this Ligand-Target Pair
Estrogen receptor [298-554] (Homo sapiens (Human))	BDBM521373 (5-[4-[(3S)-1-(3- fluoropropyl)pyr- rolidin-3- yl]o...) Show SMILES CC1Cc2cc(ccc2O1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2SCC1 |r,c:12| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonistic potency of compounds was evaluated using LanthaScreen® TR-FRET ERα Coactivator Assay (ThermoFisher) with modifications. It is a com...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NZ8BT3
					More data for this Ligand-Target Pair
Estrogen receptor [298-554] (Homo sapiens (Human))	BDBM521374 (4-(2,2- dimethylindolin- 5-yl)-5-[4-[(3S)- 1-(3- f...) Show SMILES CC1(C)Cc2cc(ccc2S1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2SCC1 |r,c:13| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonistic potency of compounds was evaluated using LanthaScreen® TR-FRET ERα Coactivator Assay (ThermoFisher) with modifications. It is a com...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NZ8BT3
					More data for this Ligand-Target Pair
Estrogen receptor [298-554] (Homo sapiens (Human))	BDBM521377 (4-(2,2-dimethyl- 3H-benzofuran- 5-yl)-5-[4-[(3S)- ...) Show SMILES CC1(C)Cc2cc(ccc2O1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2SCC1 |r,c:13| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonistic potency of compounds was evaluated using LanthaScreen® TR-FRET ERα Coactivator Assay (ThermoFisher) with modifications. It is a com...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NZ8BT3
					More data for this Ligand-Target Pair
Estrogen receptor [298-554] (Homo sapiens (Human))	BDBM521378 (5-[4-[(3S)-1-(3- fluoropropyl)pyr- rolidin-3- yl]o...) Show SMILES C[C@@H]1Cc2cc(ccc2O1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2SCC1 |r,c:12| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonistic potency of compounds was evaluated using LanthaScreen® TR-FRET ERα Coactivator Assay (ThermoFisher) with modifications. It is a com...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NZ8BT3
					More data for this Ligand-Target Pair
Estrogen receptor [298-554] (Homo sapiens (Human))	BDBM521381 (4-(2,4- dichlorophenyl)- 5-[(6-[(3S)-1-(3- fluorop...) Show SMILES Oc1ccc2c(SCCC(c3ccc(Cl)cc3Cl)=C2c2ccc(O[C@H]3CCN(CCCF)C3)nc2)c1 |r,c:18| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonistic potency of compounds was evaluated using LanthaScreen® TR-FRET ERα Coactivator Assay (ThermoFisher) with modifications. It is a com...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NZ8BT3
					More data for this Ligand-Target Pair
Estrogen receptor [298-554] (Homo sapiens (Human))	BDBM521254 (3-(2-fluoro-4- methyl-phenyl)- 4-[6-[(3S)-1-(3- fl...) Show SMILES Cc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)nc3)c3ccc(O)cc3SC2)c(F)c1 |r,c:5| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonistic potency of compounds was evaluated using LanthaScreen® TR-FRET ERα Coactivator Assay (ThermoFisher) with modifications. It is a com...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NZ8BT3
					More data for this Ligand-Target Pair
Estrogen receptor [298-554] (Homo sapiens (Human))	BDBM521363 (4-(6-ethoxy-2- fluoro-3- pyridyl)-5-[4- [(3S)-1-(3...) Show SMILES CCOc1ccc(c(F)n1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2SCC1 |r,c:11| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonistic potency of compounds was evaluated using LanthaScreen® TR-FRET ERα Coactivator Assay (ThermoFisher) with modifications. It is a com...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NZ8BT3
					More data for this Ligand-Target Pair

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