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BDBM50171577 CHEMBL196681::N-(1-Benzo[1,3]dioxol-5-ylmethyl-piperidin-4-yl)-5-chloro-2-[(thiazol-2-ylmethyl)-amino]-nicotinamide

SMILES: Clc1cnc(NCc2nccs2)c(c1)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1

InChI Key: InChIKey=DRKRJLHXAWZXGK-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50171577   
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


(Homo sapiens (Human))
BDBM50171577
PNG
(CHEMBL196681 | N-(1-Benzo[1,3]dioxol-5-ylmethyl-pi...)
Show SMILES Clc1cnc(NCc2nccs2)c(c1)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C23H24ClN5O3S/c24-16-10-18(22(26-11-16)27-12-21-25-5-8-33-21)23(30)28-17-3-6-29(7-4-17)13-15-1-2-19-20(9-15)32-14-31-19/h1-2,5,8-11,17H,3-4,6-7,12-14H2,(H,26,27)(H,28,30)
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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6n/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


(Homo sapiens (Human))
BDBM50171577
PNG
(CHEMBL196681 | N-(1-Benzo[1,3]dioxol-5-ylmethyl-pi...)
Show SMILES Clc1cnc(NCc2nccs2)c(c1)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C23H24ClN5O3S/c24-16-10-18(22(26-11-16)27-12-21-25-5-8-33-21)23(30)28-17-3-6-29(7-4-17)13-15-1-2-19-20(9-15)32-14-31-19/h1-2,5,8-11,17H,3-4,6-7,12-14H2,(H,26,27)(H,28,30)
Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9n/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