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BDBM50217060 1-((1S,2S,5S)-5-(2-(aminomethyl)thiazol-5-yl)bicyclo[3.1.0]hexan-2-yl)-3-(2,6-dichloropyridin-4-yl)-1-(3-((2R,5S)-2,5-dimethylpiperazin-1-yl)propyl)urea::CHEMBL391496

SMILES: C[C@H]1CN(CCCN([C@H]2CC[C@@]3(C[C@H]23)c2cnc(CN)s2)C(=O)Nc2cc(Cl)nc(Cl)c2)[C@H](C)CN1

InChI Key: InChIKey=ZMZHZCSLQGDVJZ-MRILWLIUSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50217060   
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))
BDBM50217060
PNG
(1-((1S,2S,5S)-5-(2-(aminomethyl)thiazol-5-yl)bicyc...)
Show SMILES C[C@H]1CN(CCCN([C@H]2CC[C@@]3(C[C@H]23)c2cnc(CN)s2)C(=O)Nc2cc(Cl)nc(Cl)c2)[C@H](C)CN1
Show InChI InChI=1S/C25H35Cl2N7OS/c1-15-14-33(16(2)12-29-15)6-3-7-34(24(35)31-17-8-21(26)32-22(27)9-17)19-4-5-25(10-18(19)25)20-13-30-23(11-28)36-20/h8-9,13,15-16,18-19,29H,3-7,10-12,14,28H2,1-2H3,(H,31,32,35)/t15-,16+,18+,19-,25-/m0/s1
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Similars

Article
PubMed
4n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


Assay Description
Antagonist activity at MCHR1


Bioorg Med Chem Lett 17: 4845-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.048
BindingDB Entry DOI: 10.7270/Q2V69J9H
More data for this
Ligand-Target Pair