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SMILES: C[C@@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)NC(NC(=O)C(=O)[C@@H](Cc2ccccc2)NC1=O)C(=O)NN[C@H](Cc1ccc(O)cc1)C(=O)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NN

InChI Key: InChIKey=XEZOOYRFZJZPBS-AGAQULSSSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50144881   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Melanocortin receptor 3


(Mus musculus)		BDBM50144881
PNG
(CHEMBL413465 | Tyr-c[Asp-Trp-Arg-Phe-Asn-Ala-Phe-D...)
Show SMILES C[C@@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)NC(NC(=O)C(=O)[C@@H](Cc2ccccc2)NC1=O)C(=O)NN[C@H](Cc1ccc(O)cc1)C(=O)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NN
Show InChI InChI=1S/C68H80N18O17/c1-35-58(93)77-46(27-36-11-4-2-5-12-36)55(91)65(100)83-57(66(101)86-85-47(56(92)67(102)103)28-38-18-22-41(87)23-19-38)82-54(90)33-51(81-64(99)52(84-72)30-39-20-24-42(88)25-21-39)63(98)79-49(31-40-34-74-44-16-9-8-15-43(40)44)62(97)76-45(17-10-26-73-68(70)71)59(94)78-48(29-37-13-6-3-7-14-37)61(96)80-50(32-53(69)89)60(95)75-35/h2-9,11-16,18-25,34-35,45-52,57,74,84-85,87-88H,10,17,26-33,72H2,1H3,(H2,69,89)(H,75,95)(H,76,97)(H,77,93)(H,78,94)(H,79,98)(H,80,96)(H,81,99)(H,82,90)(H,83,100)(H,86,101)(H,102,103)(H4,70,71,73)/t35-,45+,46+,47+,48-,49-,50+,51-,52-,57?/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Effective concentration against mouse Melanocortin 3 receptor

J Med Chem 47: 2194-207 (2004)


Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)		BDBM50144881
PNG
(CHEMBL413465 | Tyr-c[Asp-Trp-Arg-Phe-Asn-Ala-Phe-D...)
Show SMILES C[C@@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)NC(NC(=O)C(=O)[C@@H](Cc2ccccc2)NC1=O)C(=O)NN[C@H](Cc1ccc(O)cc1)C(=O)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NN
Show InChI InChI=1S/C68H80N18O17/c1-35-58(93)77-46(27-36-11-4-2-5-12-36)55(91)65(100)83-57(66(101)86-85-47(56(92)67(102)103)28-38-18-22-41(87)23-19-38)82-54(90)33-51(81-64(99)52(84-72)30-39-20-24-42(88)25-21-39)63(98)79-49(31-40-34-74-44-16-9-8-15-43(40)44)62(97)76-45(17-10-26-73-68(70)71)59(94)78-48(29-37-13-6-3-7-14-37)61(96)80-50(32-53(69)89)60(95)75-35/h2-9,11-16,18-25,34-35,45-52,57,74,84-85,87-88H,10,17,26-33,72H2,1H3,(H2,69,89)(H,75,95)(H,76,97)(H,77,93)(H,78,94)(H,79,98)(H,80,96)(H,81,99)(H,82,90)(H,83,100)(H,86,101)(H,102,103)(H4,70,71,73)/t35-,45+,46+,47+,48-,49-,50+,51-,52-,57?/m0/s1
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n/an/an/an/a 1.59E+4n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Effective concentration against mouse melanocortin MC4 receptor; Partial agonist

J Med Chem 47: 2194-207 (2004)


Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Mus musculus (Mouse))		BDBM50144881
PNG
(CHEMBL413465 | Tyr-c[Asp-Trp-Arg-Phe-Asn-Ala-Phe-D...)
Show SMILES C[C@@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)NC(NC(=O)C(=O)[C@@H](Cc2ccccc2)NC1=O)C(=O)NN[C@H](Cc1ccc(O)cc1)C(=O)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NN
Show InChI InChI=1S/C68H80N18O17/c1-35-58(93)77-46(27-36-11-4-2-5-12-36)55(91)65(100)83-57(66(101)86-85-47(56(92)67(102)103)28-38-18-22-41(87)23-19-38)82-54(90)33-51(81-64(99)52(84-72)30-39-20-24-42(88)25-21-39)63(98)79-49(31-40-34-74-44-16-9-8-15-43(40)44)62(97)76-45(17-10-26-73-68(70)71)59(94)78-48(29-37-13-6-3-7-14-37)61(96)80-50(32-53(69)89)60(95)75-35/h2-9,11-16,18-25,34-35,45-52,57,74,84-85,87-88H,10,17,26-33,72H2,1H3,(H2,69,89)(H,75,95)(H,76,97)(H,77,93)(H,78,94)(H,79,98)(H,80,96)(H,81,99)(H,82,90)(H,83,100)(H,86,101)(H,102,103)(H4,70,71,73)/t35-,45+,46+,47+,48-,49-,50+,51-,52-,57?/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Effective concentration against mouse Melanocortin 5 receptor

J Med Chem 47: 2194-207 (2004)


Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)		BDBM50144881
PNG
(CHEMBL413465 | Tyr-c[Asp-Trp-Arg-Phe-Asn-Ala-Phe-D...)
Show SMILES C[C@@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)NC(NC(=O)C(=O)[C@@H](Cc2ccccc2)NC1=O)C(=O)NN[C@H](Cc1ccc(O)cc1)C(=O)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NN
Show InChI InChI=1S/C68H80N18O17/c1-35-58(93)77-46(27-36-11-4-2-5-12-36)55(91)65(100)83-57(66(101)86-85-47(56(92)67(102)103)28-38-18-22-41(87)23-19-38)82-54(90)33-51(81-64(99)52(84-72)30-39-20-24-42(88)25-21-39)63(98)79-49(31-40-34-74-44-16-9-8-15-43(40)44)62(97)76-45(17-10-26-73-68(70)71)59(94)78-48(29-37-13-6-3-7-14-37)61(96)80-50(32-53(69)89)60(95)75-35/h2-9,11-16,18-25,34-35,45-52,57,74,84-85,87-88H,10,17,26-33,72H2,1H3,(H2,69,89)(H,75,95)(H,76,97)(H,77,93)(H,78,94)(H,79,98)(H,80,96)(H,81,99)(H,82,90)(H,83,100)(H,86,101)(H,102,103)(H4,70,71,73)/t35-,45+,46+,47+,48-,49-,50+,51-,52-,57?/m0/s1
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n/an/a 1.03E+4n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibitory concentration towards melanocortin MC4 receptor by displacing radioligand [125I]NDP-MSH

J Med Chem 47: 2194-207 (2004)


Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)		BDBM50144881
PNG
(CHEMBL413465 | Tyr-c[Asp-Trp-Arg-Phe-Asn-Ala-Phe-D...)
Show SMILES C[C@@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)NC(NC(=O)C(=O)[C@@H](Cc2ccccc2)NC1=O)C(=O)NN[C@H](Cc1ccc(O)cc1)C(=O)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NN
Show InChI InChI=1S/C68H80N18O17/c1-35-58(93)77-46(27-36-11-4-2-5-12-36)55(91)65(100)83-57(66(101)86-85-47(56(92)67(102)103)28-38-18-22-41(87)23-19-38)82-54(90)33-51(81-64(99)52(84-72)30-39-20-24-42(88)25-21-39)63(98)79-49(31-40-34-74-44-16-9-8-15-43(40)44)62(97)76-45(17-10-26-73-68(70)71)59(94)78-48(29-37-13-6-3-7-14-37)61(96)80-50(32-53(69)89)60(95)75-35/h2-9,11-16,18-25,34-35,45-52,57,74,84-85,87-88H,10,17,26-33,72H2,1H3,(H2,69,89)(H,75,95)(H,76,97)(H,77,93)(H,78,94)(H,79,98)(H,80,96)(H,81,99)(H,82,90)(H,83,100)(H,86,101)(H,102,103)(H4,70,71,73)/t35-,45+,46+,47+,48-,49-,50+,51-,52-,57?/m0/s1
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n/an/a 7.30E+3n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibitory concentration towards melanocortin MC4 receptor by displacing radioligand [125I]-hAGRP(82-132)

J Med Chem 47: 2194-207 (2004)


Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)		BDBM50144881
PNG
(CHEMBL413465 | Tyr-c[Asp-Trp-Arg-Phe-Asn-Ala-Phe-D...)
Show SMILES C[C@@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)NC(NC(=O)C(=O)[C@@H](Cc2ccccc2)NC1=O)C(=O)NN[C@H](Cc1ccc(O)cc1)C(=O)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NN
Show InChI InChI=1S/C68H80N18O17/c1-35-58(93)77-46(27-36-11-4-2-5-12-36)55(91)65(100)83-57(66(101)86-85-47(56(92)67(102)103)28-38-18-22-41(87)23-19-38)82-54(90)33-51(81-64(99)52(84-72)30-39-20-24-42(88)25-21-39)63(98)79-49(31-40-34-74-44-16-9-8-15-43(40)44)62(97)76-45(17-10-26-73-68(70)71)59(94)78-48(29-37-13-6-3-7-14-37)61(96)80-50(32-53(69)89)60(95)75-35/h2-9,11-16,18-25,34-35,45-52,57,74,84-85,87-88H,10,17,26-33,72H2,1H3,(H2,69,89)(H,75,95)(H,76,97)(H,77,93)(H,78,94)(H,79,98)(H,80,96)(H,81,99)(H,82,90)(H,83,100)(H,86,101)(H,102,103)(H4,70,71,73)/t35-,45+,46+,47+,48-,49-,50+,51-,52-,57?/m0/s1
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n/an/an/an/a 1.35E+4n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Effective concentration against mouse Melanocortin 1 receptor

J Med Chem 47: 2194-207 (2004)


Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0
More data for this
Ligand-Target Pair