Compile Data Set for Download or QSAR

Found 2687 hits with Last Name = 'halley' and Initial = 'f'   

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
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50134434 (CHEMBL3746046) Show SMILES Cc1c(nn2c(Nc3cc(Cl)cc(Cl)c3)c3C(=O)NCCc3nc12)S(C)(=O)=O Show InChI InChI=1S/C17H15Cl2N5O3S/c1-8-14-22-12-3-4-20-16(25)13(12)15(24(14)23-17(8)28(2,26)27)21-11-6-9(18)5-10(19)7-11/h5-7,21H,3-4H2,1-2H3,(H,20,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4B1 expressed in insect Sf9 cells by fluorescence capillary-electrophoresis assay				Bioorg Med Chem Lett 26: 454-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.093 BindingDB Entry DOI: 10.7270/Q2X92D4M
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50134433 (CHEMBL3745968) Show SMILES COc1cccc(Nc2c3C(=O)NCCc3nc3c(C)c(nn23)S(C)(=O)=O)c1 Show InChI InChI=1S/C18H19N5O4S/c1-10-15-21-13-7-8-19-17(24)14(13)16(23(15)22-18(10)28(3,25)26)20-11-5-4-6-12(9-11)27-2/h4-6,9,20H,7-8H2,1-3H3,(H,19,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4B1 expressed in insect Sf9 cells by fluorescence capillary-electrophoresis assay				Bioorg Med Chem Lett 26: 454-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.093 BindingDB Entry DOI: 10.7270/Q2X92D4M
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50134432 (CHEMBL3747036) Show SMILES CSc1nn2c(Nc3cc(Cl)cc(Cl)c3)c3C(=O)NCCc3nc2c1C Show InChI InChI=1S/C17H15Cl2N5OS/c1-8-14-22-12-3-4-20-16(25)13(12)15(24(14)23-17(8)26-2)21-11-6-9(18)5-10(19)7-11/h5-7,21H,3-4H2,1-2H3,(H,20,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4B1 expressed in insect Sf9 cells by fluorescence capillary-electrophoresis assay				Bioorg Med Chem Lett 26: 454-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.093 BindingDB Entry DOI: 10.7270/Q2X92D4M
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50134429 (CHEMBL3746964) Show SMILES CN(C)C(=O)c1cccc(c1)S(=O)(=O)c1nn2c(Nc3cc(Cl)cc(Cl)c3)c(cnc2c1C)C(N)=O Show InChI InChI=1S/C23H20Cl2N6O4S/c1-12-20-27-11-18(19(26)32)21(28-16-9-14(24)8-15(25)10-16)31(20)29-22(12)36(34,35)17-6-4-5-13(7-17)23(33)30(2)3/h4-11,28H,1-3H3,(H2,26,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4B1 expressed in insect Sf9 cells by fluorescence capillary-electrophoresis assay				Bioorg Med Chem Lett 26: 454-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.093 BindingDB Entry DOI: 10.7270/Q2X92D4M
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14 (Homo sapiens (Human))	BDBM50473625 (CHEMBL69319) Show SMILES CN(C)C(=O)[C@@]1(C)CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NCC2CC2)n1)-c1ccc(F)cc1 |wU:9.12,5.5,wD:5.4,(23.19,-11.78,;22.43,-10.44,;23.2,-9.1,;20.89,-10.44,;20.11,-11.77,;20.12,-9.1,;20.89,-7.77,;19.36,-7.77,;17.82,-7.77,;17.05,-9.1,;17.82,-10.44,;19.34,-10.44,;15.51,-9.1,;14.6,-10.34,;13.12,-9.87,;13.14,-8.31,;14.61,-7.84,;11.81,-7.54,;11.81,-5.99,;10.46,-5.22,;9.13,-5.99,;9.13,-7.54,;7.79,-8.31,;6.46,-7.54,;5.12,-8.31,;4.36,-9.64,;3.59,-8.31,;10.46,-8.31,;11.89,-10.76,;12.04,-12.28,;10.8,-13.2,;9.38,-12.56,;8.04,-13.33,;9.22,-11.02,;10.48,-10.12,)| Show InChI InChI=1S/C25H29FN6O3/c1-25(23(33)32(2)3)13-34-22(35-14-25)21-30-19(16-6-8-17(26)9-7-16)20(31-21)18-10-11-27-24(29-18)28-12-15-4-5-15/h6-11,15,22H,4-5,12-14H2,1-3H3,(H,30,31)(H,27,28,29)/t22-,25-	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia 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
Aventis Pharma S.A. Curated by ChEMBL					Assay Description Inhibition of p38-related TNF alpha release by human monocyte cell line (THP-1)				J Med Chem 45: 2173-84 (2002) Article DOI: 10.1021/jm011132l BindingDB Entry DOI: 10.7270/Q2WW7MFK
					More data for this Ligand-Target Pair
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))	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
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))	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
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 [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
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50134428 (CHEMBL3746007) Show SMILES COc1cccc(Nc2c(cnc3c(C)c(nn23)S(=O)(=O)c2cccc(c2)C(=O)N(C)C)C(N)=O)c1 Show InChI InChI=1S/C24H24N6O5S/c1-14-21-26-13-19(20(25)31)22(27-16-8-6-9-17(12-16)35-4)30(21)28-23(14)36(33,34)18-10-5-7-15(11-18)24(32)29(2)3/h5-13,27H,1-4H3,(H2,25,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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 Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4B1 expressed in insect Sf9 cells by fluorescence capillary-electrophoresis assay				Bioorg Med Chem Lett 26: 454-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.093 BindingDB Entry DOI: 10.7270/Q2X92D4M
					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
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
RAC-alpha serine/threonine-protein kinase (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Patent					Assay Description This test is based on measuring the expression of the AKT protein phosphorylated on serine 473 (P-AKT-S473), in the PC3 human prostate carcinoma line...				US Patent US8993565 (2015) BindingDB Entry DOI: 10.7270/Q2FQ9V9P
					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))	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
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))	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))	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 [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))	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))	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))	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 (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))	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
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM180381 (US9133168, Example 37c | US9133168, Example 38c) Show SMILES CC1Cc2c(ccc(F)c2Cl)N1C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
SANOFI US Patent					Assay Description This test is based on measurement of the expression of AKT protein phosphorylated on serine 473 (P-AKT-S473) in the PC3 human prostate carcinoma line...				US Patent US9133168 (2015) BindingDB Entry DOI: 10.7270/Q29W0D8X
					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))	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))	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))	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 (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))	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
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
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

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