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BDBM41039 MLS000324487::SMR000160394::[3-amino-6-(4-methoxyphenyl)-2-thieno[2,3-b]pyridinyl]-(3,4-dimethoxyphenyl)methanone::[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl](3,4-dimethoxyphenyl)methanone::[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(3,4-dimethoxyphenyl)methanone::[3-azanyl-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(3,4-dimethoxyphenyl)methanone::cid_1004085

SMILES: COc1ccc(cc1)-c1ccc2c(N)c(sc2n1)C(=O)c1ccc(OC)c(OC)c1

InChI Key: InChIKey=OEFWIJZKAIUFBL-UHFFFAOYSA-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 = 41039   
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
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM41039
PNG
(MLS000324487 | SMR000160394 | [3-amino-6-(4-methox...)
Show SMILES COc1ccc(cc1)-c1ccc2c(N)c(sc2n1)C(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C23H20N2O4S/c1-27-15-7-4-13(5-8-15)17-10-9-16-20(24)22(30-23(16)25-17)21(26)14-6-11-18(28-2)19(12-14)29-3/h4-12H,24H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.09E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM41039
PNG
(MLS000324487 | SMR000160394 | [3-amino-6-(4-methox...)
Show SMILES COc1ccc(cc1)-c1ccc2c(N)c(sc2n1)C(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C23H20N2O4S/c1-27-15-7-4-13(5-8-15)17-10-9-16-20(24)22(30-23(16)25-17)21(26)14-6-11-18(28-2)19(12-14)29-3/h4-12H,24H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 4.28E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM41039
PNG
(MLS000324487 | SMR000160394 | [3-amino-6-(4-methox...)
Show SMILES COc1ccc(cc1)-c1ccc2c(N)c(sc2n1)C(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C23H20N2O4S/c1-27-15-7-4-13(5-8-15)17-10-9-16-20(24)22(30-23(16)25-17)21(26)14-6-11-18(28-2)19(12-14)29-3/h4-12H,24H2,1-3H3
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 400n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23X8539
More data for this
Ligand-Target Pair