BindingDB logo
myBDB logout

BDBM312134 4-bromo-6-methoxy-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-8-carbonitrile::US9604931, 14I::US9623021, Compound 14k

SMILES: COc1ccc(cc1)-n1cc(Br)c2cc(OC)cc(C#N)c2c1=O

InChI Key: InChIKey=FSCSPCCXODGFCH-UHFFFAOYSA-N

Data: 4 KI

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 4 hits for monomerid = 312134   
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
Steroid hormone receptor ERR2


(Homo sapiens)
BDBM312134
PNG
(4-bromo-6-methoxy-2-(4-methoxyphenyl)-1-oxo-1,2-di...)
Show SMILES COc1ccc(cc1)-n1cc(Br)c2cc(OC)cc(C#N)c2c1=O
Show InChI InChI=1S/C18H13BrN2O3/c1-23-13-5-3-12(4-6-13)21-10-16(19)15-8-14(24-2)7-11(9-20)17(15)18(21)22/h3-8,10H,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
6n/an/an/an/an/an/an/an/a



GTx, Inc.; THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS

US Patent


Assay Description
Estrogen receptor (ERβ) binding affinity of the NRBAs was also determined using an in vitro competitive radioligand-binding assay with [3H]-estr...


US Patent US9604931 (2017)

More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM312134
PNG
(4-bromo-6-methoxy-2-(4-methoxyphenyl)-1-oxo-1,2-di...)
Show SMILES COc1ccc(cc1)-n1cc(Br)c2cc(OC)cc(C#N)c2c1=O
Show InChI InChI=1S/C18H13BrN2O3/c1-23-13-5-3-12(4-6-13)21-10-16(19)15-8-14(24-2)7-11(9-20)17(15)18(21)22/h3-8,10H,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
46n/an/an/an/an/an/an/an/a



GTX, Inc.

US Patent


Assay Description
Recombinant ER-α or ER-β ligand binding domain (LBD) was combined with [3H]E2 (PerkinElmer, Waltham, Mass.) in buffer A (10 mM Tris, pH 7.4...


US Patent US9623021 (2017)

More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM312134
PNG
(4-bromo-6-methoxy-2-(4-methoxyphenyl)-1-oxo-1,2-di...)
Show SMILES COc1ccc(cc1)-n1cc(Br)c2cc(OC)cc(C#N)c2c1=O
Show InChI InChI=1S/C18H13BrN2O3/c1-23-13-5-3-12(4-6-13)21-10-16(19)15-8-14(24-2)7-11(9-20)17(15)18(21)22/h3-8,10H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
76n/an/an/an/an/an/an/an/a



GTx, Inc.; THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS

US Patent


Assay Description
Estrogen receptor (ERβ) binding affinity of the NRBAs was also determined using an in vitro competitive radioligand-binding assay with [3H]-estr...


US Patent US9604931 (2017)

More data for this
Ligand-Target Pair
Estrogen receptor alpha


(Homo sapiens (Human))
BDBM312134
PNG
(4-bromo-6-methoxy-2-(4-methoxyphenyl)-1-oxo-1,2-di...)
Show SMILES COc1ccc(cc1)-n1cc(Br)c2cc(OC)cc(C#N)c2c1=O
Show InChI InChI=1S/C18H13BrN2O3/c1-23-13-5-3-12(4-6-13)21-10-16(19)15-8-14(24-2)7-11(9-20)17(15)18(21)22/h3-8,10H,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
>394n/an/an/an/an/an/an/an/a



GTX, Inc.

US Patent


Assay Description
Recombinant ER-α or ER-β ligand binding domain (LBD) was combined with [3H]E2 (PerkinElmer, Waltham, Mass.) in buffer A (10 mM Tris, pH 7.4...


US Patent US9623021 (2017)

More data for this
Ligand-Target Pair