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BDBM49131 MLS000087345::N-(2,4-difluorophenyl)-5,6-dihydro-4H-cyclopent[d]isoxazole-3-carboxamide::N-(2,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide::N-(2,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]isoxazole-3-carboxamide::N-[2,4-bis(fluoranyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide::SMR000023568::cid_3236796

SMILES: Fc1ccc(NC(=O)c2noc3CCCc23)c(F)c1

InChI Key: InChIKey=LRNPSGUAFBKGRH-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 = 49131   
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
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM49131
PNG
(MLS000087345 | N-(2,4-difluorophenyl)-5,6-dihydro-...)
Show SMILES Fc1ccc(NC(=O)c2noc3CCCc23)c(F)c1
Show InChI InChI=1S/C13H10F2N2O2/c14-7-4-5-10(9(15)6-7)16-13(18)12-8-2-1-3-11(8)19-17-12/h4-6H,1-3H2,(H,16,18)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 5.00E+4n/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: John A. Katzenellenbogen, ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CF9NHH
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM49131
PNG
(MLS000087345 | N-(2,4-difluorophenyl)-5,6-dihydro-...)
Show SMILES Fc1ccc(NC(=O)c2noc3CCCc23)c(F)c1
Show InChI InChI=1S/C13H10F2N2O2/c14-7-4-5-10(9(15)6-7)16-13(18)12-8-2-1-3-11(8)19-17-12/h4-6H,1-3H2,(H,16,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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))
BDBM49131
PNG
(MLS000087345 | N-(2,4-difluorophenyl)-5,6-dihydro-...)
Show SMILES Fc1ccc(NC(=O)c2noc3CCCc23)c(F)c1
Show InChI InChI=1S/C13H10F2N2O2/c14-7-4-5-10(9(15)6-7)16-13(18)12-8-2-1-3-11(8)19-17-12/h4-6H,1-3H2,(H,16,18)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 1.69E+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/Q2J67FCM
More data for this
Ligand-Target Pair