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BDBM50134953 CHEMBL410168::H-Tyr-Val-c[Cys-Gly-His-Phe-Arg-Trp-Cys]-Arg-Phe-Gly-NH2

SMILES: CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O

InChI Key: InChIKey=SMAWMSUKCNWJNR-WSRVCNIUSA-N

Data: 3 KI  3 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50134953   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50134953
PNG
(CHEMBL410168 | H-Tyr-Val-c[Cys-Gly-His-Phe-Arg-Trp...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C71H94N22O13S2/c1-39(2)59(93-60(97)47(72)27-42-21-23-45(94)24-22-42)69(106)92-55-36-107-108-37-56(68(105)87-50(20-12-26-80-71(76)77)63(100)88-51(61(98)82-34-57(73)95)28-40-13-5-3-6-14-40)91-66(103)53(30-43-32-81-48-18-10-9-17-46(43)48)90-64(101)49(19-11-25-79-70(74)75)86-65(102)52(29-41-15-7-4-8-16-41)89-67(104)54(31-44-33-78-38-84-44)85-58(96)35-83-62(55)99/h3-10,13-18,21-24,32-33,38-39,47,49-56,59,81,94H,11-12,19-20,25-31,34-37,72H2,1-2H3,(H2,73,95)(H,78,84)(H,82,98)(H,83,99)(H,85,96)(H,86,102)(H,87,105)(H,88,100)(H,89,104)(H,90,101)(H,91,103)(H,92,106)(H,93,97)(H4,74,75,79)(H4,76,77,80)/t47-,49-,50-,51-,52+,53-,54-,55+,56-,59-/m0/s1
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 22n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Melanocortin 4 receptor by gamma-MCH displacement.

J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50134953
PNG
(CHEMBL410168 | H-Tyr-Val-c[Cys-Gly-His-Phe-Arg-Trp...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C71H94N22O13S2/c1-39(2)59(93-60(97)47(72)27-42-21-23-45(94)24-22-42)69(106)92-55-36-107-108-37-56(68(105)87-50(20-12-26-80-71(76)77)63(100)88-51(61(98)82-34-57(73)95)28-40-13-5-3-6-14-40)91-66(103)53(30-43-32-81-48-18-10-9-17-46(43)48)90-64(101)49(19-11-25-79-70(74)75)86-65(102)52(29-41-15-7-4-8-16-41)89-67(104)54(31-44-33-78-38-84-44)85-58(96)35-83-62(55)99/h3-10,13-18,21-24,32-33,38-39,47,49-56,59,81,94H,11-12,19-20,25-31,34-37,72H2,1-2H3,(H2,73,95)(H,78,84)(H,82,98)(H,83,99)(H,85,96)(H,86,102)(H,87,105)(H,88,100)(H,89,104)(H,90,101)(H,91,103)(H,92,106)(H,93,97)(H4,74,75,79)(H4,76,77,80)/t47-,49-,50-,51-,52+,53-,54-,55+,56-,59-/m0/s1
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 68n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against human Melanocortin 3 receptor by gamma-MCH displacement.

J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))		BDBM50134953
PNG
(CHEMBL410168 | H-Tyr-Val-c[Cys-Gly-His-Phe-Arg-Trp...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C71H94N22O13S2/c1-39(2)59(93-60(97)47(72)27-42-21-23-45(94)24-22-42)69(106)92-55-36-107-108-37-56(68(105)87-50(20-12-26-80-71(76)77)63(100)88-51(61(98)82-34-57(73)95)28-40-13-5-3-6-14-40)91-66(103)53(30-43-32-81-48-18-10-9-17-46(43)48)90-64(101)49(19-11-25-79-70(74)75)86-65(102)52(29-41-15-7-4-8-16-41)89-67(104)54(31-44-33-78-38-84-44)85-58(96)35-83-62(55)99/h3-10,13-18,21-24,32-33,38-39,47,49-56,59,81,94H,11-12,19-20,25-31,34-37,72H2,1-2H3,(H2,73,95)(H,78,84)(H,82,98)(H,83,99)(H,85,96)(H,86,102)(H,87,105)(H,88,100)(H,89,104)(H,90,101)(H,91,103)(H,92,106)(H,93,97)(H4,74,75,79)(H4,76,77,80)/t47-,49-,50-,51-,52+,53-,54-,55+,56-,59-/m0/s1
UniProtKB/SwissProt

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CHEMBL
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 210n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against human Melanocortin 5 receptor by gamma-MCH displacement.

J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))		BDBM50134953
PNG
(CHEMBL410168 | H-Tyr-Val-c[Cys-Gly-His-Phe-Arg-Trp...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C71H94N22O13S2/c1-39(2)59(93-60(97)47(72)27-42-21-23-45(94)24-22-42)69(106)92-55-36-107-108-37-56(68(105)87-50(20-12-26-80-71(76)77)63(100)88-51(61(98)82-34-57(73)95)28-40-13-5-3-6-14-40)91-66(103)53(30-43-32-81-48-18-10-9-17-46(43)48)90-64(101)49(19-11-25-79-70(74)75)86-65(102)52(29-41-15-7-4-8-16-41)89-67(104)54(31-44-33-78-38-84-44)85-58(96)35-83-62(55)99/h3-10,13-18,21-24,32-33,38-39,47,49-56,59,81,94H,11-12,19-20,25-31,34-37,72H2,1-2H3,(H2,73,95)(H,78,84)(H,82,98)(H,83,99)(H,85,96)(H,86,102)(H,87,105)(H,88,100)(H,89,104)(H,90,101)(H,91,103)(H,92,106)(H,93,97)(H4,74,75,79)(H4,76,77,80)/t47-,49-,50-,51-,52+,53-,54-,55+,56-,59-/m0/s1
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antibodypedia
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CHEMBL
PC cid
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PubMed
n/an/an/an/a 450n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Intracellular cAMP accumulation in human Melanocortin 5 receptor functional assay.

J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50134953
PNG
(CHEMBL410168 | H-Tyr-Val-c[Cys-Gly-His-Phe-Arg-Trp...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C71H94N22O13S2/c1-39(2)59(93-60(97)47(72)27-42-21-23-45(94)24-22-42)69(106)92-55-36-107-108-37-56(68(105)87-50(20-12-26-80-71(76)77)63(100)88-51(61(98)82-34-57(73)95)28-40-13-5-3-6-14-40)91-66(103)53(30-43-32-81-48-18-10-9-17-46(43)48)90-64(101)49(19-11-25-79-70(74)75)86-65(102)52(29-41-15-7-4-8-16-41)89-67(104)54(31-44-33-78-38-84-44)85-58(96)35-83-62(55)99/h3-10,13-18,21-24,32-33,38-39,47,49-56,59,81,94H,11-12,19-20,25-31,34-37,72H2,1-2H3,(H2,73,95)(H,78,84)(H,82,98)(H,83,99)(H,85,96)(H,86,102)(H,87,105)(H,88,100)(H,89,104)(H,90,101)(H,91,103)(H,92,106)(H,93,97)(H4,74,75,79)(H4,76,77,80)/t47-,49-,50-,51-,52+,53-,54-,55+,56-,59-/m0/s1
UniProtKB/SwissProt

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n/an/an/an/a 36n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Intracellular cAMP accumulation in human Melanocortin 3 receptor functional assay.

J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50134953
PNG
(CHEMBL410168 | H-Tyr-Val-c[Cys-Gly-His-Phe-Arg-Trp...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C71H94N22O13S2/c1-39(2)59(93-60(97)47(72)27-42-21-23-45(94)24-22-42)69(106)92-55-36-107-108-37-56(68(105)87-50(20-12-26-80-71(76)77)63(100)88-51(61(98)82-34-57(73)95)28-40-13-5-3-6-14-40)91-66(103)53(30-43-32-81-48-18-10-9-17-46(43)48)90-64(101)49(19-11-25-79-70(74)75)86-65(102)52(29-41-15-7-4-8-16-41)89-67(104)54(31-44-33-78-38-84-44)85-58(96)35-83-62(55)99/h3-10,13-18,21-24,32-33,38-39,47,49-56,59,81,94H,11-12,19-20,25-31,34-37,72H2,1-2H3,(H2,73,95)(H,78,84)(H,82,98)(H,83,99)(H,85,96)(H,86,102)(H,87,105)(H,88,100)(H,89,104)(H,90,101)(H,91,103)(H,92,106)(H,93,97)(H4,74,75,79)(H4,76,77,80)/t47-,49-,50-,51-,52+,53-,54-,55+,56-,59-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 9n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Intracellular cAMP accumulation in Melanocortin 4 receptor functional assay.

J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair