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BDBM50166525 3-[(R)-1-(2,4-Dichloro-benzyl)-2-oxo-2-(4-{2-[(2-thiophen-2-yl-ethylamino)-methyl]-phenyl}-piperazin-1-yl)-ethyl]-1,1-dimethyl-urea::CHEMBL194987

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

InChI Key: InChIKey=HSMWDLAIQGCRBD-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 = 50166525   
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))
BDBM50166525
PNG
(3-[(R)-1-(2,4-Dichloro-benzyl)-2-oxo-2-(4-{2-[(2-t...)
Show SMILES CN(C)C(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
Show InChI InChI=1S/C29H35Cl2N5O2S/c1-34(2)29(38)33-26(18-21-9-10-23(30)19-25(21)31)28(37)36-15-13-35(14-16-36)27-8-4-3-6-22(27)20-32-12-11-24-7-5-17-39-24/h3-10,17,19,26,32H,11-16,18,20H2,1-2H3,(H,33,38)/t26-/m1/s1
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2n/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 5 (MC5R)


(Homo sapiens (Human))
BDBM50166525
PNG
(3-[(R)-1-(2,4-Dichloro-benzyl)-2-oxo-2-(4-{2-[(2-t...)
Show SMILES CN(C)C(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
Show InChI InChI=1S/C29H35Cl2N5O2S/c1-34(2)29(38)33-26(18-21-9-10-23(30)19-25(21)31)28(37)36-15-13-35(14-16-36)27-8-4-3-6-22(27)20-32-12-11-24-7-5-17-39-24/h3-10,17,19,26,32H,11-16,18,20H2,1-2H3,(H,33,38)/t26-/m1/s1
UniProtKB/SwissProt

antibodypedia
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PC sid
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350n/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
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50166525
PNG
(3-[(R)-1-(2,4-Dichloro-benzyl)-2-oxo-2-(4-{2-[(2-t...)
Show SMILES CN(C)C(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
Show InChI InChI=1S/C29H35Cl2N5O2S/c1-34(2)29(38)33-26(18-21-9-10-23(30)19-25(21)31)28(37)36-15-13-35(14-16-36)27-8-4-3-6-22(27)20-32-12-11-24-7-5-17-39-24/h3-10,17,19,26,32H,11-16,18,20H2,1-2H3,(H,33,38)/t26-/m1/s1
UniProtKB/SwissProt

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560n/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
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50166525
PNG
(3-[(R)-1-(2,4-Dichloro-benzyl)-2-oxo-2-(4-{2-[(2-t...)
Show SMILES CN(C)C(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
Show InChI InChI=1S/C29H35Cl2N5O2S/c1-34(2)29(38)33-26(18-21-9-10-23(30)19-25(21)31)28(37)36-15-13-35(14-16-36)27-8-4-3-6-22(27)20-32-12-11-24-7-5-17-39-24/h3-10,17,19,26,32H,11-16,18,20H2,1-2H3,(H,33,38)/t26-/m1/s1
KEGG

UniProtKB/SwissProt

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6.80E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at melanocortin-1 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