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SMILES: COc1cc(NC(=O)c2ccc(Cc3ccccc3)cc2)ccc1OCCN(C(C)C)C(C)C

InChI Key: InChIKey=RHWZNYPLIQGMDA-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50150708   
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))		BDBM50150708
PNG
(4-Benzyl-N-[4-(2-diisopropylamino-ethoxy)-3-methox...)
Show SMILES COc1cc(NC(=O)c2ccc(Cc3ccccc3)cc2)ccc1OCCN(C(C)C)C(C)C
Show InChI InChI=1S/C29H36N2O3/c1-21(2)31(22(3)4)17-18-34-27-16-15-26(20-28(27)33-5)30-29(32)25-13-11-24(12-14-25)19-23-9-7-6-8-10-23/h6-16,20-22H,17-19H2,1-5H3,(H,30,32)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 40n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells

Bioorg Med Chem Lett 16: 4865-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.056
BindingDB Entry DOI: 10.7270/Q2F192GH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50150708
PNG
(4-Benzyl-N-[4-(2-diisopropylamino-ethoxy)-3-methox...)
Show SMILES COc1cc(NC(=O)c2ccc(Cc3ccccc3)cc2)ccc1OCCN(C(C)C)C(C)C
Show InChI InChI=1S/C29H36N2O3/c1-21(2)31(22(3)4)17-18-34-27-16-15-26(20-28(27)33-5)30-29(32)25-13-11-24(12-14-25)19-23-9-7-6-8-10-23/h6-16,20-22H,17-19H2,1-5H3,(H,30,32)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 79n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for Melanin-concentrating hormone 1 receptor expressed in CHO cells; Range is 40-79

J Med Chem 47: 3962-71 (2004)


Article DOI: 10.1021/jm040762v
BindingDB Entry DOI: 10.7270/Q2668CP3
More data for this
Ligand-Target Pair