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BDBM263693 5-[4-[(3S)- 1-(3- fluoropropyl)- pyrrolidin-3- yl]oxy- phenyl]-6-(2- methyl-1H- indol-5-yl)- 8,9- dihydro- 7H- benzo[7]- annulen-2-ol::US9714221, Example 30

SMILES: Cc1cc2cc(ccc2[nH]1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1

InChI Key: InChIKey=VTZCIBCTZTZZFP-LJAQVGFWSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 263693   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Estrogen receptor


(Homo sapiens (Human))
BDBM263693
PNG
(5-[4-[(3S)- 1-(3- fluoropropyl)- pyrrolidin-3- yl]...)
Show SMILES Cc1cc2cc(ccc2[nH]1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1
Show InChI InChI=1S/C33H35FN2O2/c1-22-18-26-19-25(8-13-32(26)35-22)30-5-2-4-24-20-27(37)9-12-31(24)33(30)23-6-10-28(11-7-23)38-29-14-17-36(21-29)16-3-15-34/h6-13,18-20,29,35,37H,2-5,14-17,21H2,1H3/t29-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/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 alpha Y537S


(Homo sapiens (human))
BDBM263693
PNG
(5-[4-[(3S)- 1-(3- fluoropropyl)- pyrrolidin-3- yl]...)
Show SMILES Cc1cc2cc(ccc2[nH]1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1
Show InChI InChI=1S/C33H35FN2O2/c1-22-18-26-19-25(8-13-32(26)35-22)30-5-2-4-24-20-27(37)9-12-31(24)33(30)23-6-10-28(11-7-23)38-29-14-17-36(21-29)16-3-15-34/h6-13,18-20,29,35,37H,2-5,14-17,21H2,1H3/t29-/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 9n/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 alpha D538G


(Homo sapiens (human))
BDBM263693
PNG
(5-[4-[(3S)- 1-(3- fluoropropyl)- pyrrolidin-3- yl]...)
Show SMILES Cc1cc2cc(ccc2[nH]1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1
Show InChI InChI=1S/C33H35FN2O2/c1-22-18-26-19-25(8-13-32(26)35-22)30-5-2-4-24-20-27(37)9-12-31(24)33(30)23-6-10-28(11-7-23)38-29-14-17-36(21-29)16-3-15-34/h6-13,18-20,29,35,37H,2-5,14-17,21H2,1H3/t29-/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/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