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BDBM41066 8-(3-Methyl-thiophen-2-yl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one::8-(3-methyl-2-thienyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one::8-(3-methyl-2-thiophenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one::8-(3-methylthiophen-2-yl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one::MLS000566464::SMR000177772::cid_619419

SMILES: Cc1ccsc1C1Nc2ccc3ncccc3c2C2=C1C(=O)CCC2

InChI Key: InChIKey=QQMVXUYSDBXPIN-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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 = 41066   
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))
BDBM41066
PNG
(8-(3-Methyl-thiophen-2-yl)-8,10,11,12-tetrahydro-7...)
Show SMILES Cc1ccsc1C1Nc2ccc3ncccc3c2C2=C1C(=O)CCC2 |c:21|
Show InChI InChI=1S/C21H18N2OS/c1-12-9-11-25-21(12)20-19-14(4-2-6-17(19)24)18-13-5-3-10-22-15(13)7-8-16(18)23-20/h3,5,7-11,20,23H,2,4,6H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 7.04E+3n/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))
BDBM41066
PNG
(8-(3-Methyl-thiophen-2-yl)-8,10,11,12-tetrahydro-7...)
Show SMILES Cc1ccsc1C1Nc2ccc3ncccc3c2C2=C1C(=O)CCC2 |c:21|
Show InChI InChI=1S/C21H18N2OS/c1-12-9-11-25-21(12)20-19-14(4-2-6-17(19)24)18-13-5-3-10-22-15(13)7-8-16(18)23-20/h3,5,7-11,20,23H,2,4,6H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.82E+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
MDM2-MDMX


(Homo sapiens (Human))
BDBM41066
PNG
(8-(3-Methyl-thiophen-2-yl)-8,10,11,12-tetrahydro-7...)
Show SMILES Cc1ccsc1C1Nc2ccc3ncccc3c2C2=C1C(=O)CCC2 |c:21|
Show InChI InChI=1S/C21H18N2OS/c1-12-9-11-25-21(12)20-19-14(4-2-6-17(19)24)18-13-5-3-10-22-15(13)7-8-16(18)23-20/h3,5,7-11,20,23H,2,4,6H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.50E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair