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SMILES: COc1ccc(NCc2cncnc2)c(c1)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1

InChI Key: InChIKey=TXMNJORWSRBZPA-UHFFFAOYSA-N

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50171587   
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
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50171587
PNG
(CHEMBL373266 | N-(1-Benzo[1,3]dioxol-5-ylmethyl-pi...)
Show SMILES COc1ccc(NCc2cncnc2)c(c1)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C26H29N5O4/c1-33-21-3-4-23(29-14-19-12-27-16-28-13-19)22(11-21)26(32)30-20-6-8-31(9-7-20)15-18-2-5-24-25(10-18)35-17-34-24/h2-5,10-13,16,20,29H,6-9,14-15,17H2,1H3,(H,30,32)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity towards melanin-concentrating hormone receptor 1 in IMR32 cells


Bioorg Med Chem Lett 15: 4174-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.089
BindingDB Entry DOI: 10.7270/Q2N29WGN
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50171587
PNG
(CHEMBL373266 | N-(1-Benzo[1,3]dioxol-5-ylmethyl-pi...)
Show SMILES COc1ccc(NCc2cncnc2)c(c1)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C26H29N5O4/c1-33-21-3-4-23(29-14-19-12-27-16-28-13-19)22(11-21)26(32)30-20-6-8-31(9-7-20)15-18-2-5-24-25(10-18)35-17-34-24/h2-5,10-13,16,20,29H,6-9,14-15,17H2,1H3,(H,30,32)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against MCH1R IMR32 cells in FLIPR-based assay


Bioorg Med Chem Lett 15: 4174-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.089
BindingDB Entry DOI: 10.7270/Q2N29WGN
More data for this
Ligand-Target Pair