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BDBM66443 1-(4-Chloro-benzoyl)-1-ethyl-2-oxo-1,7b-dihydro-cyclopropa[c]chromene-1a-carboxylic acid phenylamide::1-(4-chlorobenzoyl)-1-ethyl-2-keto-N-phenyl-7bH-cyclopropa[c]chromene-1a-carboxamide::1-(4-chlorobenzoyl)-1-ethyl-2-oxo-N-phenyl-7bH-cyclopropa[c]chromene-1a-carboxamide::1-(4-chlorophenyl)carbonyl-1-ethyl-2-oxidanylidene-N-phenyl-7bH-cyclopropa[c]chromene-1a-carboxamide::1-[(4-chlorophenyl)-oxomethyl]-1-ethyl-2-oxo-N-phenyl-7bH-cyclopropa[c][1]benzopyran-1a-carboxamide::MLS000580328::SMR000220559::cid_3327006

SMILES: CCC1(C2c3ccccc3OC(=O)C12C(=O)Nc1ccccc1)C(=O)c1ccc(Cl)cc1

InChI Key: InChIKey=LCHKXPXWDLBGEY-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 66443   
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
High-affinity choline transporter


(Homo sapiens (Human))
BDBM66443
PNG
(1-(4-Chloro-benzoyl)-1-ethyl-2-oxo-1,7b-dihydro-cy...)
Show SMILES CCC1(C2c3ccccc3OC(=O)C12C(=O)Nc1ccccc1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H20ClNO4/c1-2-25(22(29)16-12-14-17(27)15-13-16)21-19-10-6-7-11-20(19)32-24(31)26(21,25)23(30)28-18-8-4-3-5-9-18/h3-15,21H,2H2,1H3,(H,28,30)
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 8.44E+3n/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening ...


PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens (Human))
BDBM66443
PNG
(1-(4-Chloro-benzoyl)-1-ethyl-2-oxo-1,7b-dihydro-cy...)
Show SMILES CCC1(C2c3ccccc3OC(=O)C12C(=O)Nc1ccccc1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H20ClNO4/c1-2-25(22(29)16-12-14-17(27)15-13-16)21-19-10-6-7-11-20(19)32-24(31)26(21,25)23(30)28-18-8-4-3-5-9-18/h3-15,21H,2H2,1H3,(H,28,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>3.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair