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3 similar compounds to monomer 50215596

Compile data set for download or QSAR
Wt: 490.0
BDBM50215621
Wt: 477.0
BDBM50215593
Wt: 462.0
BDBM50215631

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50215621,50215593,50215631   
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))
BDBM50215593
PNG
(1-(4-(5-(aminomethyl)thiophen-2-yl)cyclohex-3-enyl...)
Show SMILES NCc1ccc(s1)C1=CCC(CC1)N(CCN1CCCC1)C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1/C24H30ClFN4OS/c25-21-15-18(5-9-22(21)26)28-24(31)30(14-13-29-11-1-2-12-29)19-6-3-17(4-7-19)23-10-8-20(16-27)32-23/h3,5,8-10,15,19H,1-2,4,6-7,11-14,16,27H2,(H,28,31)
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PC sid
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Similars

Article
PubMed
8.20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

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
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50215621
PNG
(1-(4-(5-acetylthiophen-2-yl)cyclohex-3-enyl)-3-(3-...)
Show SMILES CC(=O)c1ccc(s1)C1=CCC(CC1)N(CCN1CCCC1)C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1/C25H29ClFN3O2S/c1-17(31)23-10-11-24(33-23)18-4-7-20(8-5-18)30(15-14-29-12-2-3-13-29)25(32)28-19-6-9-22(27)21(26)16-19/h4,6,9-11,16,20H,2-3,5,7-8,12-15H2,1H3,(H,28,32)
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Article
PubMed
31n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

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
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50215631
PNG
(3-(3-chloro-4-fluorophenyl)-1-(4-(5-methylthiophen...)
Show SMILES Cc1ccc(s1)C1=CCC(CC1)N(CCN1CCCC1)C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1/C24H29ClFN3OS/c1-17-4-11-23(31-17)18-5-8-20(9-6-18)29(15-14-28-12-2-3-13-28)24(30)27-19-7-10-22(26)21(25)16-19/h4-5,7,10-11,16,20H,2-3,6,8-9,12-15H2,1H3,(H,27,30)
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PC cid
PC sid
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Article
PubMed
85n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

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