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Compile Data Set for Download or QSAR

Found 150 hits with Last Name = 'adan' and Initial = 'ra'   
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
Urokinase plasminogen activator surface receptor


(Homo sapiens (Human))
BDBM50005397
PNG
(CHEMBL2206684)
Show SMILES C=CCn1c(CN2C3=Nc4ccccc4C(=O)NC3=Nc3ccccc23)nc2ccccc12 |c:20,t:7|
Show InChI InChI=1S/C26H20N6O/c1-2-15-31-21-13-7-5-11-19(21)27-23(31)16-32-22-14-8-6-12-20(22)28-24-25(32)29-18-10-4-3-9-17(18)26(33)30-24/h2-14H,1,15-16H2,(H,28,30,33)
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0n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Binding affinity to uPAR


Bioorg Med Chem 20: 6989-7001 (2012)


Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80
More data for this
Ligand-Target Pair
Urokinase plasminogen activator surface receptor


(Homo sapiens (Human))
BDBM50402366
PNG
(CHEMBL2206696)
Show SMILES Nc1c(cc(-c2ccccc2)n1-c1ccncc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C22H17N5/c23-21-17(22-25-18-8-4-5-9-19(18)26-22)14-20(15-6-2-1-3-7-15)27(21)16-10-12-24-13-11-16/h1-14H,23H2,(H,25,26)
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0.00100n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Binding affinity to uPAR


Bioorg Med Chem 20: 6989-7001 (2012)


Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80
More data for this
Ligand-Target Pair
Urokinase plasminogen activator surface receptor


(Homo sapiens (Human))
BDBM50005398
PNG
(CHEMBL2206694)
Show SMILES Nc1c(cc(-c2ccccc2)n1Cc1nc2ccccc2[nH]1)C#N
Show InChI InChI=1S/C19H15N5/c20-11-14-10-17(13-6-2-1-3-7-13)24(19(14)21)12-18-22-15-8-4-5-9-16(15)23-18/h1-10H,12,21H2,(H,22,23)
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0.00100n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Binding affinity to uPAR


Bioorg Med Chem 20: 6989-7001 (2012)


Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80
More data for this
Ligand-Target Pair
Urokinase plasminogen activator surface receptor


(Homo sapiens (Human))
BDBM50402378
PNG
(CHEMBL2206685)
Show SMILES CCOC(=O)Cn1c(CN2C3=Nc4ccccc4C(=O)NC3=Nc3ccccc23)nc2ccccc12 |c:23,t:10|
Show InChI InChI=1S/C27H22N6O3/c1-2-36-24(34)16-32-21-13-7-5-11-19(21)28-23(32)15-33-22-14-8-6-12-20(22)29-25-26(33)30-18-10-4-3-9-17(18)27(35)31-25/h3-14H,2,15-16H2,1H3,(H,29,31,35)
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0.00200n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Binding affinity to uPAR


Bioorg Med Chem 20: 6989-7001 (2012)


Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80
More data for this
Ligand-Target Pair
Urokinase plasminogen activator surface receptor


(Homo sapiens (Human))
BDBM50402373
PNG
(CHEMBL2206691)
Show SMILES Nc1c(cc(-c2ccccc2)n1-c1cccc(Cl)c1)C#N
Show InChI InChI=1S/C17H12ClN3/c18-14-7-4-8-15(10-14)21-16(9-13(11-19)17(21)20)12-5-2-1-3-6-12/h1-10H,20H2
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0.00200n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Binding affinity to uPAR


Bioorg Med Chem 20: 6989-7001 (2012)


Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80
More data for this
Ligand-Target Pair
Urokinase plasminogen activator surface receptor


(Homo sapiens (Human))
BDBM50402360
PNG
(CHEMBL2206681)
Show SMILES Nc1c(cc(-c2ccccc2)n1Cc1nc2ccccc2[nH]1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C25H20N6/c26-24-17(25-29-20-12-6-7-13-21(20)30-25)14-22(16-8-2-1-3-9-16)31(24)15-23-27-18-10-4-5-11-19(18)28-23/h1-14H,15,26H2,(H,27,28)(H,29,30)
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0.00200n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Binding affinity to uPAR


Bioorg Med Chem 20: 6989-7001 (2012)


Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80
More data for this
Ligand-Target Pair
Urokinase plasminogen activator surface receptor


(Homo sapiens (Human))
BDBM50402361
PNG
(CHEMBL2206680)
Show SMILES Nc1c(cc(-c2ccccc2)n1-c1nc2ccccc2[nH]1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H18N6/c25-22-16(23-26-17-10-4-5-11-18(17)27-23)14-21(15-8-2-1-3-9-15)30(22)24-28-19-12-6-7-13-20(19)29-24/h1-14H,25H2,(H,26,27)(H,28,29)
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0.00200n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Binding affinity to uPAR


Bioorg Med Chem 20: 6989-7001 (2012)


Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80
More data for this
Ligand-Target Pair
Urokinase plasminogen activator surface receptor


(Homo sapiens (Human))
BDBM50402372
PNG
(CHEMBL2206692)
Show SMILES Nc1c(cc(-c2ccccc2)n1-c1ccc(Cl)cc1)C#N
Show InChI InChI=1S/C17H12ClN3/c18-14-6-8-15(9-7-14)21-16(10-13(11-19)17(21)20)12-4-2-1-3-5-12/h1-10H,20H2
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0.00300n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Binding affinity to uPAR


Bioorg Med Chem 20: 6989-7001 (2012)


Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80
More data for this
Ligand-Target Pair
Urokinase plasminogen activator surface receptor


(Homo sapiens (Human))
BDBM50402371
PNG
(CHEMBL2206693)
Show SMILES Nc1c(cc(-c2ccccc2)n1-c1nc2ccccc2[nH]1)C#N
Show InChI InChI=1S/C18H13N5/c19-11-13-10-16(12-6-2-1-3-7-12)23(17(13)20)18-21-14-8-4-5-9-15(14)22-18/h1-10H,20H2,(H,21,22)
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0.00300n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Binding affinity to uPAR


Bioorg Med Chem 20: 6989-7001 (2012)


Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80
More data for this
Ligand-Target Pair
Urokinase plasminogen activator surface receptor


(Homo sapiens (Human))
BDBM50402374
PNG
(CHEMBL2206690)
Show SMILES Nc1c(cc(-c2ccccc2)n1-c1ccc(Br)cc1)C#N
Show InChI InChI=1S/C17H12BrN3/c18-14-6-8-15(9-7-14)21-16(10-13(11-19)17(21)20)12-4-2-1-3-5-12/h1-10H,20H2
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0.00300n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Binding affinity to uPAR


Bioorg Med Chem 20: 6989-7001 (2012)


Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80
More data for this
Ligand-Target Pair
Urokinase plasminogen activator surface receptor


(Homo sapiens (Human))
BDBM50402363
PNG
(CHEMBL2206699)
Show SMILES Nc1c(cc(-c2ccccc2)n1-c1cccc(Cl)c1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C23H17ClN4/c24-16-9-6-10-17(13-16)28-21(15-7-2-1-3-8-15)14-18(22(28)25)23-26-19-11-4-5-12-20(19)27-23/h1-14H,25H2,(H,26,27)
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0.00400n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Binding affinity to uPAR


Bioorg Med Chem 20: 6989-7001 (2012)


Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80
More data for this
Ligand-Target Pair
Urokinase plasminogen activator surface receptor


(Homo sapiens (Human))
BDBM50402362
PNG
(CHEMBL2206700)
Show SMILES Nc1c(cc(-c2ccccc2)n1-c1ccc(Cl)cc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C23H17ClN4/c24-16-10-12-17(13-11-16)28-21(15-6-2-1-3-7-15)14-18(22(28)25)23-26-19-8-4-5-9-20(19)27-23/h1-14H,25H2,(H,26,27)
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0.00400n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Binding affinity to uPAR


Bioorg Med Chem 20: 6989-7001 (2012)


Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80
More data for this
Ligand-Target Pair
Urokinase plasminogen activator surface receptor


(Homo sapiens (Human))
BDBM50402375
PNG
(CHEMBL2206689)
Show SMILES Nc1c(cc(-c2ccccc2)n1-c1cccc(Br)c1)C#N
Show InChI InChI=1S/C17H12BrN3/c18-14-7-4-8-15(10-14)21-16(9-13(11-19)17(21)20)12-5-2-1-3-6-12/h1-10H,20H2
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0.00400n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Binding affinity to uPAR


Bioorg Med Chem 20: 6989-7001 (2012)


Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80
More data for this
Ligand-Target Pair
Urokinase plasminogen activator surface receptor


(Homo sapiens (Human))
BDBM50402370
PNG
(CHEMBL2206683)
Show SMILES O=C1NC2=Nc3ccccc3N(Cc3nc4ccccc4[nH]3)C2=Nc2ccccc12 |c:26,t:3|
Show InChI InChI=1S/C23H16N6O/c30-23-14-7-1-2-8-15(14)27-22-21(28-23)26-18-11-5-6-12-19(18)29(22)13-20-24-16-9-3-4-10-17(16)25-20/h1-12H,13H2,(H,24,25)(H,26,28,30)
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0.00600n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Binding affinity to uPAR


Bioorg Med Chem 20: 6989-7001 (2012)


Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80
More data for this
Ligand-Target Pair
Urokinase plasminogen activator surface receptor


(Homo sapiens (Human))
BDBM50402367
PNG
(CHEMBL2206695)
Show SMILES Nc1c(cc(-c2ccccc2)n1-c1ccccn1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C22H17N5/c23-21-16(22-25-17-10-4-5-11-18(17)26-22)14-19(15-8-2-1-3-9-15)27(21)20-12-6-7-13-24-20/h1-14H,23H2,(H,25,26)
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0.00700n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Binding affinity to uPAR


Bioorg Med Chem 20: 6989-7001 (2012)


Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80
More data for this
Ligand-Target Pair
Urokinase plasminogen activator surface receptor


(Homo sapiens (Human))
BDBM50402376
PNG
(CHEMBL2206688)
Show SMILES Nc1c(cc(-c2ccccc2)n1-c1ccncc1)C#N
Show InChI InChI=1S/C16H12N4/c17-11-13-10-15(12-4-2-1-3-5-12)20(16(13)18)14-6-8-19-9-7-14/h1-10H,18H2
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0.00800n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Binding affinity to uPAR


Bioorg Med Chem 20: 6989-7001 (2012)


Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80
More data for this
Ligand-Target Pair
Urokinase plasminogen activator surface receptor


(Homo sapiens (Human))
BDBM50402364
PNG
(CHEMBL2206698)
Show SMILES Nc1c(cc(-c2ccccc2)n1-c1ccc(Br)cc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C23H17BrN4/c24-16-10-12-17(13-11-16)28-21(15-6-2-1-3-7-15)14-18(22(28)25)23-26-19-8-4-5-9-20(19)27-23/h1-14H,25H2,(H,26,27)
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0.0110n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Binding affinity to uPAR


Bioorg Med Chem 20: 6989-7001 (2012)


Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80
More data for this
Ligand-Target Pair
Urokinase plasminogen activator surface receptor


(Homo sapiens (Human))
BDBM50402365
PNG
(CHEMBL2206697)
Show SMILES Nc1c(cc(-c2ccccc2)n1-c1cccc(Br)c1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C23H17BrN4/c24-16-9-6-10-17(13-16)28-21(15-7-2-1-3-8-15)14-18(22(28)25)23-26-19-11-4-5-12-20(19)27-23/h1-14H,25H2,(H,26,27)
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0.0120n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Binding affinity to uPAR


Bioorg Med Chem 20: 6989-7001 (2012)


Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80
More data for this
Ligand-Target Pair
Urokinase plasminogen activator surface receptor


(Homo sapiens (Human))
BDBM50402377
PNG
(CHEMBL2206687)
Show SMILES Nc1c(cc(-c2ccccc2)n1-c1ccccn1)C#N
Show InChI InChI=1S/C16H12N4/c17-11-13-10-14(12-6-2-1-3-7-12)20(16(13)18)15-8-4-5-9-19-15/h1-10H,18H2
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0.0330n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Binding affinity to uPAR


Bioorg Med Chem 20: 6989-7001 (2012)


Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80
More data for this
Ligand-Target Pair
Urokinase plasminogen activator surface receptor


(Homo sapiens (Human))
BDBM50402379
PNG
(CHEMBL2206686)
Show SMILES O=C(CC(C#N)C#N)c1ccccc1
Show InChI InChI=1S/C11H8N2O/c12-7-9(8-13)6-11(14)10-4-2-1-3-5-10/h1-5,9H,6H2
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0.296n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Binding affinity to uPAR


Bioorg Med Chem 20: 6989-7001 (2012)


Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80
More data for this
Ligand-Target Pair
Urokinase plasminogen activator surface receptor


(Homo sapiens (Human))
BDBM50402368
PNG
(CHEMBL2206682)
Show SMILES O=C1NC2=Nc3ccccc3NC2=Nc2ccccc12 |c:14,t:3|
Show InChI InChI=1S/C15H10N4O/c20-15-9-5-1-2-6-10(9)16-13-14(19-15)18-12-8-4-3-7-11(12)17-13/h1-8H,(H,16,17)(H,18,19,20)
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1.30n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Binding affinity to uPAR


Bioorg Med Chem 20: 6989-7001 (2012)


Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80
More data for this
Ligand-Target Pair
Urokinase plasminogen activator surface receptor


(Homo sapiens (Human))
BDBM50402369
PNG
(CHEMBL1652555)
Show SMILES Nc1nc2ccccc2[nH]c1=O
Show InChI InChI=1S/C8H7N3O/c9-7-8(12)11-6-4-2-1-3-5(6)10-7/h1-4H,(H2,9,10)(H,11,12)
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20.8n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Binding affinity to uPAR


Bioorg Med Chem 20: 6989-7001 (2012)


Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50410236
PNG
(CHEMBL365913)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C44H65N13O8/c1-3-4-16-32(53-27(2)58)39(61)52-26-38(60)54-33(18-10-11-20-45)41(63)56-35(22-28-13-6-5-7-14-28)43(65)55-34(19-12-21-49-44(47)48)42(64)57-36(40(62)51-25-37(46)59)23-29-24-50-31-17-9-8-15-30(29)31/h5-9,13-15,17,24,32-36,50H,3-4,10-12,16,18-23,25-26,45H2,1-2H3,(H2,46,59)(H,51,62)(H,52,61)(H,53,58)(H,54,60)(H,55,65)(H,56,63)(H,57,64)(H4,47,48,49)/t32-,33-,34-,35+,36-/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human melanocortin receptor-4 expressed in 293 HEK cells


J Med Chem 48: 4224-30 (2005)


Article DOI: 10.1021/jm0490033
BindingDB Entry DOI: 10.7270/Q2QV3NQ5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50410248
PNG
(CHEMBL186970)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C43H63N11O8/c1-3-4-16-33(50-28(2)55)40(59)49-26-39(58)54(21-11-10-19-44)27-38(57)51-35(22-29-13-6-5-7-14-29)43(62)52-34(18-12-20-45)42(61)53-36(41(60)48-25-37(46)56)23-30-24-47-32-17-9-8-15-31(30)32/h5-9,13-15,17,24,33-36,47H,3-4,10-12,16,18-23,25-27,44-45H2,1-2H3,(H2,46,56)(H,48,60)(H,49,59)(H,50,55)(H,51,57)(H,52,62)(H,53,61)/t33-,34-,35+,36-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human melanocortin receptor-4 expressed in 293 HEK cells


J Med Chem 48: 4224-30 (2005)


Article DOI: 10.1021/jm0490033
BindingDB Entry DOI: 10.7270/Q2QV3NQ5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50410249
PNG
(CHEMBL373344)
Show SMILES CCCCN(CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)C(C)=O
Show InChI InChI=1S/C44H65N13O8/c1-3-4-21-57(28(2)58)27-39(61)51-26-38(60)53-33(17-10-11-19-45)41(63)55-35(22-29-13-6-5-7-14-29)43(65)54-34(18-12-20-49-44(47)48)42(64)56-36(40(62)52-25-37(46)59)23-30-24-50-32-16-9-8-15-31(30)32/h5-9,13-16,24,33-36,50H,3-4,10-12,17-23,25-27,45H2,1-2H3,(H2,46,59)(H,51,61)(H,52,62)(H,53,60)(H,54,65)(H,55,63)(H,56,64)(H4,47,48,49)/t33-,34-,35+,36-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human melanocortin receptor-4 expressed in 293 HEK cells


J Med Chem 48: 4224-30 (2005)


Article DOI: 10.1021/jm0490033
BindingDB Entry DOI: 10.7270/Q2QV3NQ5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50410241
PNG
(CHEMBL188459)
Show SMILES CCCCN(CC(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)C(C)=O
Show InChI InChI=1S/C44H65N13O8/c1-3-4-20-56(29(2)58)27-38(60)51-26-40(62)57(21-11-10-18-45)28-39(61)53-35(22-30-13-6-5-7-14-30)43(65)54-34(17-12-19-49-44(47)48)42(64)55-36(41(63)52-25-37(46)59)23-31-24-50-33-16-9-8-15-32(31)33/h5-9,13-16,24,34-36,50H,3-4,10-12,17-23,25-28,45H2,1-2H3,(H2,46,59)(H,51,60)(H,52,63)(H,53,61)(H,54,65)(H,55,64)(H4,47,48,49)/t34-,35+,36-/m0/s1
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n/an/a 63n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human melanocortin receptor-4 expressed in 293 HEK cells


J Med Chem 48: 4224-30 (2005)


Article DOI: 10.1021/jm0490033
BindingDB Entry DOI: 10.7270/Q2QV3NQ5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50410252
PNG
(CHEMBL190551)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCNC(N)=N)CC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O
Show InChI InChI=1S/C45H67N13O8/c1-3-4-16-35(54-30(2)59)42(64)53-27-39(61)55-36(18-10-11-20-46)43(65)56-37(24-31-13-6-5-7-14-31)44(66)58(22-12-21-50-45(48)49)29-41(63)57(28-40(62)52-26-38(47)60)23-19-32-25-51-34-17-9-8-15-33(32)34/h5-9,13-15,17,25,35-37,51H,3-4,10-12,16,18-24,26-29,46H2,1-2H3,(H2,47,60)(H,52,62)(H,53,64)(H,54,59)(H,55,61)(H,56,65)(H4,48,49,50)/t35-,36-,37+/m0/s1
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n/an/a 79n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human melanocortin receptor-4 expressed in 293 HEK cells


J Med Chem 48: 4224-30 (2005)


Article DOI: 10.1021/jm0490033
BindingDB Entry DOI: 10.7270/Q2QV3NQ5
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50410249
PNG
(CHEMBL373344)
Show SMILES CCCCN(CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)C(C)=O
Show InChI InChI=1S/C44H65N13O8/c1-3-4-21-57(28(2)58)27-39(61)51-26-38(60)53-33(17-10-11-19-45)41(63)55-35(22-29-13-6-5-7-14-29)43(65)54-34(18-12-20-49-44(47)48)42(64)56-36(40(62)52-25-37(46)59)23-30-24-50-32-16-9-8-15-31(30)32/h5-9,13-16,24,33-36,50H,3-4,10-12,17-23,25-27,45H2,1-2H3,(H2,46,59)(H,51,61)(H,52,62)(H,53,60)(H,54,65)(H,55,63)(H,56,64)(H4,47,48,49)/t33-,34-,35+,36-/m0/s1
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n/an/a 126n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Effective concentration against human melanocortin receptor-3 expressed in 293 HEK cells


J Med Chem 48: 4224-30 (2005)


Article DOI: 10.1021/jm0490033
BindingDB Entry DOI: 10.7270/Q2QV3NQ5
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50410248
PNG
(CHEMBL186970)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C43H63N11O8/c1-3-4-16-33(50-28(2)55)40(59)49-26-39(58)54(21-11-10-19-44)27-38(57)51-35(22-29-13-6-5-7-14-29)43(62)52-34(18-12-20-45)42(61)53-36(41(60)48-25-37(46)56)23-30-24-47-32-17-9-8-15-31(30)32/h5-9,13-15,17,24,33-36,47H,3-4,10-12,16,18-23,25-27,44-45H2,1-2H3,(H2,46,56)(H,48,60)(H,49,59)(H,50,55)(H,51,57)(H,52,62)(H,53,61)/t33-,34-,35+,36-/m0/s1
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n/an/a 158n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Effective concentration against human melanocortin receptor-3 expressed in 293 HEK cells


J Med Chem 48: 4224-30 (2005)


Article DOI: 10.1021/jm0490033
BindingDB Entry DOI: 10.7270/Q2QV3NQ5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50410251
PNG
(CHEMBL2371835)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCCN=C(N)N)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:48.49,25.25,16.16,wD:4.3,(27.31,-19.56,;25.86,-19.03,;24.68,-20.02,;23.23,-19.48,;22.05,-20.47,;22.31,-21.99,;23.76,-22.52,;24.94,-21.53,;24.02,-24.04,;20.61,-19.94,;20.34,-18.42,;19.42,-20.93,;17.98,-20.39,;16.79,-21.38,;17.06,-22.9,;15.35,-20.85,;14.17,-21.84,;14.43,-23.35,;15.88,-23.88,;16.14,-25.4,;17.58,-25.93,;17.85,-27.45,;12.72,-21.31,;13.4,-19.92,;11.54,-22.29,;10.09,-21.76,;9.83,-20.24,;11.01,-19.26,;10.75,-17.74,;11.93,-16.75,;13.38,-17.28,;13.64,-18.8,;12.46,-19.79,;8.91,-22.75,;9.17,-24.26,;7.46,-22.22,;7.2,-20.7,;5.76,-20.17,;5.49,-18.65,;4.05,-18.12,;3.79,-16.6,;4.97,-15.61,;4.71,-14.1,;6.41,-16.15,;6.28,-23.2,;4.84,-22.67,;4.57,-21.15,;3.65,-23.66,;2.21,-23.13,;1.03,-24.11,;-.42,-23.58,;-.84,-22.1,;-2.38,-22.04,;-2.91,-23.49,;-4.34,-24.06,;-4.56,-25.58,;-3.35,-26.54,;-1.92,-25.96,;-1.7,-24.44,;1.95,-21.61,;3.13,-20.62,;.5,-21.08,;.24,-19.56,;-1.21,-19.03,;-1.47,-17.51,;-2.39,-20.02,)|
Show InChI InChI=1S/C45H67N13O8/c1-3-4-17-34(54-29(2)59)41(63)53-27-39(61)55-35(19-10-11-20-46)43(65)57-37(23-30-14-6-5-7-15-30)44(66)58(22-13-12-21-50-45(48)49)28-40(62)56-36(42(64)52-26-38(47)60)24-31-25-51-33-18-9-8-16-32(31)33/h5-9,14-16,18,25,34-37,51H,3-4,10-13,17,19-24,26-28,46H2,1-2H3,(H2,47,60)(H,52,64)(H,53,63)(H,54,59)(H,55,61)(H,56,62)(H,57,65)(H4,48,49,50)/t34-,35-,36?,37+/m0/s1
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n/an/a 158n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human melanocortin receptor-4 expressed in 293 HEK cells


J Med Chem 48: 4224-30 (2005)


Article DOI: 10.1021/jm0490033
BindingDB Entry DOI: 10.7270/Q2QV3NQ5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50410239
PNG
(CHEMBL190953)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C44H65N13O8/c1-3-4-16-34(53-29(2)58)41(63)52-25-40(62)56(21-11-10-19-45)28-39(61)54-36(22-30-13-6-5-7-14-30)42(64)55-35(18-12-20-49-44(47)48)43(65)57(27-38(60)51-24-37(46)59)26-31-23-50-33-17-9-8-15-32(31)33/h5-9,13-15,17,23,34-36,50H,3-4,10-12,16,18-22,24-28,45H2,1-2H3,(H2,46,59)(H,51,60)(H,52,63)(H,53,58)(H,54,61)(H,55,64)(H4,47,48,49)/t34-,35-,36+/m0/s1
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n/an/a 158n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human melanocortin receptor-4 expressed in 293 HEK cells


J Med Chem 48: 4224-30 (2005)


Article DOI: 10.1021/jm0490033
BindingDB Entry DOI: 10.7270/Q2QV3NQ5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50410247
PNG
(CHEMBL190080)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCCNC(N)=N)CC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O
Show InChI InChI=1S/C46H69N13O8/c1-3-4-17-36(55-31(2)60)43(65)54-28-40(62)56-37(19-10-11-21-47)44(66)57-38(25-32-14-6-5-7-15-32)45(67)59(23-13-12-22-51-46(49)50)30-42(64)58(29-41(63)53-27-39(48)61)24-20-33-26-52-35-18-9-8-16-34(33)35/h5-9,14-16,18,26,36-38,52H,3-4,10-13,17,19-25,27-30,47H2,1-2H3,(H2,48,61)(H,53,63)(H,54,65)(H,55,60)(H,56,62)(H,57,66)(H4,49,50,51)/t36-,37-,38+/m0/s1
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n/an/a 158n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human melanocortin receptor-4 expressed in 293 HEK cells


J Med Chem 48: 4224-30 (2005)


Article DOI: 10.1021/jm0490033
BindingDB Entry DOI: 10.7270/Q2QV3NQ5
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50410236
PNG
(CHEMBL365913)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C44H65N13O8/c1-3-4-16-32(53-27(2)58)39(61)52-26-38(60)54-33(18-10-11-20-45)41(63)56-35(22-28-13-6-5-7-14-28)43(65)55-34(19-12-21-49-44(47)48)42(64)57-36(40(62)51-25-37(46)59)23-29-24-50-31-17-9-8-15-30(29)31/h5-9,13-15,17,24,32-36,50H,3-4,10-12,16,18-23,25-26,45H2,1-2H3,(H2,46,59)(H,51,62)(H,52,61)(H,53,58)(H,54,60)(H,55,65)(H,56,63)(H,57,64)(H4,47,48,49)/t32-,33-,34-,35+,36-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human melanocortin receptor-3 expressed in 293 HEK cells


J Med Chem 48: 4224-30 (2005)


Article DOI: 10.1021/jm0490033
BindingDB Entry DOI: 10.7270/Q2QV3NQ5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50410257
PNG
(CHEMBL188738)
Show SMILES CCCCN(CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCNC(N)=N)CC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O)C(C)=O
Show InChI InChI=1S/C45H67N13O8/c1-3-4-21-56(31(2)59)28-40(62)53-27-39(61)54-36(17-10-11-19-46)43(65)55-37(24-32-13-6-5-7-14-32)44(66)58(22-12-20-50-45(48)49)30-42(64)57(29-41(63)52-26-38(47)60)23-18-33-25-51-35-16-9-8-15-34(33)35/h5-9,13-16,25,36-37,51H,3-4,10-12,17-24,26-30,46H2,1-2H3,(H2,47,60)(H,52,63)(H,53,62)(H,54,61)(H,55,65)(H4,48,49,50)/t36-,37+/m0/s1
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n/an/a 251n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human melanocortin receptor-4 expressed in 293 HEK cells


J Med Chem 48: 4224-30 (2005)


Article DOI: 10.1021/jm0490033
BindingDB Entry DOI: 10.7270/Q2QV3NQ5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50410261
PNG
(CHEMBL191120)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C44H65N13O8/c1-3-4-16-33(53-28(2)58)40(62)52-25-38(60)54-34(18-10-11-20-45)41(63)56-36(22-29-13-6-5-7-14-29)42(64)55-35(19-12-21-49-44(47)48)43(65)57(27-39(61)51-24-37(46)59)26-30-23-50-32-17-9-8-15-31(30)32/h5-9,13-15,17,23,33-36,50H,3-4,10-12,16,18-22,24-27,45H2,1-2H3,(H2,46,59)(H,51,61)(H,52,62)(H,53,58)(H,54,60)(H,55,64)(H,56,63)(H4,47,48,49)/t33-,34-,35-,36+/m0/s1
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n/an/a 251n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human melanocortin receptor-4 expressed in 293 HEK cells


J Med Chem 48: 4224-30 (2005)


Article DOI: 10.1021/jm0490033
BindingDB Entry DOI: 10.7270/Q2QV3NQ5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50410245
PNG
(CHEMBL191063)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCNC(N)=N)CC(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C44H65N13O8/c1-3-4-16-34(53-29(2)58)41(63)52-25-38(60)54-35(18-10-11-19-45)42(64)55-36(22-30-13-6-5-7-14-30)43(65)56(21-12-20-49-44(47)48)28-40(62)57(27-39(61)51-24-37(46)59)26-31-23-50-33-17-9-8-15-32(31)33/h5-9,13-15,17,23,34-36,50H,3-4,10-12,16,18-22,24-28,45H2,1-2H3,(H2,46,59)(H,51,61)(H,52,63)(H,53,58)(H,54,60)(H,55,64)(H4,47,48,49)/t34-,35-,36+/m0/s1
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n/an/a 316n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human melanocortin receptor-4 expressed in 293 HEK cells


J Med Chem 48: 4224-30 (2005)


Article DOI: 10.1021/jm0490033
BindingDB Entry DOI: 10.7270/Q2QV3NQ5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50410237
PNG
(CHEMBL372237)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O
Show InChI InChI=1S/C45H67N13O8/c1-3-4-16-34(54-29(2)59)41(63)53-27-39(61)55-35(18-10-11-21-46)42(64)57-37(24-30-13-6-5-7-14-30)43(65)56-36(19-12-22-50-45(48)49)44(66)58(28-40(62)52-26-38(47)60)23-20-31-25-51-33-17-9-8-15-32(31)33/h5-9,13-15,17,25,34-37,51H,3-4,10-12,16,18-24,26-28,46H2,1-2H3,(H2,47,60)(H,52,62)(H,53,63)(H,54,59)(H,55,61)(H,56,65)(H,57,64)(H4,48,49,50)/t34-,35-,36-,37+/m0/s1
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n/an/a 316n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human melanocortin receptor-4 expressed in 293 HEK cells


J Med Chem 48: 4224-30 (2005)


Article DOI: 10.1021/jm0490033
BindingDB Entry DOI: 10.7270/Q2QV3NQ5
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50098137
PNG
(2-amidino-4-iodobenzothiophene | 4-Iodo-benzo[b]th...)
Show SMILES NC(=N)c1cc2c(I)cccc2s1
Show InChI InChI=1S/C9H7IN2S/c10-6-2-1-3-7-5(6)4-8(13-7)9(11)12/h1-4H,(H3,11,12)
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n/an/a 320n/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of uPA


Bioorg Med Chem 20: 6989-7001 (2012)


Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50410238
PNG
(CHEMBL370321)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCNC(N)=N)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C44H65N13O8/c1-3-4-16-33(53-28(2)58)40(62)52-26-38(60)54-34(18-10-11-19-45)42(64)56-36(22-29-13-6-5-7-14-29)43(65)57(21-12-20-49-44(47)48)27-39(61)55-35(41(63)51-25-37(46)59)23-30-24-50-32-17-9-8-15-31(30)32/h5-9,13-15,17,24,33-36,50H,3-4,10-12,16,18-23,25-27,45H2,1-2H3,(H2,46,59)(H,51,63)(H,52,62)(H,53,58)(H,54,60)(H,55,61)(H,56,64)(H4,47,48,49)/t33-,34-,35-,36+/m0/s1
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n/an/a 398n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human melanocortin receptor-4 expressed in 293 HEK cells


J Med Chem 48: 4224-30 (2005)


Article DOI: 10.1021/jm0490033
BindingDB Entry DOI: 10.7270/Q2QV3NQ5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50410243
PNG
(CHEMBL365794)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCNC(N)=N)CC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O
Show InChI InChI=1S/C45H67N13O8/c1-3-4-16-36(54-31(2)59)43(65)53-27-41(63)56(21-11-10-19-46)29-40(62)55-37(24-32-13-6-5-7-14-32)44(66)58(22-12-20-50-45(48)49)30-42(64)57(28-39(61)52-26-38(47)60)23-18-33-25-51-35-17-9-8-15-34(33)35/h5-9,13-15,17,25,36-37,51H,3-4,10-12,16,18-24,26-30,46H2,1-2H3,(H2,47,60)(H,52,61)(H,53,65)(H,54,59)(H,55,62)(H4,48,49,50)/t36-,37+/m0/s1
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n/an/a 501n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human melanocortin receptor-4 expressed in 293 HEK cells


J Med Chem 48: 4224-30 (2005)


Article DOI: 10.1021/jm0490033
BindingDB Entry DOI: 10.7270/Q2QV3NQ5
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50410261
PNG
(CHEMBL191120)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C44H65N13O8/c1-3-4-16-33(53-28(2)58)40(62)52-25-38(60)54-34(18-10-11-20-45)41(63)56-36(22-29-13-6-5-7-14-29)42(64)55-35(19-12-21-49-44(47)48)43(65)57(27-39(61)51-24-37(46)59)26-30-23-50-32-17-9-8-15-31(30)32/h5-9,13-15,17,23,33-36,50H,3-4,10-12,16,18-22,24-27,45H2,1-2H3,(H2,46,59)(H,51,61)(H,52,62)(H,53,58)(H,54,60)(H,55,64)(H,56,63)(H4,47,48,49)/t33-,34-,35-,36+/m0/s1
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n/an/a 501n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human melanocortin receptor-3 expressed in 293 HEK cells


J Med Chem 48: 4224-30 (2005)


Article DOI: 10.1021/jm0490033
BindingDB Entry DOI: 10.7270/Q2QV3NQ5
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Mus musculus (Mouse))
BDBM50410247
PNG
(CHEMBL190080)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCCNC(N)=N)CC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O
Show InChI InChI=1S/C46H69N13O8/c1-3-4-17-36(55-31(2)60)43(65)54-28-40(62)56-37(19-10-11-21-47)44(66)57-38(25-32-14-6-5-7-15-32)45(67)59(23-13-12-22-51-46(49)50)30-42(64)58(29-41(63)53-27-39(48)61)24-20-33-26-52-35-18-9-8-16-34(33)35/h5-9,14-16,18,26,36-38,52H,3-4,10-13,17,19-25,27-30,47H2,1-2H3,(H2,48,61)(H,53,63)(H,54,65)(H,55,60)(H,56,62)(H,57,66)(H4,49,50,51)/t36-,37-,38+/m0/s1
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n/an/a 501n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from mouse melanocortin receptor-5 expressed in 293 HEK cells


J Med Chem 48: 4224-30 (2005)


Article DOI: 10.1021/jm0490033
BindingDB Entry DOI: 10.7270/Q2QV3NQ5
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50410247
PNG
(CHEMBL190080)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCCNC(N)=N)CC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O
Show InChI InChI=1S/C46H69N13O8/c1-3-4-17-36(55-31(2)60)43(65)54-28-40(62)56-37(19-10-11-21-47)44(66)57-38(25-32-14-6-5-7-15-32)45(67)59(23-13-12-22-51-46(49)50)30-42(64)58(29-41(63)53-27-39(48)61)24-20-33-26-52-35-18-9-8-16-34(33)35/h5-9,14-16,18,26,36-38,52H,3-4,10-13,17,19-25,27-30,47H2,1-2H3,(H2,48,61)(H,53,63)(H,54,65)(H,55,60)(H,56,62)(H,57,66)(H4,49,50,51)/t36-,37-,38+/m0/s1
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n/an/a 631n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human melanocortin receptor-3 expressed in 293 HEK cells


J Med Chem 48: 4224-30 (2005)


Article DOI: 10.1021/jm0490033
BindingDB Entry DOI: 10.7270/Q2QV3NQ5
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Mus musculus (Mouse))
BDBM50410239
PNG
(CHEMBL190953)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C44H65N13O8/c1-3-4-16-34(53-29(2)58)41(63)52-25-40(62)56(21-11-10-19-45)28-39(61)54-36(22-30-13-6-5-7-14-30)42(64)55-35(18-12-20-49-44(47)48)43(65)57(27-38(60)51-24-37(46)59)26-31-23-50-33-17-9-8-15-32(31)33/h5-9,13-15,17,23,34-36,50H,3-4,10-12,16,18-22,24-28,45H2,1-2H3,(H2,46,59)(H,51,60)(H,52,63)(H,53,58)(H,54,61)(H,55,64)(H4,47,48,49)/t34-,35-,36+/m0/s1
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n/an/a 631n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from mouse melanocortin receptor-5 expressed in 293 HEK cells


J Med Chem 48: 4224-30 (2005)


Article DOI: 10.1021/jm0490033
BindingDB Entry DOI: 10.7270/Q2QV3NQ5
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50410239
PNG
(CHEMBL190953)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C44H65N13O8/c1-3-4-16-34(53-29(2)58)41(63)52-25-40(62)56(21-11-10-19-45)28-39(61)54-36(22-30-13-6-5-7-14-30)42(64)55-35(18-12-20-49-44(47)48)43(65)57(27-38(60)51-24-37(46)59)26-31-23-50-33-17-9-8-15-32(31)33/h5-9,13-15,17,23,34-36,50H,3-4,10-12,16,18-22,24-28,45H2,1-2H3,(H2,46,59)(H,51,60)(H,52,63)(H,53,58)(H,54,61)(H,55,64)(H4,47,48,49)/t34-,35-,36+/m0/s1
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n/an/a 794n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human melanocortin receptor-3 expressed in 293 HEK cells


J Med Chem 48: 4224-30 (2005)


Article DOI: 10.1021/jm0490033
BindingDB Entry DOI: 10.7270/Q2QV3NQ5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50410260
PNG
(CHEMBL190427)
Show SMILES CCCCN(CC(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12)C(C)=O
Show InChI InChI=1S/C44H65N13O8/c1-3-4-20-55(30(2)58)27-38(60)52-25-41(63)56(21-11-10-18-45)29-40(62)53-36(22-31-13-6-5-7-14-31)42(64)54-35(17-12-19-49-44(47)48)43(65)57(28-39(61)51-24-37(46)59)26-32-23-50-34-16-9-8-15-33(32)34/h5-9,13-16,23,35-36,50H,3-4,10-12,17-22,24-29,45H2,1-2H3,(H2,46,59)(H,51,61)(H,52,60)(H,53,62)(H,54,64)(H4,47,48,49)/t35-,36+/m0/s1
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n/an/a 794n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human melanocortin receptor-4 expressed in 293 HEK cells


J Med Chem 48: 4224-30 (2005)


Article DOI: 10.1021/jm0490033
BindingDB Entry DOI: 10.7270/Q2QV3NQ5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50410244
PNG
(CHEMBL275999)
Show SMILES CCCCN(CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCNC(N)=N)CC(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12)C(C)=O
Show InChI InChI=1S/C44H65N13O8/c1-3-4-20-55(30(2)58)27-39(61)52-25-38(60)53-35(17-10-11-18-45)42(64)54-36(22-31-13-6-5-7-14-31)43(65)56(21-12-19-49-44(47)48)29-41(63)57(28-40(62)51-24-37(46)59)26-32-23-50-34-16-9-8-15-33(32)34/h5-9,13-16,23,35-36,50H,3-4,10-12,17-22,24-29,45H2,1-2H3,(H2,46,59)(H,51,62)(H,52,61)(H,53,60)(H,54,64)(H4,47,48,49)/t35-,36+/m0/s1
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n/an/a 794n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human melanocortin receptor-4 expressed in 293 HEK cells


J Med Chem 48: 4224-30 (2005)


Article DOI: 10.1021/jm0490033
BindingDB Entry DOI: 10.7270/Q2QV3NQ5
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Mus musculus (Mouse))
BDBM50410241
PNG
(CHEMBL188459)
Show SMILES CCCCN(CC(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)C(C)=O
Show InChI InChI=1S/C44H65N13O8/c1-3-4-20-56(29(2)58)27-38(60)51-26-40(62)57(21-11-10-18-45)28-39(61)53-35(22-30-13-6-5-7-14-30)43(65)54-34(17-12-19-49-44(47)48)42(64)55-36(41(63)52-25-37(46)59)23-31-24-50-33-16-9-8-15-32(31)33/h5-9,13-16,24,34-36,50H,3-4,10-12,17-23,25-28,45H2,1-2H3,(H2,46,59)(H,51,60)(H,52,63)(H,53,61)(H,54,65)(H,55,64)(H4,47,48,49)/t34-,35+,36-/m0/s1
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n/an/a 794n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from mouse melanocortin receptor-5 expressed in 293 HEK cells


J Med Chem 48: 4224-30 (2005)


Article DOI: 10.1021/jm0490033
BindingDB Entry DOI: 10.7270/Q2QV3NQ5
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Mus musculus (Mouse))
BDBM50410261
PNG
(CHEMBL191120)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C44H65N13O8/c1-3-4-16-33(53-28(2)58)40(62)52-25-38(60)54-34(18-10-11-20-45)41(63)56-36(22-29-13-6-5-7-14-29)42(64)55-35(19-12-21-49-44(47)48)43(65)57(27-39(61)51-24-37(46)59)26-30-23-50-32-17-9-8-15-31(30)32/h5-9,13-15,17,23,33-36,50H,3-4,10-12,16,18-22,24-27,45H2,1-2H3,(H2,46,59)(H,51,61)(H,52,62)(H,53,58)(H,54,60)(H,55,64)(H,56,63)(H4,47,48,49)/t33-,34-,35-,36+/m0/s1
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n/an/a 794n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from mouse melanocortin receptor-5 expressed in 293 HEK cells


J Med Chem 48: 4224-30 (2005)


Article DOI: 10.1021/jm0490033
BindingDB Entry DOI: 10.7270/Q2QV3NQ5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50410254
PNG
(CHEMBL190203)
Show SMILES CCCCN(CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12)C(C)=O
Show InChI InChI=1S/C44H65N13O8/c1-3-4-21-56(29(2)58)27-39(61)52-25-38(60)53-34(17-10-11-19-45)41(63)55-36(22-30-13-6-5-7-14-30)42(64)54-35(18-12-20-49-44(47)48)43(65)57(28-40(62)51-24-37(46)59)26-31-23-50-33-16-9-8-15-32(31)33/h5-9,13-16,23,34-36,50H,3-4,10-12,17-22,24-28,45H2,1-2H3,(H2,46,59)(H,51,62)(H,52,61)(H,53,60)(H,54,64)(H,55,63)(H4,47,48,49)/t34-,35-,36+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 794n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human melanocortin receptor-4 expressed in 293 HEK cells


J Med Chem 48: 4224-30 (2005)


Article DOI: 10.1021/jm0490033
BindingDB Entry DOI: 10.7270/Q2QV3NQ5
More data for this
Ligand-Target Pair
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