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BDBM55007 MLS001081306::N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide::N-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide::N-[2-keto-2-(p-anisidino)ethyl]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide::SMR000715453::cid_9426403

SMILES: COc1ccc(NC(=O)CN(C)C(=O)c2cc3CCCc3s2)cc1

InChI Key: InChIKey=QAVUJIAWUVEMOI-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 = 55007   
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
core protein


(Hepatitis C virus)
BDBM55007
PNG
(MLS001081306 | N-[2-(4-methoxyanilino)-2-oxoethyl]...)
Show SMILES COc1ccc(NC(=O)CN(C)C(=O)c2cc3CCCc3s2)cc1
Show InChI InChI=1S/C18H20N2O3S/c1-20(18(22)16-10-12-4-3-5-15(12)24-16)11-17(21)19-13-6-8-14(23-2)9-7-13/h6-10H,3-5,11H2,1-2H3,(H,19,21)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.26E+4n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29Z939R
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM55007
PNG
(MLS001081306 | N-[2-(4-methoxyanilino)-2-oxoethyl]...)
Show SMILES COc1ccc(NC(=O)CN(C)C(=O)c2cc3CCCc3s2)cc1
Show InChI InChI=1S/C18H20N2O3S/c1-20(18(22)16-10-12-4-3-5-15(12)24-16)11-17(21)19-13-6-8-14(23-2)9-7-13/h6-10H,3-5,11H2,1-2H3,(H,19,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.09E+5n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM55007
PNG
(MLS001081306 | N-[2-(4-methoxyanilino)-2-oxoethyl]...)
Show SMILES COc1ccc(NC(=O)CN(C)C(=O)c2cc3CCCc3s2)cc1
Show InChI InChI=1S/C18H20N2O3S/c1-20(18(22)16-10-12-4-3-5-15(12)24-16)11-17(21)19-13-6-8-14(23-2)9-7-13/h6-10H,3-5,11H2,1-2H3,(H,19,21)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 7.31E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2J67FCM
More data for this
Ligand-Target Pair