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BDBM50192614 5,6-difluoro-N-(3-(4-methylpiperazin-1-yl)propyl)-N-((1R,3R,6R)-6-(3-(pyrrolidin-1-ylmethyl)phenyl)bicyclo[4.1.0]heptan-3-yl)-1H-benzo[d]imidazol-2-amine::CHEMBL386311

SMILES: CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@@H]3C2)c2cccc(CN3CCCC3)c2)c2nc3cc(F)c(F)cc3[nH]2)CC1

InChI Key: InChIKey=YBAMUENHBJVFDO-CLTMYIMISA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50192614   
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))
BDBM50192614
PNG
(5,6-difluoro-N-(3-(4-methylpiperazin-1-yl)propyl)-...)
Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@@H]3C2)c2cccc(CN3CCCC3)c2)c2nc3cc(F)c(F)cc3[nH]2)CC1
Show InChI InChI=1S/C33H44F2N6/c1-38-14-16-39(17-15-38)12-5-13-41(32-36-30-20-28(34)29(35)21-31(30)37-32)27-8-9-33(22-26(33)19-27)25-7-4-6-24(18-25)23-40-10-2-3-11-40/h4,6-7,18,20-21,26-27H,2-3,5,8-17,19,22-23H2,1H3,(H,36,37)/t26-,27+,33+/m0/s1
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Article
PubMed
26n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding activity against human MCH-R1


Bioorg Med Chem Lett 16: 5427-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.058
BindingDB Entry DOI: 10.7270/Q228076K
More data for this
Ligand-Target Pair