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

InChI Key: InChIKey=OKOCHODOEYLAGS-IYYUMRKJSA-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 = 50144883   
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)
BDBM50144883
PNG
((3S)-4-(4-hydroxyphenyl)-2-oxo-3-{[(6S,9R,12S,15S,...)
Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CSSSSC[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NN
Show InChI InChI=1S/C65H80N16O14S4/c1-36-56(87)75-46(29-37-12-5-2-6-13-37)61(92)79-52(64(95)74-45(54(85)55(67)86)28-40-19-23-42(82)24-20-40)35-97-99-98-96-34-51(80-62(93)50(81-70)32-41-21-25-43(83)26-22-41)63(94)73-44(18-11-27-71-65(68)69)57(88)76-47(30-38-14-7-3-8-15-38)59(90)77-48(31-39-16-9-4-10-17-39)60(91)78-49(33-53(66)84)58(89)72-36/h2-10,12-17,19-26,36,44-52,81-83H,11,18,27-35,70H2,1H3,(H2,66,84)(H2,67,86)(H,72,89)(H,73,94)(H,74,95)(H,75,87)(H,76,88)(H,77,90)(H,78,91)(H,79,92)(H,80,93)(H4,68,69,71)/t36-,44+,45-,46+,47-,48+,49-,50-,51+,52+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 5.12E+3n/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 4


(Mus musculus)
BDBM50144883
PNG
((3S)-4-(4-hydroxyphenyl)-2-oxo-3-{[(6S,9R,12S,15S,...)
Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CSSSSC[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NN
Show InChI InChI=1S/C65H80N16O14S4/c1-36-56(87)75-46(29-37-12-5-2-6-13-37)61(92)79-52(64(95)74-45(54(85)55(67)86)28-40-19-23-42(82)24-20-40)35-97-99-98-96-34-51(80-62(93)50(81-70)32-41-21-25-43(83)26-22-41)63(94)73-44(18-11-27-71-65(68)69)57(88)76-47(30-38-14-7-3-8-15-38)59(90)77-48(31-39-16-9-4-10-17-39)60(91)78-49(33-53(66)84)58(89)72-36/h2-10,12-17,19-26,36,44-52,81-83H,11,18,27-35,70H2,1H3,(H2,66,84)(H2,67,86)(H,72,89)(H,73,94)(H,74,95)(H,75,87)(H,76,88)(H,77,90)(H,78,91)(H,79,92)(H,80,93)(H4,68,69,71)/t36-,44+,45-,46+,47-,48+,49-,50-,51+,52+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 158n/an/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))
BDBM50144883
PNG
((3S)-4-(4-hydroxyphenyl)-2-oxo-3-{[(6S,9R,12S,15S,...)
Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CSSSSC[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NN
Show InChI InChI=1S/C65H80N16O14S4/c1-36-56(87)75-46(29-37-12-5-2-6-13-37)61(92)79-52(64(95)74-45(54(85)55(67)86)28-40-19-23-42(82)24-20-40)35-97-99-98-96-34-51(80-62(93)50(81-70)32-41-21-25-43(83)26-22-41)63(94)73-44(18-11-27-71-65(68)69)57(88)76-47(30-38-14-7-3-8-15-38)59(90)77-48(31-39-16-9-4-10-17-39)60(91)78-49(33-53(66)84)58(89)72-36/h2-10,12-17,19-26,36,44-52,81-83H,11,18,27-35,70H2,1H3,(H2,66,84)(H2,67,86)(H,72,89)(H,73,94)(H,74,95)(H,75,87)(H,76,88)(H,77,90)(H,78,91)(H,79,92)(H,80,93)(H4,68,69,71)/t36-,44+,45-,46+,47-,48+,49-,50-,51+,52+/m0/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
Melanocortin receptor 3


(Mus musculus)
BDBM50144883
PNG
((3S)-4-(4-hydroxyphenyl)-2-oxo-3-{[(6S,9R,12S,15S,...)
Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CSSSSC[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NN
Show InChI InChI=1S/C65H80N16O14S4/c1-36-56(87)75-46(29-37-12-5-2-6-13-37)61(92)79-52(64(95)74-45(54(85)55(67)86)28-40-19-23-42(82)24-20-40)35-97-99-98-96-34-51(80-62(93)50(81-70)32-41-21-25-43(83)26-22-41)63(94)73-44(18-11-27-71-65(68)69)57(88)76-47(30-38-14-7-3-8-15-38)59(90)77-48(31-39-16-9-4-10-17-39)60(91)78-49(33-53(66)84)58(89)72-36/h2-10,12-17,19-26,36,44-52,81-83H,11,18,27-35,70H2,1H3,(H2,66,84)(H2,67,86)(H,72,89)(H,73,94)(H,74,95)(H,75,87)(H,76,88)(H,77,90)(H,78,91)(H,79,92)(H,80,93)(H4,68,69,71)/t36-,44+,45-,46+,47-,48+,49-,50-,51+,52+/m0/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