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BDBM269409 (E)-3-(4-((6-hydroxy-2- (4-hydroxyphenyl)- benzo[b]thiophen-3- yl)oxy)phenyl)acrylamide::US10058534, 64

SMILES: NC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(O)cc2)cc1

InChI Key: InChIKey=VSTANNMHRYLYHJ-KGVSQERTSA-N

Data: 2 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 2 hits for monomerid = 269409   
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))
BDBM269409
PNG
((E)-3-(4-((6-hydroxy-2- (4-hydroxyphenyl)- benzo[b...)
Show SMILES NC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C23H17NO4S/c24-21(27)12-3-14-1-9-18(10-2-14)28-22-19-11-8-17(26)13-20(19)29-23(22)15-4-6-16(25)7-5-15/h1-13,25-26H,(H2,24,27)/b12-3+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of mammalian ribonucleotide reductase


J Med Chem 61: 2837-2864 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01682
BindingDB Entry DOI: 10.7270/Q2TB1986
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM269409
PNG
((E)-3-(4-((6-hydroxy-2- (4-hydroxyphenyl)- benzo[b...)
Show SMILES NC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C23H17NO4S/c24-21(27)12-3-14-1-9-18(10-2-14)28-22-19-11-8-17(26)13-20(19)29-23(22)15-4-6-16(25)7-5-15/h1-13,25-26H,(H2,24,27)/b12-3+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 40n/an/an/an/a5.137



Novartis AG

US Patent


Assay Description
The ER transcription assay is a reporter assay that is based on the ability of ER to induce transcription from a luciferase reporter gene containing ...


US Patent US10058534 (2018)


BindingDB Entry DOI: 10.7270/Q2M32XSG
More data for this
Ligand-Target Pair