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BDBM42453 2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-[1-(2-norbornyl)ethyl]acetamide::MLS000516952::N-[1-(3-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-(2-hydroxyethylamino)-1-benzimidazolyl]acetamide::N-[1-(3-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide::N-[1-(3-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanamide::SMR000343112::cid_3983351

SMILES: [H]C12CCC([H])(C1)C(C2)C(C)NC(=O)Cn1c(NCCO)nc2ccccc12

InChI Key: InChIKey=IMMAGYGNFBATCG-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 = 42453   
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 1


(Homo sapiens (Human))
BDBM42453
PNG
(2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-[1-...)
Show SMILES [H]C12CCC([H])(C1)C(C2)C(C)NC(=O)Cn1c(NCCO)nc2ccccc12 |TLB:9:7:6:3.2|
Show InChI InChI=1S/C20H28N4O2/c1-13(16-11-14-6-7-15(16)10-14)22-19(26)12-24-18-5-3-2-4-17(18)23-20(24)21-8-9-25/h2-5,13-16,25H,6-12H2,1H3,(H,21,23)(H,22,26)
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PC cid
PC sid
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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/Q2ZS2TWK
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))
BDBM42453
PNG
(2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-[1-...)
Show SMILES [H]C12CCC([H])(C1)C(C2)C(C)NC(=O)Cn1c(NCCO)nc2ccccc12 |TLB:9:7:6:3.2|
Show InChI InChI=1S/C20H28N4O2/c1-13(16-11-14-6-7-15(16)10-14)22-19(26)12-24-18-5-3-2-4-17(18)23-20(24)21-8-9-25/h2-5,13-16,25H,6-12H2,1H3,(H,21,23)(H,22,26)
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PCBioAssay
n/an/a 1.46E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2WH2NF9
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM42453
PNG
(2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-[1-...)
Show SMILES [H]C12CCC([H])(C1)C(C2)C(C)NC(=O)Cn1c(NCCO)nc2ccccc12 |TLB:9:7:6:3.2|
Show InChI InChI=1S/C20H28N4O2/c1-13(16-11-14-6-7-15(16)10-14)22-19(26)12-24-18-5-3-2-4-17(18)23-20(24)21-8-9-25/h2-5,13-16,25H,6-12H2,1H3,(H,21,23)(H,22,26)
PDB

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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