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BDBM50166519 (R)-N-(3-(2,4-dichlorophenyl)-1-oxo-1-(4-(2-((2-(thiophen-2-yl)ethylamino)methyl)phenyl)piperazin-1-yl)propan-2-yl)acetamide::CHEMBL195071::N-[(R)-1-(2,4-Dichloro-benzyl)-2-oxo-2-(4-{2-[(2-thiophen-2-yl-ethylamino)-methyl]-phenyl}-piperazin-1-yl)-ethyl]-acetamide

SMILES: CC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1

InChI Key: InChIKey=DHGVVSQOBPUMLY-AREMUKBSSA-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 = 50166519   
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))
BDBM50166519
PNG
((R)-N-(3-(2,4-dichlorophenyl)-1-oxo-1-(4-(2-((2-(t...)
Show SMILES CC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
Show InChI InChI=1S/C28H32Cl2N4O2S/c1-20(35)32-26(17-21-8-9-23(29)18-25(21)30)28(36)34-14-12-33(13-15-34)27-7-3-2-5-22(27)19-31-11-10-24-6-4-16-37-24/h2-9,16,18,26,31H,10-15,17,19H2,1H3,(H,32,35)/t26-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.40n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3693-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.069
BindingDB Entry DOI: 10.7270/Q2NZ878P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50166519
PNG
((R)-N-(3-(2,4-dichlorophenyl)-1-oxo-1-(4-(2-((2-(t...)
Show SMILES CC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
Show InChI InChI=1S/C28H32Cl2N4O2S/c1-20(35)32-26(17-21-8-9-23(29)18-25(21)30)28(36)34-14-12-33(13-15-34)27-7-3-2-5-22(27)19-31-11-10-24-6-4-16-37-24/h2-9,16,18,26,31H,10-15,17,19H2,1H3,(H,32,35)/t26-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.40n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for melanocortin-4 receptor transfected in HEK 293 cells using [125I]-NDP-MSH as radioligand


Bioorg Med Chem Lett 15: 2541-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.053
BindingDB Entry DOI: 10.7270/Q22Z1527
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50166519
PNG
((R)-N-(3-(2,4-dichlorophenyl)-1-oxo-1-(4-(2-((2-(t...)
Show SMILES CC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
Show InChI InChI=1S/C28H32Cl2N4O2S/c1-20(35)32-26(17-21-8-9-23(29)18-25(21)30)28(36)34-14-12-33(13-15-34)27-7-3-2-5-22(27)19-31-11-10-24-6-4-16-37-24/h2-9,16,18,26,31H,10-15,17,19H2,1H3,(H,32,35)/t26-/m1/s1
UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
570n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for melanocortin-3 receptor transfected in HEK 293 cells using [125I]NDP-MSH as radioligand


Bioorg Med Chem Lett 15: 2541-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.053
BindingDB Entry DOI: 10.7270/Q22Z1527
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50166519
PNG
((R)-N-(3-(2,4-dichlorophenyl)-1-oxo-1-(4-(2-((2-(t...)
Show SMILES CC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
Show InChI InChI=1S/C28H32Cl2N4O2S/c1-20(35)32-26(17-21-8-9-23(29)18-25(21)30)28(36)34-14-12-33(13-15-34)27-7-3-2-5-22(27)19-31-11-10-24-6-4-16-37-24/h2-9,16,18,26,31H,10-15,17,19H2,1H3,(H,32,35)/t26-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
730n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at melanocortin-5 receptor stably transfected in HEK 293 cells using [125I]NDP-MSH as radiolabeled


Bioorg Med Chem Lett 15: 2541-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.053
BindingDB Entry DOI: 10.7270/Q22Z1527
More data for this
Ligand-Target Pair