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BDBM50105882 CHEMBL2370533::Cyclo Ac-Cys-Glu-His-D-Phe-(3,4-di-Cl)-Arg-Trp-Gly-Cys-Pro-Pro-Lys-Asp-NH2

SMILES: CC(=O)N[C@@H]1CSSC[C@H](NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(O)=O

InChI Key: InChIKey=PIHBUAVCWXDWIB-VZQKFNSXSA-N

Data: 3 KI  1 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 4 hits for monomerid = 50105882   
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 5 (MC5R)


(Homo sapiens (Human))
BDBM50105882
PNG
(CHEMBL2370533 | Cyclo Ac-Cys-Glu-His-D-Phe-(3,4-di...)
Show SMILES CC(=O)N[C@@H]1CSSC[C@H](NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(O)=O
Show InChI InChI=1S/C66H89Cl2N19O16S2/c1-34(88)78-49-31-104-105-32-50(64(102)87-22-8-14-52(87)65(103)86-21-7-13-51(86)56(94)43(11-4-5-19-69)80-57(95)41(70)27-55(92)93)79-53(89)30-76-58(96)47(25-36-28-75-42-10-3-2-9-38(36)42)84-59(97)44(12-6-20-74-66(71)72)81-61(99)46(24-35-15-16-39(67)40(68)23-35)83-62(100)48(26-37-29-73-33-77-37)85-60(98)45(82-63(49)101)17-18-54(90)91/h2-3,9-10,15-16,23,28-29,33,41,43-52,75H,4-8,11-14,17-22,24-27,30-32,69-70H2,1H3,(H,73,77)(H,76,96)(H,78,88)(H,79,89)(H,80,95)(H,81,99)(H,82,101)(H,83,100)(H,84,97)(H,85,98)(H,90,91)(H,92,93)(H4,71,72,74)/t41?,43?,44-,45+,46-,47+,48-,49+,50-,51?,52?/m0/s1
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 73n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Increase in intracellular cAMP in CHO cells expressing human melanocortin receptor 5.


J Med Chem 44: 3665-72 (2001)


Article DOI: 10.1021/jm010165y
BindingDB Entry DOI: 10.7270/Q2RF5T9S
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50105882
PNG
(CHEMBL2370533 | Cyclo Ac-Cys-Glu-His-D-Phe-(3,4-di...)
Show SMILES CC(=O)N[C@@H]1CSSC[C@H](NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(O)=O
Show InChI InChI=1S/C66H89Cl2N19O16S2/c1-34(88)78-49-31-104-105-32-50(64(102)87-22-8-14-52(87)65(103)86-21-7-13-51(86)56(94)43(11-4-5-19-69)80-57(95)41(70)27-55(92)93)79-53(89)30-76-58(96)47(25-36-28-75-42-10-3-2-9-38(36)42)84-59(97)44(12-6-20-74-66(71)72)81-61(99)46(24-35-15-16-39(67)40(68)23-35)83-62(100)48(26-37-29-73-33-77-37)85-60(98)45(82-63(49)101)17-18-54(90)91/h2-3,9-10,15-16,23,28-29,33,41,43-52,75H,4-8,11-14,17-22,24-27,30-32,69-70H2,1H3,(H,73,77)(H,76,96)(H,78,88)(H,79,89)(H,80,95)(H,81,99)(H,82,101)(H,83,100)(H,84,97)(H,85,98)(H,90,91)(H,92,93)(H4,71,72,74)/t41?,43?,44-,45+,46-,47+,48-,49+,50-,51?,52?/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
22n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human melanocortin receptor 5 (hMC5R) (concentration of the peptide at 50% specific binding)


J Med Chem 44: 3665-72 (2001)


Article DOI: 10.1021/jm010165y
BindingDB Entry DOI: 10.7270/Q2RF5T9S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50105882
PNG
(CHEMBL2370533 | Cyclo Ac-Cys-Glu-His-D-Phe-(3,4-di...)
Show SMILES CC(=O)N[C@@H]1CSSC[C@H](NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(O)=O
Show InChI InChI=1S/C66H89Cl2N19O16S2/c1-34(88)78-49-31-104-105-32-50(64(102)87-22-8-14-52(87)65(103)86-21-7-13-51(86)56(94)43(11-4-5-19-69)80-57(95)41(70)27-55(92)93)79-53(89)30-76-58(96)47(25-36-28-75-42-10-3-2-9-38(36)42)84-59(97)44(12-6-20-74-66(71)72)81-61(99)46(24-35-15-16-39(67)40(68)23-35)83-62(100)48(26-37-29-73-33-77-37)85-60(98)45(82-63(49)101)17-18-54(90)91/h2-3,9-10,15-16,23,28-29,33,41,43-52,75H,4-8,11-14,17-22,24-27,30-32,69-70H2,1H3,(H,73,77)(H,76,96)(H,78,88)(H,79,89)(H,80,95)(H,81,99)(H,82,101)(H,83,100)(H,84,97)(H,85,98)(H,90,91)(H,92,93)(H4,71,72,74)/t41?,43?,44-,45+,46-,47+,48-,49+,50-,51?,52?/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human melanocortin receptor 4 (hMC4R) (concentration of the peptide at 50% specific binding)


J Med Chem 44: 3665-72 (2001)


Article DOI: 10.1021/jm010165y
BindingDB Entry DOI: 10.7270/Q2RF5T9S
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50105882
PNG
(CHEMBL2370533 | Cyclo Ac-Cys-Glu-His-D-Phe-(3,4-di...)
Show SMILES CC(=O)N[C@@H]1CSSC[C@H](NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(O)=O
Show InChI InChI=1S/C66H89Cl2N19O16S2/c1-34(88)78-49-31-104-105-32-50(64(102)87-22-8-14-52(87)65(103)86-21-7-13-51(86)56(94)43(11-4-5-19-69)80-57(95)41(70)27-55(92)93)79-53(89)30-76-58(96)47(25-36-28-75-42-10-3-2-9-38(36)42)84-59(97)44(12-6-20-74-66(71)72)81-61(99)46(24-35-15-16-39(67)40(68)23-35)83-62(100)48(26-37-29-73-33-77-37)85-60(98)45(82-63(49)101)17-18-54(90)91/h2-3,9-10,15-16,23,28-29,33,41,43-52,75H,4-8,11-14,17-22,24-27,30-32,69-70H2,1H3,(H,73,77)(H,76,96)(H,78,88)(H,79,89)(H,80,95)(H,81,99)(H,82,101)(H,83,100)(H,84,97)(H,85,98)(H,90,91)(H,92,93)(H4,71,72,74)/t41?,43?,44-,45+,46-,47+,48-,49+,50-,51?,52?/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human melanocortin receptor 3 (hMC3R) (concentration of the peptide at 50% specific binding)


J Med Chem 44: 3665-72 (2001)


Article DOI: 10.1021/jm010165y
BindingDB Entry DOI: 10.7270/Q2RF5T9S
More data for this
Ligand-Target Pair