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BDBM50410408 CHEMBL2096713

SMILES: C[C@@H]1NC(=O)[C@H](CC(N)=O)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)[C@H](CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)C(C)(NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1

InChI Key: InChIKey=VQYHLIUSSLKEAO-OTUSEEPMSA-N

Data: 4 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 = 50410408   
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)
BDBM50410408
PNG
(CHEMBL2096713)
Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)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)[C@H](CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)C(C)(NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C73H87N19O16/c1-39-62(98)85-53(30-41-14-7-4-8-15-41)70(106)91-73(2,71(107)108)92(58(61(76)97)31-43-21-25-47(94)26-22-43)60(96)35-57(86-63(99)49(74)28-42-19-23-46(93)24-20-42)69(105)89-55(33-45-37-79-38-82-45)68(104)87-52(29-40-12-5-3-6-13-40)66(102)84-51(18-11-27-80-72(77)78)64(100)88-54(32-44-36-81-50-17-10-9-16-48(44)50)67(103)90-56(34-59(75)95)65(101)83-39/h3-10,12-17,19-26,36-39,49,51-58,81,93-94H,11,18,27-35,74H2,1-2H3,(H2,75,95)(H2,76,97)(H,79,82)(H,83,101)(H,84,102)(H,85,98)(H,86,99)(H,87,104)(H,88,100)(H,89,105)(H,90,103)(H,91,106)(H,107,108)(H4,77,78,80)/t39-,49-,51-,52+,53-,54-,55-,56-,57-,58-,73?/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.970n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Effective concentration for mouse Melanocortin-3 receptor


J Med Chem 48: 3060-75 (2005)


Article DOI: 10.1021/jm049010r
BindingDB Entry DOI: 10.7270/Q2PR7WS4
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50410408
PNG
(CHEMBL2096713)
Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)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)[C@H](CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)C(C)(NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C73H87N19O16/c1-39-62(98)85-53(30-41-14-7-4-8-15-41)70(106)91-73(2,71(107)108)92(58(61(76)97)31-43-21-25-47(94)26-22-43)60(96)35-57(86-63(99)49(74)28-42-19-23-46(93)24-20-42)69(105)89-55(33-45-37-79-38-82-45)68(104)87-52(29-40-12-5-3-6-13-40)66(102)84-51(18-11-27-80-72(77)78)64(100)88-54(32-44-36-81-50-17-10-9-16-48(44)50)67(103)90-56(34-59(75)95)65(101)83-39/h3-10,12-17,19-26,36-39,49,51-58,81,93-94H,11,18,27-35,74H2,1-2H3,(H2,75,95)(H2,76,97)(H,79,82)(H,83,101)(H,84,102)(H,85,98)(H,86,99)(H,87,104)(H,88,100)(H,89,105)(H,90,103)(H,91,106)(H,107,108)(H4,77,78,80)/t39-,49-,51-,52+,53-,54-,55-,56-,57-,58-,73?/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.370n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Effective concentration for mouse Melanocortin-5 receptor


J Med Chem 48: 3060-75 (2005)


Article DOI: 10.1021/jm049010r
BindingDB Entry DOI: 10.7270/Q2PR7WS4
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50410408
PNG
(CHEMBL2096713)
Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)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)[C@H](CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)C(C)(NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C73H87N19O16/c1-39-62(98)85-53(30-41-14-7-4-8-15-41)70(106)91-73(2,71(107)108)92(58(61(76)97)31-43-21-25-47(94)26-22-43)60(96)35-57(86-63(99)49(74)28-42-19-23-46(93)24-20-42)69(105)89-55(33-45-37-79-38-82-45)68(104)87-52(29-40-12-5-3-6-13-40)66(102)84-51(18-11-27-80-72(77)78)64(100)88-54(32-44-36-81-50-17-10-9-16-48(44)50)67(103)90-56(34-59(75)95)65(101)83-39/h3-10,12-17,19-26,36-39,49,51-58,81,93-94H,11,18,27-35,74H2,1-2H3,(H2,75,95)(H2,76,97)(H,79,82)(H,83,101)(H,84,102)(H,85,98)(H,86,99)(H,87,104)(H,88,100)(H,89,105)(H,90,103)(H,91,106)(H,107,108)(H4,77,78,80)/t39-,49-,51-,52+,53-,54-,55-,56-,57-,58-,73?/m0/s1
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.220n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Effective concentration for mouse Melanocortin-1 receptor


J Med Chem 48: 3060-75 (2005)


Article DOI: 10.1021/jm049010r
BindingDB Entry DOI: 10.7270/Q2PR7WS4
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50410408
PNG
(CHEMBL2096713)
Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)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)[C@H](CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)C(C)(NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C73H87N19O16/c1-39-62(98)85-53(30-41-14-7-4-8-15-41)70(106)91-73(2,71(107)108)92(58(61(76)97)31-43-21-25-47(94)26-22-43)60(96)35-57(86-63(99)49(74)28-42-19-23-46(93)24-20-42)69(105)89-55(33-45-37-79-38-82-45)68(104)87-52(29-40-12-5-3-6-13-40)66(102)84-51(18-11-27-80-72(77)78)64(100)88-54(32-44-36-81-50-17-10-9-16-48(44)50)67(103)90-56(34-59(75)95)65(101)83-39/h3-10,12-17,19-26,36-39,49,51-58,81,93-94H,11,18,27-35,74H2,1-2H3,(H2,75,95)(H2,76,97)(H,79,82)(H,83,101)(H,84,102)(H,85,98)(H,86,99)(H,87,104)(H,88,100)(H,89,105)(H,90,103)(H,91,106)(H,107,108)(H4,77,78,80)/t39-,49-,51-,52+,53-,54-,55-,56-,57-,58-,73?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.130n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Effective concentration for mouse Melanocortin-4 receptor


J Med Chem 48: 3060-75 (2005)


Article DOI: 10.1021/jm049010r
BindingDB Entry DOI: 10.7270/Q2PR7WS4
More data for this
Ligand-Target Pair