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SMILES: CCc1ccc(cc1)-c1ccc(s1)C(=O)N(C)[C@H]1CCN(C1)C(=O)N1CC[C@H](C1)NC1CCOCC1

InChI Key: InChIKey=GCOHNKLHHSQKLD-RPWUZVMVSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50190922   
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))
BDBM50190922
PNG
(5-(4-ethylphenyl)-N-methyl-N-((S)-1-((R)-3-(tetrah...)
Show SMILES CCc1ccc(cc1)-c1ccc(s1)C(=O)N(C)[C@H]1CCN(C1)C(=O)N1CC[C@H](C1)NC1CCOCC1
Show InChI InChI=1S/C28H38N4O3S/c1-3-20-4-6-21(7-5-20)25-8-9-26(36-25)27(33)30(2)24-11-15-32(19-24)28(34)31-14-10-23(18-31)29-22-12-16-35-17-13-22/h4-9,22-24,29H,3,10-19H2,1-2H3/t23-,24+/m1/s1
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PC cid
PC sid
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Article
PubMed
2n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1 by competitive binding assay


Bioorg Med Chem Lett 16: 4922-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.049
BindingDB Entry DOI: 10.7270/Q2TM7BX5
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50190922
PNG
(5-(4-ethylphenyl)-N-methyl-N-((S)-1-((R)-3-(tetrah...)
Show SMILES CCc1ccc(cc1)-c1ccc(s1)C(=O)N(C)[C@H]1CCN(C1)C(=O)N1CC[C@H](C1)NC1CCOCC1
Show InChI InChI=1S/C28H38N4O3S/c1-3-20-4-6-21(7-5-20)25-8-9-26(36-25)27(33)30(2)24-11-15-32(19-24)28(34)31-14-10-23(18-31)29-22-12-16-35-17-13-22/h4-9,22-24,29H,3,10-19H2,1-2H3/t23-,24+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.10E+3n/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 16: 4922-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.049
BindingDB Entry DOI: 10.7270/Q2TM7BX5
More data for this
Ligand-Target Pair