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BDBM50215611 3-(3-chloro-4-fluorophenyl)-1-((3R,6S)-6-(3-cyanophenyl)bicyclo[4.1.0]heptan-3-yl)-1-(2-(diisopropylamino)ethyl)urea::CHEMBL229715

SMILES: CC(C)N(CCN([C@@H]1CC[C@@]2(CC2C1)c1cccc(c1)C#N)C(=O)Nc1ccc(F)c(Cl)c1)C(C)C

InChI Key: InChIKey=BLXNLULPHFNVHO-NXRLCEILSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50215611   
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))
BDBM50215611
PNG
(3-(3-chloro-4-fluorophenyl)-1-((3R,6S)-6-(3-cyanop...)
Show SMILES CC(C)N(CCN([C@@H]1CC[C@@]2(CC2C1)c1cccc(c1)C#N)C(=O)Nc1ccc(F)c(Cl)c1)C(C)C |w:12.13|
Show InChI InChI=1S/C29H36ClFN4O/c1-19(2)34(20(3)4)12-13-35(28(36)33-24-8-9-27(31)26(30)16-24)25-10-11-29(17-23(29)15-25)22-7-5-6-21(14-22)18-32/h5-9,14,16,19-20,23,25H,10-13,15,17H2,1-4H3,(H,33,36)/t23?,25-,29-/m1/s1
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Similars

Article
PubMed
4.98n/an/an/an/an/an/an/an/a



Universidad de Cartagena

Curated by ChEMBL


Assay Description
Antagonist activity at MCH1 receptor


Eur J Med Chem 45: 4509-22 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.011
BindingDB Entry DOI: 10.7270/Q2FT8N9V
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50215611
PNG
(3-(3-chloro-4-fluorophenyl)-1-((3R,6S)-6-(3-cyanop...)
Show SMILES CC(C)N(CCN([C@@H]1CC[C@@]2(CC2C1)c1cccc(c1)C#N)C(=O)Nc1ccc(F)c(Cl)c1)C(C)C |w:12.13|
Show InChI InChI=1S/C29H36ClFN4O/c1-19(2)34(20(3)4)12-13-35(28(36)33-24-8-9-27(31)26(30)16-24)25-10-11-29(17-23(29)15-25)22-7-5-6-21(14-22)18-32/h5-9,14,16,19-20,23,25H,10-13,15,17H2,1-4H3,(H,33,36)/t23?,25-,29-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


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


Bioorg Med Chem 15: 5369-85 (2007)


Article DOI: 10.1016/j.bmc.2007.05.068
BindingDB Entry DOI: 10.7270/Q25T3K5V
More data for this
Ligand-Target Pair