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SMILES: CNC(=O)C[C@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)NCC(NC(=O)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O)C(=O)NC(Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NN

InChI Key: InChIKey=YUHAAKMAZYVMDB-ROAFZXINSA-N

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 = 50144872   
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
Melanocyte-stimulating hormone receptor


(Mus musculus)
BDBM50144872
PNG
(CHEMBL384224 | Tyr-c[Asp-Ala-Ala-Ala-Asn-Ala-Phe-D...)
Show SMILES CNC(=O)C[C@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)NCC(NC(=O)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O)C(=O)NC(Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NN
Show InChI InChI=1S/C52H68N14O15/c1-25-44(73)58-27(3)47(76)63-36(22-40(69)55-5)48(77)60-28(4)46(75)61-34(19-29-9-7-6-8-10-29)42(71)52(81)65-39(51(80)62-35(43(53)72)20-30-11-15-32(67)16-12-30)24-56-41(70)23-37(49(78)59-26(2)45(74)57-25)64-50(79)38(66-54)21-31-13-17-33(68)18-14-31/h6-18,25-28,34-39,66-68H,19-24,54H2,1-5H3,(H2,53,72)(H,55,69)(H,56,70)(H,57,74)(H,58,73)(H,59,78)(H,60,77)(H,61,75)(H,62,80)(H,63,76)(H,64,79)(H,65,81)/t25-,26+,27+,28+,34-,35?,36-,37+,38+,39?/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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 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
Melanocortin receptor 3


(Mus musculus)
BDBM50144872
PNG
(CHEMBL384224 | Tyr-c[Asp-Ala-Ala-Ala-Asn-Ala-Phe-D...)
Show SMILES CNC(=O)C[C@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)NCC(NC(=O)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O)C(=O)NC(Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NN
Show InChI InChI=1S/C52H68N14O15/c1-25-44(73)58-27(3)47(76)63-36(22-40(69)55-5)48(77)60-28(4)46(75)61-34(19-29-9-7-6-8-10-29)42(71)52(81)65-39(51(80)62-35(43(53)72)20-30-11-15-32(67)16-12-30)24-56-41(70)23-37(49(78)59-26(2)45(74)57-25)64-50(79)38(66-54)21-31-13-17-33(68)18-14-31/h6-18,25-28,34-39,66-68H,19-24,54H2,1-5H3,(H2,53,72)(H,55,69)(H,56,70)(H,57,74)(H,58,73)(H,59,78)(H,60,77)(H,61,75)(H,62,80)(H,63,76)(H,64,79)(H,65,81)/t25-,26+,27+,28+,34-,35?,36-,37+,38+,39?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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)
BDBM50144872
PNG
(CHEMBL384224 | Tyr-c[Asp-Ala-Ala-Ala-Asn-Ala-Phe-D...)
Show SMILES CNC(=O)C[C@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)NCC(NC(=O)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O)C(=O)NC(Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NN
Show InChI InChI=1S/C52H68N14O15/c1-25-44(73)58-27(3)47(76)63-36(22-40(69)55-5)48(77)60-28(4)46(75)61-34(19-29-9-7-6-8-10-29)42(71)52(81)65-39(51(80)62-35(43(53)72)20-30-11-15-32(67)16-12-30)24-56-41(70)23-37(49(78)59-26(2)45(74)57-25)64-50(79)38(66-54)21-31-13-17-33(68)18-14-31/h6-18,25-28,34-39,66-68H,19-24,54H2,1-5H3,(H2,53,72)(H,55,69)(H,56,70)(H,57,74)(H,58,73)(H,59,78)(H,60,77)(H,61,75)(H,62,80)(H,63,76)(H,64,79)(H,65,81)/t25-,26+,27+,28+,34-,35?,36-,37+,38+,39?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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 MC4 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 5


(Mus musculus (Mouse))
BDBM50144872
PNG
(CHEMBL384224 | Tyr-c[Asp-Ala-Ala-Ala-Asn-Ala-Phe-D...)
Show SMILES CNC(=O)C[C@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)NCC(NC(=O)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O)C(=O)NC(Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NN
Show InChI InChI=1S/C52H68N14O15/c1-25-44(73)58-27(3)47(76)63-36(22-40(69)55-5)48(77)60-28(4)46(75)61-34(19-29-9-7-6-8-10-29)42(71)52(81)65-39(51(80)62-35(43(53)72)20-30-11-15-32(67)16-12-30)24-56-41(70)23-37(49(78)59-26(2)45(74)57-25)64-50(79)38(66-54)21-31-13-17-33(68)18-14-31/h6-18,25-28,34-39,66-68H,19-24,54H2,1-5H3,(H2,53,72)(H,55,69)(H,56,70)(H,57,74)(H,58,73)(H,59,78)(H,60,77)(H,61,75)(H,62,80)(H,63,76)(H,64,79)(H,65,81)/t25-,26+,27+,28+,34-,35?,36-,37+,38+,39?/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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