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BDBM50017138 CHEMBL3287060

SMILES: CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O

InChI Key: InChIKey=IMZZWIWCQOUALL-RTNMLALUSA-N

Data: 5 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 5 hits for monomerid = 50017138   
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))
BDBM50017138
PNG
(CHEMBL3287060)
Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C37H45N9O6/c1-22(47)43-31(19-24-13-15-26(48)16-14-24)35(51)46-32(18-23-8-3-2-4-9-23)36(52)44-29(12-7-17-41-37(39)40)34(50)45-30(33(38)49)20-25-21-42-28-11-6-5-10-27(25)28/h2-6,8-11,13-16,21,29-32,42,48H,7,12,17-20H2,1H3,(H2,38,49)(H,43,47)(H,44,52)(H,45,50)(H,46,51)(H4,39,40,41)/t29-,30-,31-,32+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 6.20n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50017138
PNG
(CHEMBL3287060)
Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C37H45N9O6/c1-22(47)43-31(19-24-13-15-26(48)16-14-24)35(51)46-32(18-23-8-3-2-4-9-23)36(52)44-29(12-7-17-41-37(39)40)34(50)45-30(33(38)49)20-25-21-42-28-11-6-5-10-27(25)28/h2-6,8-11,13-16,21,29-32,42,48H,7,12,17-20H2,1H3,(H2,38,49)(H,43,47)(H,44,52)(H,45,50)(H,46,51)(H4,39,40,41)/t29-,30-,31-,32+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 90n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin receptor 4 expressed in HEK293 cells assessed as stimulation of cAMP accumulation incubated for 2 hrs by cAMP ...


ACS Med Chem Lett 11: 272-277 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00198
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Mus musculus (Mouse))
BDBM50017138
PNG
(CHEMBL3287060)
Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C37H45N9O6/c1-22(47)43-31(19-24-13-15-26(48)16-14-24)35(51)46-32(18-23-8-3-2-4-9-23)36(52)44-29(12-7-17-41-37(39)40)34(50)45-30(33(38)49)20-25-21-42-28-11-6-5-10-27(25)28/h2-6,8-11,13-16,21,29-32,42,48H,7,12,17-20H2,1H3,(H2,38,49)(H,43,47)(H,44,52)(H,45,50)(H,46,51)(H4,39,40,41)/t29-,30-,31-,32+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 400n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin receptor 5 expressed in HEK293 cells assessed as stimulation of cAMP accumulation incubated for 2 hrs by cAMP ...


ACS Med Chem Lett 11: 272-277 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00198
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50017138
PNG
(CHEMBL3287060)
Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C37H45N9O6/c1-22(47)43-31(19-24-13-15-26(48)16-14-24)35(51)46-32(18-23-8-3-2-4-9-23)36(52)44-29(12-7-17-41-37(39)40)34(50)45-30(33(38)49)20-25-21-42-28-11-6-5-10-27(25)28/h2-6,8-11,13-16,21,29-32,42,48H,7,12,17-20H2,1H3,(H2,38,49)(H,43,47)(H,44,52)(H,45,50)(H,46,51)(H4,39,40,41)/t29-,30-,31-,32+/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 3.00E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin receptor 3 expressed in HEK293 cells assessed as stimulation of cAMP accumulation incubated for 2 hrs by cAMP ...


ACS Med Chem Lett 11: 272-277 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00198
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50017138
PNG
(CHEMBL3287060)
Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C37H45N9O6/c1-22(47)43-31(19-24-13-15-26(48)16-14-24)35(51)46-32(18-23-8-3-2-4-9-23)36(52)44-29(12-7-17-41-37(39)40)34(50)45-30(33(38)49)20-25-21-42-28-11-6-5-10-27(25)28/h2-6,8-11,13-16,21,29-32,42,48H,7,12,17-20H2,1H3,(H2,38,49)(H,43,47)(H,44,52)(H,45,50)(H,46,51)(H4,39,40,41)/t29-,30-,31-,32+/m0/s1
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.20E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin receptor 1 expressed in HEK293 cells assessed as stimulation of cAMP accumulation incubated for 2 hrs by cAMP ...


ACS Med Chem Lett 11: 272-277 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00198
More data for this
Ligand-Target Pair