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PubMed code 16697186

Compile data set for download or QSAR
Found 17 hits of Enzyme Inhibition Constant Data   
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))		BDBM50186863
PNG
(CHEMBL379497 | N-((R)-3-(4-chlorophenyl)-1-(4-(1-c...)
Show SMILES CCN(CC)CC(CC1CCCCC1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1NCc2ccccc12
Show InChI InChI=1S/C36H52ClN5O2/c1-3-40(4-2)26-31(22-27-10-6-5-7-11-27)41-18-20-42(21-19-41)36(44)34(23-28-14-16-30(37)17-15-28)39-35(43)24-33-32-13-9-8-12-29(32)25-38-33/h8-9,12-17,27,31,33-34,38H,3-7,10-11,18-26H2,1-2H3,(H,39,43)/t31?,33?,34-/m1/s1
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 5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC4 receptor transfected in HEK293 cells

Bioorg Med Chem Lett 16: 3843-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.016
BindingDB Entry DOI: 10.7270/Q2SQ900D
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50186868
PNG
(CHEMBL213340 | N-{(R)-1-(4-chloro-benzyl)-2-[4-(4-...)
Show SMILES CN1CCC(CC2CCCCC2)(CC1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1NCc2ccccc12
Show InChI InChI=1S/C36H50ClN5O2/c1-40-17-15-36(16-18-40,25-28-7-3-2-4-8-28)42-21-19-41(20-22-42)35(44)33(23-27-11-13-30(37)14-12-27)39-34(43)24-32-31-10-6-5-9-29(31)26-38-32/h5-6,9-14,28,32-33,38H,2-4,7-8,15-26H2,1H3,(H,39,43)/t32?,33-/m1/s1
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 6.80n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC4 receptor transfected in HEK293 cells

Bioorg Med Chem Lett 16: 3843-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.016
BindingDB Entry DOI: 10.7270/Q2SQ900D
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50186862
PNG
(CHEMBL211260 | N-{(R)-1-(4-chloro-benzyl)-2-[4-(4-...)
Show SMILES CC(C)CC1(CCN(CC1)C(C)C)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1NCc2ccccc12
Show InChI InChI=1S/C35H50ClN5O2/c1-25(2)23-35(13-15-39(16-14-35)26(3)4)41-19-17-40(18-20-41)34(43)32(21-27-9-11-29(36)12-10-27)38-33(42)22-31-30-8-6-5-7-28(30)24-37-31/h5-12,25-26,31-32,37H,13-24H2,1-4H3,(H,38,42)/t31?,32-/m1/s1
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 13n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC4 receptor transfected in HEK293 cells

Bioorg Med Chem Lett 16: 3843-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.016
BindingDB Entry DOI: 10.7270/Q2SQ900D
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50186874
PNG
(CHEMBL376999 | N-{(R)-1-(4-chloro-benzyl)-2-[4-(4-...)
Show SMILES CC(C)CC1(CCN(C)CC1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1NCc2ccccc12
Show InChI InChI=1S/C33H46ClN5O2/c1-24(2)22-33(12-14-37(3)15-13-33)39-18-16-38(17-19-39)32(41)30(20-25-8-10-27(34)11-9-25)36-31(40)21-29-28-7-5-4-6-26(28)23-35-29/h4-11,24,29-30,35H,12-23H2,1-3H3,(H,36,40)/t29?,30-/m1/s1
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 13n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC4 receptor transfected in HEK293 cells

Bioorg Med Chem Lett 16: 3843-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.016
BindingDB Entry DOI: 10.7270/Q2SQ900D
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50186865
PNG
(CHEMBL211202 | N-{(R)-1-(4-chloro-benzyl)-2-[4-(1-...)
Show SMILES CCN1CCC(CC(C)C)(CC1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1NCc2ccccc12
Show InChI InChI=1S/C34H48ClN5O2/c1-4-38-15-13-34(14-16-38,23-25(2)3)40-19-17-39(18-20-40)33(42)31(21-26-9-11-28(35)12-10-26)37-32(41)22-30-29-8-6-5-7-27(29)24-36-30/h5-12,25,30-31,36H,4,13-24H2,1-3H3,(H,37,41)/t30?,31-/m1/s1
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 16n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC4 receptor transfected in HEK293 cells

Bioorg Med Chem Lett 16: 3843-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.016
BindingDB Entry DOI: 10.7270/Q2SQ900D
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50186869
PNG
(CHEMBL375388 | N-{(R)-1-(4-chloro-benzyl)-2-[4-(4-...)
Show SMILES CC(C)CC1(CCN(CC1)S(C)(=O)=O)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1NCc2ccccc12
Show InChI InChI=1S/C33H46ClN5O4S/c1-24(2)22-33(12-14-39(15-13-33)44(3,42)43)38-18-16-37(17-19-38)32(41)30(20-25-8-10-27(34)11-9-25)36-31(40)21-29-28-7-5-4-6-26(28)23-35-29/h4-11,24,29-30,35H,12-23H2,1-3H3,(H,36,40)/t29?,30-/m1/s1
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 27n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC4 receptor transfected in HEK293 cells

Bioorg Med Chem Lett 16: 3843-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.016
BindingDB Entry DOI: 10.7270/Q2SQ900D
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50186861
PNG
(CHEMBL213940 | N-{(R)-1-(4-chloro-benzyl)-2-[4-(4-...)
Show SMILES CC(C)CC1(CCOCC1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1NCc2ccccc12
Show InChI InChI=1S/C32H43ClN4O3/c1-23(2)21-32(11-17-40-18-12-32)37-15-13-36(14-16-37)31(39)29(19-24-7-9-26(33)10-8-24)35-30(38)20-28-27-6-4-3-5-25(27)22-34-28/h3-10,23,28-29,34H,11-22H2,1-2H3,(H,35,38)/t28?,29-/m1/s1
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 31n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC4 receptor transfected in HEK293 cells

Bioorg Med Chem Lett 16: 3843-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.016
BindingDB Entry DOI: 10.7270/Q2SQ900D
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50186864
PNG
(CHEMBL373735 | N-[(R)-2-[4-(1-acetyl-4-isobutyl-pi...)
Show SMILES CC(C)CC1(CCN(CC1)C(C)=O)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1NCc2ccccc12
Show InChI InChI=1S/C34H46ClN5O3/c1-24(2)22-34(12-14-38(15-13-34)25(3)41)40-18-16-39(17-19-40)33(43)31(20-26-8-10-28(35)11-9-26)37-32(42)21-30-29-7-5-4-6-27(29)23-36-30/h4-11,24,30-31,36H,12-23H2,1-3H3,(H,37,42)/t30?,31-/m1/s1
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 38n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC4 receptor transfected in HEK293 cells

Bioorg Med Chem Lett 16: 3843-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.016
BindingDB Entry DOI: 10.7270/Q2SQ900D
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50186871
PNG
(CHEMBL211032 | N-{(R)-1-(4-chloro-benzyl)-2-[4-(4-...)
Show SMILES CC(C)C1(CCN(C)CC1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1NCc2ccccc12
Show InChI InChI=1S/C32H44ClN5O2/c1-23(2)32(12-14-36(3)15-13-32)38-18-16-37(17-19-38)31(40)29(20-24-8-10-26(33)11-9-24)35-30(39)21-28-27-7-5-4-6-25(27)22-34-28/h4-11,23,28-29,34H,12-22H2,1-3H3,(H,35,39)/t28?,29-/m1/s1
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 42n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC4 receptor transfected in HEK293 cells

Bioorg Med Chem Lett 16: 3843-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.016
BindingDB Entry DOI: 10.7270/Q2SQ900D
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50186867
PNG
(CHEMBL378415 | N-[(R)-2-[4-(4-benzyl-1-methyl-pipe...)
Show SMILES CN1CCC(Cc2ccccc2)(CC1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1NCc2ccccc12
Show InChI InChI=1S/C36H44ClN5O2/c1-40-17-15-36(16-18-40,25-28-7-3-2-4-8-28)42-21-19-41(20-22-42)35(44)33(23-27-11-13-30(37)14-12-27)39-34(43)24-32-31-10-6-5-9-29(31)26-38-32/h2-14,32-33,38H,15-26H2,1H3,(H,39,43)/t32?,33-/m1/s1
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 44n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC4 receptor transfected in HEK293 cells

Bioorg Med Chem Lett 16: 3843-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.016
BindingDB Entry DOI: 10.7270/Q2SQ900D
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50186875
PNG
(CHEMBL375389 | N-{(R)-1-(4-chloro-benzyl)-2-[4-(1-...)
Show SMILES CC(C)CC1(CCCCC1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1NCc2ccccc12
Show InChI InChI=1S/C33H45ClN4O2/c1-24(2)22-33(14-6-3-7-15-33)38-18-16-37(17-19-38)32(40)30(20-25-10-12-27(34)13-11-25)36-31(39)21-29-28-9-5-4-8-26(28)23-35-29/h4-5,8-13,24,29-30,35H,3,6-7,14-23H2,1-2H3,(H,36,39)/t29?,30-/m1/s1
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 47n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC4 receptor transfected in HEK293 cells

Bioorg Med Chem Lett 16: 3843-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.016
BindingDB Entry DOI: 10.7270/Q2SQ900D
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50186859
PNG
(CHEMBL211475 | N-{(R)-1-(4-chloro-benzyl)-2-[4-(4-...)
Show SMILES CC(C)CC1(CCSCC1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1NCc2ccccc12
Show InChI InChI=1S/C32H43ClN4O2S/c1-23(2)21-32(11-17-40-18-12-32)37-15-13-36(14-16-37)31(39)29(19-24-7-9-26(33)10-8-24)35-30(38)20-28-27-6-4-3-5-25(27)22-34-28/h3-10,23,28-29,34H,11-22H2,1-2H3,(H,35,38)/t28?,29-/m1/s1
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 68n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC4 receptor transfected in HEK293 cells

Bioorg Med Chem Lett 16: 3843-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.016
BindingDB Entry DOI: 10.7270/Q2SQ900D
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50186860
PNG
(CHEMBL210922 | N-{(R)-1-(4-chloro-benzyl)-2-[4-(4-...)
Show SMILES CCCCCCC1(CCN(C)CC1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1NCc2ccccc12
Show InChI InChI=1S/C35H50ClN5O2/c1-3-4-5-8-15-35(16-18-39(2)19-17-35)41-22-20-40(21-23-41)34(43)32(24-27-11-13-29(36)14-12-27)38-33(42)25-31-30-10-7-6-9-28(30)26-37-31/h6-7,9-14,31-32,37H,3-5,8,15-26H2,1-2H3,(H,38,42)/t31?,32-/m1/s1
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 70n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC4 receptor transfected in HEK293 cells

Bioorg Med Chem Lett 16: 3843-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.016
BindingDB Entry DOI: 10.7270/Q2SQ900D
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50186866
PNG
(CHEMBL211792 | N-{(R)-1-(4-chloro-benzyl)-2-[4-(4-...)
Show SMILES CC(C)CC1(CCS(=O)(=O)CC1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1NCc2ccccc12
Show InChI InChI=1S/C32H43ClN4O4S/c1-23(2)21-32(11-17-42(40,41)18-12-32)37-15-13-36(14-16-37)31(39)29(19-24-7-9-26(33)10-8-24)35-30(38)20-28-27-6-4-3-5-25(27)22-34-28/h3-10,23,28-29,34H,11-22H2,1-2H3,(H,35,38)/t28?,29-/m1/s1
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 76n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC4 receptor transfected in HEK293 cells

Bioorg Med Chem Lett 16: 3843-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.016
BindingDB Entry DOI: 10.7270/Q2SQ900D
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50186873
PNG
(CHEMBL209417 | N-{(R)-1-(4-chloro-benzyl)-2-[4-(4-...)
Show SMILES CC(C)CC1(CCN(CC1)C(=O)C(C)C)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1NCc2ccccc12
Show InChI InChI=1S/C36H50ClN5O3/c1-25(2)23-36(13-15-40(16-14-36)34(44)26(3)4)42-19-17-41(18-20-42)35(45)32(21-27-9-11-29(37)12-10-27)39-33(43)22-31-30-8-6-5-7-28(30)24-38-31/h5-12,25-26,31-32,38H,13-24H2,1-4H3,(H,39,43)/t31?,32-/m1/s1
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 101n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC4 receptor transfected in HEK293 cells

Bioorg Med Chem Lett 16: 3843-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.016
BindingDB Entry DOI: 10.7270/Q2SQ900D
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50186872
PNG
(CHEMBL376936 | N-{(R)-1-(4-chloro-benzyl)-2-[4-(1-...)
Show SMILES CN1CCC(CC1)(N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1NCc2ccccc12)c1ccccc1
Show InChI InChI=1S/C35H42ClN5O2/c1-39-17-15-35(16-18-39,28-8-3-2-4-9-28)41-21-19-40(20-22-41)34(43)32(23-26-11-13-29(36)14-12-26)38-33(42)24-31-30-10-6-5-7-27(30)25-37-31/h2-14,31-32,37H,15-25H2,1H3,(H,38,42)/t31?,32-/m1/s1
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 215n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC4 receptor transfected in HEK293 cells

Bioorg Med Chem Lett 16: 3843-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.016
BindingDB Entry DOI: 10.7270/Q2SQ900D
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50186870
PNG
(CHEMBL208953 | N-{(R)-1-(4-chloro-benzyl)-2-[4-(4-...)
Show SMILES CCC1(CCN(C)CC1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1NCc2ccccc12
Show InChI InChI=1S/C31H42ClN5O2/c1-3-31(12-14-35(2)15-13-31)37-18-16-36(17-19-37)30(39)28(20-23-8-10-25(32)11-9-23)34-29(38)21-27-26-7-5-4-6-24(26)22-33-27/h4-11,27-28,33H,3,12-22H2,1-2H3,(H,34,38)/t27?,28-/m1/s1
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 370n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC4 receptor transfected in HEK293 cells

Bioorg Med Chem Lett 16: 3843-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.016
BindingDB Entry DOI: 10.7270/Q2SQ900D
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%