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BDBM50168643 3-Amino-N-{(R)-1-(2,4-dichloro-benzyl)-2-oxo-2-[4-(1-{[(thiophen-2-ylmethyl)-amino]-methyl}-cyclohexyl)-piperazin-1-yl]-ethyl}-propionamide::CHEMBL365465

SMILES: NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)C1(CNCc2cccs2)CCCCC1

InChI Key: InChIKey=XQPGJXQZZJHBDT-RUZDIDTESA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50168643   
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
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50168643
PNG
(3-Amino-N-{(R)-1-(2,4-dichloro-benzyl)-2-oxo-2-[4-...)
Show SMILES NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)C1(CNCc2cccs2)CCCCC1
Show InChI InChI=1S/C28H39Cl2N5O2S/c29-22-7-6-21(24(30)18-22)17-25(33-26(36)8-11-31)27(37)34-12-14-35(15-13-34)28(9-2-1-3-10-28)20-32-19-23-5-4-16-38-23/h4-7,16,18,25,32H,1-3,8-15,17,19-20,31H2,(H,33,36)/t25-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
12n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Inhibition of [125I]-AgRP(83132) (radioligand) binding to the hMC4R stably expressed in HEK293 cells


Bioorg Med Chem Lett 15: 3434-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.017
BindingDB Entry DOI: 10.7270/Q2PG1R8Q
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50168643
PNG
(3-Amino-N-{(R)-1-(2,4-dichloro-benzyl)-2-oxo-2-[4-...)
Show SMILES NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)C1(CNCc2cccs2)CCCCC1
Show InChI InChI=1S/C28H39Cl2N5O2S/c29-22-7-6-21(24(30)18-22)17-25(33-26(36)8-11-31)27(37)34-12-14-35(15-13-34)28(9-2-1-3-10-28)20-32-19-23-5-4-16-38-23/h4-7,16,18,25,32H,1-3,8-15,17,19-20,31H2,(H,33,36)/t25-/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.90E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP-MSH (radioligand) binding to the human MC5R stably expressed in HEK293 cells


Bioorg Med Chem Lett 15: 3434-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.017
BindingDB Entry DOI: 10.7270/Q2PG1R8Q
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50168643
PNG
(3-Amino-N-{(R)-1-(2,4-dichloro-benzyl)-2-oxo-2-[4-...)
Show SMILES NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)C1(CNCc2cccs2)CCCCC1
Show InChI InChI=1S/C28H39Cl2N5O2S/c29-22-7-6-21(24(30)18-22)17-25(33-26(36)8-11-31)27(37)34-12-14-35(15-13-34)28(9-2-1-3-10-28)20-32-19-23-5-4-16-38-23/h4-7,16,18,25,32H,1-3,8-15,17,19-20,31H2,(H,33,36)/t25-/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.40E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP-MSH (radioligand) binding to the human MC3R stably expressed in HEK293 cells


Bioorg Med Chem Lett 15: 3434-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.017
BindingDB Entry DOI: 10.7270/Q2PG1R8Q
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50168643
PNG
(3-Amino-N-{(R)-1-(2,4-dichloro-benzyl)-2-oxo-2-[4-...)
Show SMILES NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)C1(CNCc2cccs2)CCCCC1
Show InChI InChI=1S/C28H39Cl2N5O2S/c29-22-7-6-21(24(30)18-22)17-25(33-26(36)8-11-31)27(37)34-12-14-35(15-13-34)28(9-2-1-3-10-28)20-32-19-23-5-4-16-38-23/h4-7,16,18,25,32H,1-3,8-15,17,19-20,31H2,(H,33,36)/t25-/m1/s1
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.50E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP-MSH (radioligand) binding to human MC1R at 10 um concentration stably expressed in HEK293 cells


Bioorg Med Chem Lett 15: 3434-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.017
BindingDB Entry DOI: 10.7270/Q2PG1R8Q
More data for this
Ligand-Target Pair