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BDBM50184931 3-(3-chloro-4-fluorophenyl)-1-(3-(4-methylpiperazin-1-yl)propyl)-1-((1S,2R,5S)-5-phenylbicyclo[3.1.0]hexan-2-yl)urea::CHEMBL381810::N'-(3-chloro-4-fluorophenyl)-N-[3-(4-methyl-1-piperazinyl)-propyl]-N-[trans-5-phenylbicyclo[3.1.0]hex-2-yl]urea

SMILES: CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccccc2)C(=O)Nc2ccc(F)c(Cl)c2)CC1

InChI Key: InChIKey=OTUYJHFHWAHNGR-AVPJRLCVSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50184931   
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))
BDBM50184931
PNG
(3-(3-chloro-4-fluorophenyl)-1-(3-(4-methylpiperazi...)
Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccccc2)C(=O)Nc2ccc(F)c(Cl)c2)CC1
Show InChI InChI=1S/C27H34ClFN4O/c1-31-14-16-32(17-15-31)12-5-13-33(26(34)30-21-8-9-24(29)23(28)18-21)25-10-11-27(19-22(25)27)20-6-3-2-4-7-20/h2-4,6-9,18,22,25H,5,10-17,19H2,1H3,(H,30,34)/t22-,25-,27-/m1/s1
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PC sid
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Similars

Article
PubMed
8.90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1


Bioorg Med Chem Lett 16: 4262-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.069
BindingDB Entry DOI: 10.7270/Q2BC3Z5G
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50184931
PNG
(3-(3-chloro-4-fluorophenyl)-1-(3-(4-methylpiperazi...)
Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccccc2)C(=O)Nc2ccc(F)c(Cl)c2)CC1
Show InChI InChI=1S/C27H34ClFN4O/c1-31-14-16-32(17-15-31)12-5-13-33(26(34)30-21-8-9-24(29)23(28)18-21)25-10-11-27(19-22(25)27)20-6-3-2-4-7-20/h2-4,6-9,18,22,25H,5,10-17,19H2,1H3,(H,30,34)/t22-,25-,27-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
8.90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell


J Med Chem 49: 2294-310 (2006)


Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH
More data for this
Ligand-Target Pair