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BDBM42445 5-tert-butyl-N-[2-(cyclopentylamino)-2-keto-ethyl]-N-(2-methoxyphenyl)-3-methyl-2-furamide::5-tert-butyl-N-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]-N-(2-methoxyphenyl)-3-methyl-furan-2-carboxamide::5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-3-methyl-2-furancarboxamide::5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-3-methylfuran-2-carboxamide::MLS000764944::SMR000286749::cid_1454987

SMILES: COc1ccccc1N(CC(=O)NC1CCCC1)C(=O)c1oc(cc1C)C(C)(C)C

InChI Key: InChIKey=UMVIEUMWWMRESW-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 42445   
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
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM42445
PNG
(5-tert-butyl-N-[2-(cyclopentylamino)-2-keto-ethyl]...)
Show SMILES COc1ccccc1N(CC(=O)NC1CCCC1)C(=O)c1oc(cc1C)C(C)(C)C
Show InChI InChI=1S/C24H32N2O4/c1-16-14-20(24(2,3)4)30-22(16)23(28)26(18-12-8-9-13-19(18)29-5)15-21(27)25-17-10-6-7-11-17/h8-9,12-14,17H,6-7,10-11,15H2,1-5H3,(H,25,27)
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>3.50E+4n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2V1235Z
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM42445
PNG
(5-tert-butyl-N-[2-(cyclopentylamino)-2-keto-ethyl]...)
Show SMILES COc1ccccc1N(CC(=O)NC1CCCC1)C(=O)c1oc(cc1C)C(C)(C)C
Show InChI InChI=1S/C24H32N2O4/c1-16-14-20(24(2,3)4)30-22(16)23(28)26(18-12-8-9-13-19(18)29-5)15-21(27)25-17-10-6-7-11-17/h8-9,12-14,17H,6-7,10-11,15H2,1-5H3,(H,25,27)
PDB

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UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.04E+4n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2ZS2TWK
More data for this
Ligand-Target Pair