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Compile Data Set for Download or QSAR

Found 173 hits Enz. Inhib. hit(s) with all data for entry = 5569   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM39325
PNG
(MLS000072990 | N-(6-Methoxy-benzothiazol-2-yl)-2-(...)
Show SMILES COc1ccc2nc(NC(=O)CSc3nc4cccnc4n3C)sc2c1
Show InChI InChI=1S/C17H15N5O2S2/c1-22-15-12(4-3-7-18-15)20-17(22)25-9-14(23)21-16-19-11-6-5-10(24-2)8-13(11)26-16/h3-8H,9H2,1-2H3,(H,19,21,23)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM38296
PNG
(MLS000076302 | SMR000007919 | [4-[2-(3-chloropheny...)
Show SMILES Cc1cc(N2CCN(CC2)C(=O)c2ccco2)n2nc(cc2n1)-c1cccc(Cl)c1
Show InChI InChI=1S/C22H20ClN5O2/c1-15-12-21(26-7-9-27(10-8-26)22(29)19-6-3-11-30-19)28-20(24-15)14-18(25-28)16-4-2-5-17(23)13-16/h2-6,11-14H,7-10H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM88420
PNG
(2-amino-1-[(E)-3-pyridylmethyleneamino]-N-sec-buty...)
Show SMILES CCC(C)NC(=O)c1c(N)n(\N=C\c2cccnc2)c2nc3ccccc3nc12
Show InChI InChI=1S/C21H21N7O/c1-3-13(2)25-21(29)17-18-20(27-16-9-5-4-8-15(16)26-18)28(19(17)22)24-12-14-7-6-10-23-11-14/h4-13H,3,22H2,1-2H3,(H,25,29)/b24-12+
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM88421
PNG
(2-(1,3-benzodioxol-5-yloxy)-N-(3-dibenzofuranyl)ac...)
Show SMILES O=C(COc1ccc2OCOc2c1)Nc1ccc2c(c1)oc1ccccc21
Show InChI InChI=1S/C21H15NO5/c23-21(11-24-14-6-8-18-20(10-14)26-12-25-18)22-13-5-7-16-15-3-1-2-4-17(15)27-19(16)9-13/h1-10H,11-12H2,(H,22,23)
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM88422
PNG
(MLS000099834 | N-(5-ethylsulfanyl-1,3,4-thiadiazol...)
Show SMILES CCSc1nnc(NC(=O)c2csc3CCCCc23)s1
Show InChI InChI=1S/C13H15N3OS3/c1-2-18-13-16-15-12(20-13)14-11(17)9-7-19-10-6-4-3-5-8(9)10/h7H,2-6H2,1H3,(H,14,15,17)
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM39556
PNG
(5-[[3-(3,5-dimethyl-1-pyrazolyl)-6-methyl-2-quinox...)
Show SMILES Cc1cc(C)n(n1)-c1nc2cc(C)ccc2nc1Nc1ccc2[nH]c(=O)[nH]c2c1
Show InChI InChI=1S/C21H19N7O/c1-11-4-6-15-17(8-11)24-20(28-13(3)9-12(2)27-28)19(23-15)22-14-5-7-16-18(10-14)26-21(29)25-16/h4-10H,1-3H3,(H,22,23)(H2,25,26,29)
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM40529
PNG
(3,4,5-trimethoxy-N-[5-(3-methyl-2-thienyl)-1,3,4-t...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1nnc(s1)-c1sccc1C
Show InChI InChI=1S/C17H17N3O4S2/c1-9-5-6-25-14(9)16-19-20-17(26-16)18-15(21)10-7-11(22-2)13(24-4)12(8-10)23-3/h5-8H,1-4H3,(H,18,20,21)
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM88423
PNG
(7-(4-ethylphenyl)-5-(4-fluorophenyl)-1,5,6,7-tetra...)
Show SMILES CCc1ccc(cc1)C1CC(Nc2nc(N)nn12)c1ccc(F)cc1
Show InChI InChI=1S/C19H20FN5/c1-2-12-3-5-14(6-4-12)17-11-16(13-7-9-15(20)10-8-13)22-19-23-18(21)24-25(17)19/h3-10,16-17H,2,11H2,1H3,(H3,21,22,23,24)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM88424
PNG
((16Z)-16-[(1-ethyl-3-methyl-4-pyrazolyl)methyliden...)
Show SMILES CCn1cc(\C=C2\CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2=O)c(C)n1 |t:11|
Show InChI InChI=1S/C26H36N2O2/c1-5-28-15-18(16(2)27-28)12-17-13-23-21-7-6-19-14-20(29)8-10-25(19,3)22(21)9-11-26(23,4)24(17)30/h6,12,15,20-23,29H,5,7-11,13-14H2,1-4H3/b17-12-
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM48458
PNG
(Furan-2-carboxylic acid {2,5-diethoxy-4-[(thiophen...)
Show SMILES CCOc1cc(NC(=O)c2cccs2)c(OCC)cc1NC(=O)c1ccco1
Show InChI InChI=1S/C20H20N2O5S/c1-3-25-16-12-14(22-20(24)18-8-6-10-28-18)17(26-4-2)11-13(16)21-19(23)15-7-5-9-27-15/h5-12H,3-4H2,1-2H3,(H,21,23)(H,22,24)
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM34677
PNG
(3-(4-methylbenzoyl)benzo[g][1]benzofuran-4,5-dione...)
Show SMILES Cc1ccc(cc1)C(=O)c1coc-2c1C(=O)C(=O)c1ccccc-21
Show InChI InChI=1S/C20H12O4/c1-11-6-8-12(9-7-11)17(21)15-10-24-20-14-5-3-2-4-13(14)18(22)19(23)16(15)20/h2-10H,1H3
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM88425
PNG
(MLS000523054 | N-(3-ethoxypropyl)-N-(2-furanylmeth...)
Show SMILES CCOCCCN(Cc1ccco1)C(=O)c1cc2c(s1)c1cc(C)ccc1[nH]c2=O
Show InChI InChI=1S/C23H24N2O4S/c1-3-28-10-5-9-25(14-16-6-4-11-29-16)23(27)20-13-18-21(30-20)17-12-15(2)7-8-19(17)24-22(18)26/h4,6-8,11-13H,3,5,9-10,14H2,1-2H3,(H,24,26)
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM88426
PNG
(5-bromanyl-N-[4-[5-(2-methylphenyl)-1,2,4-oxadiazo...)
Show SMILES Cc1ccccc1-c1nc(no1)-c1ccc(NC(=O)c2ccc(Br)o2)cc1
Show InChI InChI=1S/C20H14BrN3O3/c1-12-4-2-3-5-15(12)20-23-18(24-27-20)13-6-8-14(9-7-13)22-19(25)16-10-11-17(21)26-16/h2-11H,1H3,(H,22,25)
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM88427
PNG
(MLS000536371 | N-[4-[5-(2-methylphenyl)-1,2,4-oxad...)
Show SMILES Cc1ccccc1-c1nc(no1)-c1ccc(NC(=O)c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C23H17N3O4/c1-14-4-2-3-5-18(14)23-25-21(26-30-23)15-6-9-17(10-7-15)24-22(27)16-8-11-19-20(12-16)29-13-28-19/h2-12H,13H2,1H3,(H,24,27)
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM88428
PNG
(MLS000523055 | N-(2-furanylmethyl)-8-methyl-4-oxo-...)
Show SMILES CC(C)OCCCN(Cc1ccco1)C(=O)c1cc2c(s1)c1cc(C)ccc1[nH]c2=O
Show InChI InChI=1S/C24H26N2O4S/c1-15(2)29-11-5-9-26(14-17-6-4-10-30-17)24(28)21-13-19-22(31-21)18-12-16(3)7-8-20(18)25-23(19)27/h4,6-8,10,12-13,15H,5,9,11,14H2,1-3H3,(H,25,27)
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM88429
PNG
(MLS000556991 | N-[(E)-(4-benzoxybenzylidene)amino]...)
Show SMILES O=C(N\N=C\c1ccc(OCc2ccccc2)cc1)c1cccs1
Show InChI InChI=1S/C19H16N2O2S/c22-19(18-7-4-12-24-18)21-20-13-15-8-10-17(11-9-15)23-14-16-5-2-1-3-6-16/h1-13H,14H2,(H,21,22)/b20-13+
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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM88430
PNG
(1-(4-methoxyphenyl)-3-[5-[2-(phenylmethylsulfanyl)...)
Show SMILES COc1ccc(NC(=O)Nc2nnc(s2)-c2ccccc2SCc2ccccc2)cc1
Show InChI InChI=1S/C23H20N4O2S2/c1-29-18-13-11-17(12-14-18)24-22(28)25-23-27-26-21(31-23)19-9-5-6-10-20(19)30-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3,(H2,24,25,27,28)
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM88431
PNG
(5-amino-1-(4-chlorobenzyl)-4-[4-(3,4-dimethoxyphen...)
Show SMILES COc1ccc(cc1OC)-c1csc(n1)-c1c(O)cn(Cc2ccc(Cl)cc2)c1N
Show InChI InChI=1S/C22H20ClN3O3S/c1-28-18-8-5-14(9-19(18)29-2)16-12-30-22(25-16)20-17(27)11-26(21(20)24)10-13-3-6-15(23)7-4-13/h3-9,11-12,27H,10,24H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM88432
PNG
((E)-1-[1-[2-(4-methylphenyl)-2-oxidanylidene-ethyl...)
Show SMILES Cc1ccc(cc1)C(=O)Cn1c(nc2ccccc12)C(=O)C=Cc1ccccc1 |w:21.23|
Show InChI InChI=1S/C25H20N2O2/c1-18-11-14-20(15-12-18)24(29)17-27-22-10-6-5-9-21(22)26-25(27)23(28)16-13-19-7-3-2-4-8-19/h2-16H,17H2,1H3
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM79531
PNG
(6-(4-Chloro-phenyl)-3-(5-phenyl-2H-pyrazol-3-yl)-7...)
Show SMILES Clc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1cc([nH]n1)-c1ccccc1 |t:8|
Show InChI InChI=1S/C19H13ClN6S/c20-14-8-6-13(7-9-14)17-11-27-19-24-23-18(26(19)25-17)16-10-15(21-22-16)12-4-2-1-3-5-12/h1-10H,11H2,(H,21,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM59898
PNG
(6-amino-4-[(E)-1-(2-furanyl)prop-1-en-2-yl]-3-(4-m...)
Show SMILES C\C(=C/c1ccco1)C1C(C#N)C(=N)Oc2[nH]nc(c12)-c1ccc(C)cc1
Show InChI InChI=1S/C21H18N4O2/c1-12-5-7-14(8-6-12)19-18-17(13(2)10-15-4-3-9-26-15)16(11-22)20(23)27-21(18)25-24-19/h3-10,16-17,23H,1-2H3,(H,24,25)/b13-10+,23-20?
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM41052
PNG
(3-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-N...)
Show SMILES COc1ccc(cc1Cl)-n1nc(C(=O)NCC(=O)Nc2ccccn2)c2ccccc2c1=O
Show InChI InChI=1S/C23H18ClN5O4/c1-33-18-10-9-14(12-17(18)24)29-23(32)16-7-3-2-6-15(16)21(28-29)22(31)26-13-20(30)27-19-8-4-5-11-25-19/h2-12H,13H2,1H3,(H,26,31)(H,25,27,30)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM88433
PNG
((E)-2-cyano-N-(2-furanylmethyl)-3-[1-(2-phenoxyeth...)
Show SMILES O=C(NCc1ccco1)C(=C\c1cn(CCOc2ccccc2)c2ccccc12)\C#N
Show InChI InChI=1S/C25H21N3O3/c26-16-19(25(29)27-17-22-9-6-13-30-22)15-20-18-28(24-11-5-4-10-23(20)24)12-14-31-21-7-2-1-3-8-21/h1-11,13,15,18H,12,14,17H2,(H,27,29)/b19-15+
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM65098
PNG
(4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[3-(dime...)
Show SMILES CN(C)CCCNC(=O)c1ccc(cc1)-c1nc(cs1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H22ClN3OS/c1-25(2)13-3-12-23-20(26)16-4-6-17(7-5-16)21-24-19(14-27-21)15-8-10-18(22)11-9-15/h4-11,14H,3,12-13H2,1-2H3,(H,23,26)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM88434
PNG
(MLS000325634 | N-(3,4-dichlorophenyl)-3-[(4-methox...)
Show SMILES COc1ccc(COc2ccsc2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C19H15Cl2NO3S/c1-24-14-5-2-12(3-6-14)11-25-17-8-9-26-18(17)19(23)22-13-4-7-15(20)16(21)10-13/h2-10H,11H2,1H3,(H,22,23)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM88435
PNG
(1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-4-(2-t...)
Show SMILES Nc1c(cnn1-c1nc(cs1)-c1ccc(Cl)cc1Cl)-c1cccs1
Show InChI InChI=1S/C16H10Cl2N4S2/c17-9-3-4-10(12(18)6-9)13-8-24-16(21-13)22-15(19)11(7-20-22)14-2-1-5-23-14/h1-8H,19H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM88436
PNG
(MLS000573965 | N-[(6-methyl-2-pyridyl)thiocarbamoy...)
Show SMILES Cc1cccc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)n1
Show InChI InChI=1S/C21H19N3OS/c1-15-9-8-14-18(22-15)23-21(26)24-20(25)19(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-14,19H,1H3,(H2,22,23,24,25,26)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM66396
PNG
((E)-N-[(4-ethoxy-2-nitro-phenyl)carbamothioyl]-3-(...)
Show SMILES CCOc1ccc(NC(=S)NC(=O)C=Cc2ccc(C)cc2)c(c1)[N+]([O-])=O |w:14.14|
Show InChI InChI=1S/C19H19N3O4S/c1-3-26-15-9-10-16(17(12-15)22(24)25)20-19(27)21-18(23)11-8-14-6-4-13(2)5-7-14/h4-12H,3H2,1-2H3,(H2,20,21,23,27)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM67944
PNG
(MLS000582086 | N-[4-[5-(4-methylphenyl)-1,3,4-oxad...)
Show SMILES Cc1ccc(cc1)-c1nnc(o1)-c1ccc(NC(=O)Cc2cccs2)cc1
Show InChI InChI=1S/C21H17N3O2S/c1-14-4-6-15(7-5-14)20-23-24-21(26-20)16-8-10-17(11-9-16)22-19(25)13-18-3-2-12-27-18/h2-12H,13H2,1H3,(H,22,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM88437
PNG
(Benzo[1,3]dioxole-5-carboxylic acid (5-benzothiazo...)
Show SMILES Clc1ccc(cc1NC(=O)c1ccc2OCOc2c1)-c1nc2ccccc2s1
Show InChI InChI=1S/C21H13ClN2O3S/c22-14-7-5-13(21-24-15-3-1-2-4-19(15)28-21)9-16(14)23-20(25)12-6-8-17-18(10-12)27-11-26-17/h1-10H,11H2,(H,23,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM57456
PNG
((4Z)-4-[[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]m...)
Show SMILES Clc1ccc(cc1)-c1nn(cc1C=c1c(=C)[nH][nH]c1=O)-c1ccccc1 |w:12.13|
Show InChI InChI=1S/C20H15ClN4O/c1-13-18(20(26)23-22-13)11-15-12-25(17-5-3-2-4-6-17)24-19(15)14-7-9-16(21)10-8-14/h2-12,22H,1H2,(H,23,26)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM79535
PNG
(2-({1-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-4-...)
Show SMILES Cc1cc(C)cc(OCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(C3=O)c45)CC2)c1
Show InChI InChI=1S/C29H32N2O4/c1-19-13-20(2)15-24(14-19)35-18-23(32)17-30-11-9-21(10-12-30)16-31-28(33)25-7-3-5-22-6-4-8-26(27(22)25)29(31)34/h3-8,13-15,21,23,32H,9-12,16-18H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM57475
PNG
(2-({1-[2-hydroxy-3-(2-naphthyloxy)propyl]-4-piperi...)
Show SMILES OC(COc1ccc2ccccc2c1)CN1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1
Show InChI InChI=1S/C31H30N2O4/c34-25(20-37-26-12-11-22-5-1-2-6-24(22)17-26)19-32-15-13-21(14-16-32)18-33-30(35)27-9-3-7-23-8-4-10-28(29(23)27)31(33)36/h1-12,17,21,25,34H,13-16,18-20H2
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n/an/an/an/a 6.31E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM88438
PNG
(4-(5-{2-Cyano-2-[(thiophen-2-ylmethyl)-carbamoyl]-...)
Show SMILES CCOC(=O)c1ccc(cc1)-c1ccc(\C=C(/C#N)C(=O)NCc2cccs2)o1
Show InChI InChI=1S/C22H18N2O4S/c1-2-27-22(26)16-7-5-15(6-8-16)20-10-9-18(28-20)12-17(13-23)21(25)24-14-19-4-3-11-29-19/h3-12H,2,14H2,1H3,(H,24,25)/b17-12+
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM88439
PNG
(5-(4-chlorophenyl)-N-[(2-hydroxy-4-methyl-phenyl)t...)
Show SMILES Cc1ccc(NC(=S)NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)c(O)c1
Show InChI InChI=1S/C19H15ClN2O3S/c1-11-2-7-14(15(23)10-11)21-19(26)22-18(24)17-9-8-16(25-17)12-3-5-13(20)6-4-12/h2-10,23H,1H3,(H2,21,22,24,26)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM88440
PNG
(2-(2-methylanilino)-N-[(Z)-[(3E,5E)-6-phenylhexa-3...)
Show SMILES CC(C=CC=Cc1ccccc1)=NNC(=O)CNc1ccccc1C |w:12.13,5.5,2.1|
Show InChI InChI=1S/C21H23N3O/c1-17-10-6-9-15-20(17)22-16-21(25)24-23-18(2)11-7-8-14-19-12-4-3-5-13-19/h3-15,22H,16H2,1-2H3,(H,24,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM88441
PNG
(MLS000581527 | N-[5-(2-chlorobenzyl)-1,3-thiazol-2...)
Show SMILES CCc1ccc(CCC(=O)Nc2ncc(Cc3ccccc3Cl)s2)o1
Show InChI InChI=1S/C19H19ClN2O2S/c1-2-14-7-8-15(24-14)9-10-18(23)22-19-21-12-16(25-19)11-13-5-3-4-6-17(13)20/h3-8,12H,2,9-11H2,1H3,(H,21,22,23)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM79537
PNG
(MLS000595044 | N'-(1H-indol-3-ylmethylene)-2,2...)
Show SMILES O=C(NN=Cc1c[nH]c2ccccc12)C1CC1(c1ccccc1)c1ccccc1 |w:3.2|
Show InChI InChI=1S/C25H21N3O/c29-24(28-27-17-18-16-26-23-14-8-7-13-21(18)23)22-15-25(22,19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,16-17,22,26H,15H2,(H,28,29)/b27-17+
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM55532
PNG
(MLS000582933 | N-(5-bromanyl-6-methyl-pyridin-2-yl...)
Show SMILES Cc1nc(NC(=O)c2cccc(c2)-c2cc3ccccc3oc2=O)ccc1Br
Show InChI InChI=1S/C22H15BrN2O3/c1-13-18(23)9-10-20(24-13)25-21(26)16-7-4-6-14(11-16)17-12-15-5-2-3-8-19(15)28-22(17)27/h2-12H,1H3,(H,24,25,26)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM88442
PNG
(MLS000573251 | N-({[3-(benzoylamino)phenyl]amino}c...)
Show SMILES O=C(NC(=S)Nc1cccc(NC(=O)c2ccccc2)c1)c1cccs1
Show InChI InChI=1S/C19H15N3O2S2/c23-17(13-6-2-1-3-7-13)20-14-8-4-9-15(12-14)21-19(25)22-18(24)16-10-5-11-26-16/h1-12H,(H,20,23)(H2,21,22,24,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM88443
PNG
(1-(1-benzyl-4-piperidyl)-3-(4-sec-butylphenyl)thio...)
Show SMILES CCC(C)c1ccc(NC(=S)NC2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C23H31N3S/c1-3-18(2)20-9-11-21(12-10-20)24-23(27)25-22-13-15-26(16-14-22)17-19-7-5-4-6-8-19/h4-12,18,22H,3,13-17H2,1-2H3,(H2,24,25,27)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM88444
PNG
(2-(phenylthio)-N-[5-(2-phenylvinyl)-1,3,4-thiadiaz...)
Show SMILES O=C(CSc1ccccc1)Nc1nnc(\C=C\c2ccccc2)s1
Show InChI InChI=1S/C18H15N3OS2/c22-16(13-23-15-9-5-2-6-10-15)19-18-21-20-17(24-18)12-11-14-7-3-1-4-8-14/h1-12H,13H2,(H,19,21,22)/b12-11+
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM87827
PNG
(MLS000573253 | N-[3-[2-(4-methylphenoxy)ethanoylca...)
Show SMILES Cc1ccc(OCC(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3)c2)cc1
Show InChI InChI=1S/C23H21N3O3S/c1-16-10-12-20(13-11-16)29-15-21(27)26-23(30)25-19-9-5-8-18(14-19)24-22(28)17-6-3-2-4-7-17/h2-14H,15H2,1H3,(H,24,28)(H2,25,26,27,30)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50213
PNG
(3-Hydroxy-naphthalene-2-carboxylic acid (1-benzyl-...)
Show SMILES Oc1cc2ccccc2cc1C(=O)N\N=C1/C(=O)N(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C26H19N3O3/c30-23-15-19-11-5-4-10-18(19)14-21(23)25(31)28-27-24-20-12-6-7-13-22(20)29(26(24)32)16-17-8-2-1-3-9-17/h1-15,30H,16H2,(H,28,31)/b27-24-
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM88445
PNG
(3-chloranyl-N-[[4-[(6-methoxypyrimidin-4-yl)sulfam...)
Show SMILES COc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3sc4ccccc4c3Cl)cc2)ncn1
Show InChI InChI=1S/C21H16ClN5O4S3/c1-31-17-10-16(23-11-24-17)27-34(29,30)13-8-6-12(7-9-13)25-21(32)26-20(28)19-18(22)14-4-2-3-5-15(14)33-19/h2-11H,1H3,(H,23,24,27)(H2,25,26,28,32)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM78178
PNG
(3-[2-(3-Hydroxy-phenylamino)-thiazol-4-yl]-6-metho...)
Show SMILES COc1ccc2oc(=O)c(cc2c1)-c1csc(Nc2cccc(O)c2)n1
Show InChI InChI=1S/C19H14N2O4S/c1-24-14-5-6-17-11(7-14)8-15(18(23)25-17)16-10-26-19(21-16)20-12-3-2-4-13(22)9-12/h2-10,22H,1H3,(H,20,21)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50991
PNG
(6-(4-Ethoxy-benzyl)-9-methoxy-6H-indolo[2,3-b]quin...)
Show SMILES CCOc1ccc(Cn2c3ccc(OC)cc3c3nc4ccccc4nc23)cc1
Show InChI InChI=1S/C24H21N3O2/c1-3-29-17-10-8-16(9-11-17)15-27-22-13-12-18(28-2)14-19(22)23-24(27)26-21-7-5-4-6-20(21)25-23/h4-14H,3,15H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM88446
PNG
(1,3-benzothiazol-2-yl-[(E)-[1-[2-(3-methylphenoxy)...)
Show SMILES Cc1cccc(OCCn2cccc2CN=Nc2nc3ccccc3s2)c1 |w:15.15|
Show InChI InChI=1S/C21H20N4OS/c1-16-6-4-8-18(14-16)26-13-12-25-11-5-7-17(25)15-22-24-21-23-19-9-2-3-10-20(19)27-21/h2-11,14H,12-13,15H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM88447
PNG
((E)-2-cyano-3-[1-[2-(2-fluoranylphenoxy)ethyl]indo...)
Show SMILES Fc1ccccc1OCCn1cc(\C=C(/C#N)C(=O)NCc2cccs2)c2ccccc12
Show InChI InChI=1S/C25H20FN3O2S/c26-22-8-2-4-10-24(22)31-12-11-29-17-19(21-7-1-3-9-23(21)29)14-18(15-27)25(30)28-16-20-6-5-13-32-20/h1-10,13-14,17H,11-12,16H2,(H,28,30)/b18-14+
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM52442
PNG
(2-[2-[(3-amino-7-methyl-thieno[2,3-b]quinoline-2-c...)
Show SMILES CCOC(=O)Cc1csc(NC(=O)c2sc3nc4cc(C)ccc4cc3c2N)n1
Show InChI InChI=1S/C20H18N4O3S2/c1-3-27-15(25)8-12-9-28-20(22-12)24-18(26)17-16(21)13-7-11-5-4-10(2)6-14(11)23-19(13)29-17/h4-7,9H,3,8,21H2,1-2H3,(H,22,24,26)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
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