BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1873 hits with Last Name = 'halley' and Initial = 'f'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Estrogen receptor


(Homo sapiens (Human))
BDBM263892
PNG
(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
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

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0n/an/an/an/a7.425



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)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50134434
PNG
(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

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.0300n/an/an/an/an/an/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
PNG
(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

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.100n/an/an/an/an/an/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
PNG
(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

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.200n/an/an/an/an/an/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
PNG
(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

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.200n/an/an/an/an/an/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))
BDBM50134428
PNG
(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

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.700n/an/an/an/an/an/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
PNG
(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
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

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.800n/an/an/an/a7.425



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)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM263847
PNG
(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
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

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/a7.425



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)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50447088
PNG
(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

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1n/an/an/an/an/an/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


(Homo sapiens (Human))
BDBM263748
PNG
(US9714221, Example 82)
Show SMILES CCOc1ccc(c(F)n1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)c(F)c2CCC1
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

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/a7.425



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)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM263755
PNG
(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
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

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/a7.425



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)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM263764
PNG
(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
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

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/a7.425



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)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM263774
PNG
(US9714221, Example 108)
Show SMILES COc1ccc(cn1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1
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

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/a7.425



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)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM263737
PNG
(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
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

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/a7.425



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)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM263743
PNG
(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
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

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/a7.425



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)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM180381
PNG
(US9133168, Example 37c | US9133168, Example 38c)
Show SMILES CC1Cc2c(ccc(F)c2Cl)N1C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1
Show InChI InChI=1S/C19H20ClFN4O3/c1-11-8-12-14(3-2-13(21)19(12)20)25(11)18(27)9-15-22-16(10-17(26)23-15)24-4-6-28-7-5-24/h2-3,10-11H,4-9H2,1H3,(H,22,23,26)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1n/an/an/an/an/an/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))
BDBM263707
PNG
(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
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

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/a7.425



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)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM263709
PNG
(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
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

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/a7.425



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)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM263712
PNG
(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
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

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/a7.425



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)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM263719
PNG
(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
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

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/a7.425



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)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM263911
PNG
(US9714221, Example 207)
Show SMILES Oc1ccc2c(CCCC(C3=CCC(F)(F)CC3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1
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

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/a7.425



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)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM263860
PNG
(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
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

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/a7.425



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)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM263893
PNG
(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
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

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/a7.425



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)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM263900
PNG
(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
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

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/a7.425



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)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50447088
PNG
(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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/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
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM180433
PNG
(US9133168, Example 9e)
Show SMILES CC1Cc2c(ccc(F)c2F)N1C(=S)Cc1nc(N2CCOCC2)c(F)c(=S)[nH]1
Show InChI InChI=1S/C19H19F3N4OS2/c1-10-8-11-13(3-2-12(20)16(11)21)26(10)15(28)9-14-23-18(17(22)19(29)24-14)25-4-6-27-7-5-25/h2-3,10H,4-9H2,1H3,(H,23,24,29)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1n/an/an/an/an/an/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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50447089
PNG
(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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/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
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM180347
PNG
(US9133168, Example 1c | US9133168, Example 2c | US...)
Show SMILES CC1Cc2c(cccc2Cl)N1C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1
Show InChI InChI=1S/C19H21ClN4O3/c1-12-9-13-14(20)3-2-4-15(13)24(12)19(26)10-16-21-17(11-18(25)22-16)23-5-7-27-8-6-23/h2-4,11-12H,5-10H2,1H3,(H,21,22,25)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1n/an/an/an/an/an/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
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM180362
PNG
(US9133168, Example 17c | US9133168, Example 18c)
Show SMILES CC1Cc2c(ccc(F)c2F)N1C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1
Show InChI InChI=1S/C19H20F2N4O3/c1-11-8-12-14(3-2-13(20)19(12)21)25(11)18(27)9-15-22-16(10-17(26)23-15)24-4-6-28-7-5-24/h2-3,10-11H,4-9H2,1H3,(H,22,23,26)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1n/an/an/an/an/an/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))
BDBM263775
PNG
(US9714221, Example 109)
Show SMILES COc1cc(ccn1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1
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

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/a7.425



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)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM263843
PNG
(6-(6- ethoxy-5- fluoro-3- pyridyl)-5- [4-[(3S)-1- ...)
Show SMILES CCOc1ncc(cc1F)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1
Show InChI InChI=1S/C31H34F2N2O3/c1-2-37-31-29(33)18-23(19-34-31)27-6-3-5-22-17-24(36)9-12-28(22)30(27)21-7-10-25(11-8-21)38-26-13-16-35(20-26)15-4-14-32/h7-12,17-19,26,36H,2-6,13-16,20H2,1H3/t26-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/a7.425



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)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM180409
PNG
(US9133168, Example 27d | US9133168, Example 28d)
Show SMILES Fc1ccc(cc1)C1Cc2ccccc2N1C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1
Show InChI InChI=1S/C24H23FN4O3/c25-18-7-5-16(6-8-18)20-13-17-3-1-2-4-19(17)29(20)24(31)14-21-26-22(15-23(30)27-21)28-9-11-32-12-10-28/h1-8,15,20H,9-14H2,(H,26,27,30)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2n/an/an/an/an/an/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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50447078
PNG
(CHEMBL3112860 | US9133168, Example 18d)
Show SMILES CN1CCN(Cc2cccc3N(CCc23)C(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)CC1
Show InChI InChI=1S/C24H32N6O3/c1-27-7-9-28(10-8-27)17-18-3-2-4-20-19(18)5-6-30(20)24(32)15-21-25-22(16-23(31)26-21)29-11-13-33-14-12-29/h2-4,16H,5-15,17H2,1H3,(H,25,26,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of N-terminal ploy-His-tagged human PI3Kdelta expressed in baculovirus-infected sf9 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))
BDBM263782
PNG
(6-[4- (difluoro- methoxy)-2- fluoro- phenyl]-5- [4...)
Show SMILES Oc1ccc2c(CCCC(c3ccc(OC(F)F)cc3F)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1
Show InChI InChI=1S/C31H31F4NO3/c32-14-2-15-36-16-13-25(19-36)38-23-8-5-20(6-9-23)30-26-11-7-22(37)17-21(26)3-1-4-28(30)27-12-10-24(18-29(27)33)39-31(34)35/h5-12,17-18,25,31,37H,1-4,13-16,19H2/t25-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/a7.425



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)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM263788
PNG
(6-(2- chloro-3- fluoro- phenyl)-1- fluoro-5-[4- [(...)
Show SMILES Oc1ccc2c(CCCC(c3cccc(F)c3Cl)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1F
Show InChI InChI=1S/C30H29ClF3NO2/c31-29-24(5-2-7-26(29)33)22-4-1-6-25-23(12-13-27(36)30(25)34)28(22)19-8-10-20(11-9-19)37-21-14-17-35(18-21)16-3-15-32/h2,5,7-13,21,36H,1,3-4,6,14-18H2/t21-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/a7.425



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)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM263834
PNG
(5-[4-[(3S)- 1-(3- fluoropropyl)- pyrrolidin-3- yl]...)
Show SMILES Cc1oncc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1
Show InChI InChI=1S/C28H31FN2O3/c1-19-27(17-30-34-19)26-5-2-4-21-16-22(32)8-11-25(21)28(26)20-6-9-23(10-7-20)33-24-12-15-31(18-24)14-3-13-29/h6-11,16-17,24,32H,2-5,12-15,18H2,1H3/t24-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/a7.425



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)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM263757
PNG
(5-[4-[(3S)- 1-(3- fluoropropyl)- pyrrolidin-3- yl]...)
Show SMILES COc1cc(C)c(cn1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1
Show InChI InChI=1S/C31H35FN2O3/c1-21-17-30(36-2)33-19-29(21)28-6-3-5-23-18-24(35)9-12-27(23)31(28)22-7-10-25(11-8-22)37-26-13-16-34(20-26)15-4-14-32/h7-12,17-19,26,35H,3-6,13-16,20H2,1-2H3/t26-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/a7.425



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)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM263759
PNG
(6-(2,3- difluoro-4- methoxy- phenyl)-5- [4-[(3S)-1...)
Show SMILES COc1ccc(c(F)c1F)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1
Show InChI InChI=1S/C31H32F3NO3/c1-37-28-13-12-27(30(33)31(28)34)26-5-2-4-21-18-22(36)8-11-25(21)29(26)20-6-9-23(10-7-20)38-24-14-17-35(19-24)16-3-15-32/h6-13,18,24,36H,2-5,14-17,19H2,1H3/t24-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/a7.425



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)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM180418
PNG
(US9133168, Example 36d | US9133168, Example 37d)
Show SMILES CC1Cc2c(cccc2C(F)(F)F)N1C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1
Show InChI InChI=1S/C20H21F3N4O3/c1-12-9-13-14(20(21,22)23)3-2-4-15(13)27(12)19(29)10-16-24-17(11-18(28)25-16)26-5-7-30-8-6-26/h2-4,11-12H,5-10H2,1H3,(H,24,25,28)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2n/an/an/an/an/an/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))
BDBM263813
PNG
(6-[4- (difluoro- methoxy)-2- methyl- phenyl]-5- [4...)
Show SMILES Cc1cc(OC(F)F)ccc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1
Show InChI InChI=1S/C32H34F3NO3/c1-21-18-26(39-32(34)35)11-13-28(21)30-5-2-4-23-19-24(37)8-12-29(23)31(30)22-6-9-25(10-7-22)38-27-14-17-36(20-27)16-3-15-33/h6-13,18-19,27,32,37H,2-5,14-17,20H2,1H3/t27-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/a7.425



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)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM263770
PNG
(6-(2-fluoro- 6-methoxy- 3-pyridyl)- 5-[4-[(3S)- 1-...)
Show SMILES COc1ccc(c(F)n1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1
Show InChI InChI=1S/C30H32F2N2O3/c1-36-28-13-12-27(30(32)33-28)26-5-2-4-21-18-22(35)8-11-25(21)29(26)20-6-9-23(10-7-20)37-24-14-17-34(19-24)16-3-15-31/h6-13,18,24,35H,2-5,14-17,19H2,1H3/t24-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/a7.425



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)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM263724
PNG
(2-[5-[4- [(3S)-1-(3- fluoropropyl)- pyrrolidin-3- ...)
Show SMILES COc1ccc(c(c1)C#N)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1
Show InChI InChI=1S/C32H33FN2O3/c1-37-27-11-13-29(24(19-27)20-34)31-5-2-4-23-18-25(36)8-12-30(23)32(31)22-6-9-26(10-7-22)38-28-14-17-35(21-28)16-3-15-33/h6-13,18-19,28,36H,2-5,14-17,21H2,1H3/t28-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/a7.425



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)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM180358
PNG
(US9133168, Example 13c | US9133168, Example 14c)
Show SMILES CC1Cc2cc(F)ccc2N1C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1
Show InChI InChI=1S/C19H21FN4O3/c1-12-8-13-9-14(20)2-3-15(13)24(12)19(26)10-16-21-17(11-18(25)22-16)23-4-6-27-7-5-23/h2-3,9,11-12H,4-8,10H2,1H3,(H,21,22,25)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2n/an/an/an/an/an/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
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM180366
PNG
(US9133168, Example 21c | US9133168, Example 22c)
Show SMILES CC1Cc2cc(F)c(F)cc2N1C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1
Show InChI InChI=1S/C19H20F2N4O3/c1-11-6-12-7-13(20)14(21)8-15(12)25(11)19(27)9-16-22-17(10-18(26)23-16)24-2-4-28-5-3-24/h7-8,10-11H,2-6,9H2,1H3,(H,22,23,26)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2n/an/an/an/an/an/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))
BDBM263731
PNG
(5-[4-[(3S)-1-(3- fluoropropyl)- pyrrolidin-3- yl]o...)
Show SMILES COc1ccc(c(c1)C(F)(F)F)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1
Show InChI InChI=1S/C32H33F4NO3/c1-39-25-11-13-28(30(19-25)32(34,35)36)29-5-2-4-22-18-23(38)8-12-27(22)31(29)21-6-9-24(10-7-21)40-26-14-17-37(20-26)16-3-15-33/h6-13,18-19,26,38H,2-5,14-17,20H2,1H3/t26-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/a7.425



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)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM263736
PNG
(US9714221, Example 70)
Show SMILES CC(=O)N1c2ccc(cc2CC1(C)C)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1
Show InChI InChI=1S/C36H41FN2O3/c1-24(40)39-34-15-10-27(20-28(34)22-36(39,2)3)32-7-4-6-26-21-29(41)11-14-33(26)35(32)25-8-12-30(13-9-25)42-31-16-19-38(23-31)18-5-17-37/h8-15,20-21,31,41H,4-7,16-19,22-23H2,1-3H3/t31-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/a7.425



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)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM263740
PNG
(6-(3-ethoxy- phenyl)-5-[4- [(3S)-1-(3- fluoropropy...)
Show SMILES CCOc1cccc(c1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1
Show InChI InChI=1S/C32H36FNO3/c1-2-36-28-8-3-6-25(21-28)30-9-4-7-24-20-26(35)12-15-31(24)32(30)23-10-13-27(14-11-23)37-29-16-19-34(22-29)18-5-17-33/h3,6,8,10-15,20-21,29,35H,2,4-5,7,9,16-19,22H2,1H3/t29-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/a7.425



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)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM263742
PNG
(US9714221, Example 76)
Show SMILES COc1ccc(cc1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1
Show InChI InChI=1S/C31H34FNO3/c1-35-26-11-6-22(7-12-26)29-5-2-4-24-20-25(34)10-15-30(24)31(29)23-8-13-27(14-9-23)36-28-16-19-33(21-28)18-3-17-32/h6-15,20,28,34H,2-5,16-19,21H2,1H3/t28-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/a7.425



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)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM263697
PNG
(6-(6- ethoxy-3- pyridyl)-5- [4-[(3S)-1- (3- fluoro...)
Show SMILES CCOc1ccc(cn1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1
Show InChI InChI=1S/C31H35FN2O3/c1-2-36-30-14-9-24(20-33-30)28-6-3-5-23-19-25(35)10-13-29(23)31(28)22-7-11-26(12-8-22)37-27-15-18-34(21-27)17-4-16-32/h7-14,19-20,27,35H,2-6,15-18,21H2,1H3/t27-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/a7.425



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)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM263705
PNG
(6-(4- ethoxy-2- fluoro- phenyl)-5- [4-[(3S)-1- (3-...)
Show SMILES CCOc1ccc(c(F)c1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1
Show InChI InChI=1S/C32H35F2NO3/c1-2-37-26-12-14-29(31(34)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)17-4-16-33/h7-14,19-20,27,36H,2-6,15-18,21H2,1H3/t27-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/a7.425



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)

More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 1873 total )  |  Next  |  Last  >>
Jump to: