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BDBM87274 2-(N-(2-chloro-1-oxoethyl)-4-methoxyanilino)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide::2-(N-(2-chloroacetyl)-4-methoxy-anilino)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide::2-(N-(2-chloroacetyl)-4-methoxyanilino)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide::2-[(chloroacetyl)(4-methoxyphenyl)amino]-N-cyclohexyl-2-(4-methoxyphenyl)acetamide::2-[2-chloranylethanoyl-(4-methoxyphenyl)amino]-N-cyclohexyl-2-(4-methoxyphenyl)ethanamide::MLS000583961::SMR000206947::cid_12004951

SMILES: COc1ccc(cc1)C(N(C(=O)CCl)c1ccc(OC)cc1)C(=O)NC1CCCCC1

InChI Key: InChIKey=HZEBNJIMAAAVHT-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 = 87274   
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
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM87274
PNG
(2-(N-(2-chloro-1-oxoethyl)-4-methoxyanilino)-N-cyc...)
Show SMILES COc1ccc(cc1)C(N(C(=O)CCl)c1ccc(OC)cc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C24H29ClN2O4/c1-30-20-12-8-17(9-13-20)23(24(29)26-18-6-4-3-5-7-18)27(22(28)16-25)19-10-14-21(31-2)15-11-19/h8-15,18,23H,3-7,16H2,1-2H3,(H,26,29)
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.59E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2D21W6V
More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(Homo sapiens (Human))
BDBM87274
PNG
(2-(N-(2-chloro-1-oxoethyl)-4-methoxyanilino)-N-cyc...)
Show SMILES COc1ccc(cc1)C(N(C(=O)CCl)c1ccc(OC)cc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C24H29ClN2O4/c1-30-20-12-8-17(9-13-20)23(24(29)26-18-6-4-3-5-7-18)27(22(28)16-25)19-10-14-21(31-2)15-11-19/h8-15,18,23H,3-7,16H2,1-2H3,(H,26,29)
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antibodypedia
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UniChem

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PCBioAssay
n/an/a 7.79E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2HT2MXV
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens (Human))
BDBM87274
PNG
(2-(N-(2-chloro-1-oxoethyl)-4-methoxyanilino)-N-cyc...)
Show SMILES COc1ccc(cc1)C(N(C(=O)CCl)c1ccc(OC)cc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C24H29ClN2O4/c1-30-20-12-8-17(9-13-20)23(24(29)26-18-6-4-3-5-7-18)27(22(28)16-25)19-10-14-21(31-2)15-11-19/h8-15,18,23H,3-7,16H2,1-2H3,(H,26,29)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.08E+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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q28914F2
More data for this
Ligand-Target Pair