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BDBM50031488 CHEMBL3358541

SMILES: CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCN=[N+]=[N-])NC(=O)[C@H](CCCC)NC(C)=O)C(N)=O

InChI Key: InChIKey=NMYXFCWJVYVJBL-HYMKCURUNA-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 = 50031488   
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)


(Mus musculus (Mouse))
BDBM50031488
PNG
(CHEMBL3358541)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCN=[N+]=[N-])NC(=O)[C@H](CCCC)NC(C)=O)C(N)=O |r|
Show InChI InChI=1/C50H71N17O8/c1-4-6-17-36(43(51)69)61-48(74)41(25-32-27-57-35-19-12-11-16-34(32)35)65-45(71)38(20-13-22-56-50(52)53)62-47(73)40(24-31-14-9-8-10-15-31)64-49(75)42(26-33-28-55-29-58-33)66-46(72)39(21-23-59-67-54)63-44(70)37(18-7-5-2)60-30(3)68/h8-12,14-16,19,27-29,36-42,57H,4-7,13,17-18,20-26H2,1-3H3,(H2,51,69)(H,55,58)(H,60,68)(H,61,74)(H,62,73)(H,63,70)(H,64,75)(H,65,71)(H,66,72)(H4,52,53,56)/t36-,37-,38-,39-,40+,41-,42-/s2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.0510n/an/an/an/a



University of Cergy-Pontoise

Curated by ChEMBL


Assay Description
Activity at mouse MC5R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay


J Med Chem 57: 9424-34 (2014)


Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50031488
PNG
(CHEMBL3358541)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCN=[N+]=[N-])NC(=O)[C@H](CCCC)NC(C)=O)C(N)=O |r|
Show InChI InChI=1/C50H71N17O8/c1-4-6-17-36(43(51)69)61-48(74)41(25-32-27-57-35-19-12-11-16-34(32)35)65-45(71)38(20-13-22-56-50(52)53)62-47(73)40(24-31-14-9-8-10-15-31)64-49(75)42(26-33-28-55-29-58-33)66-46(72)39(21-23-59-67-54)63-44(70)37(18-7-5-2)60-30(3)68/h8-12,14-16,19,27-29,36-42,57H,4-7,13,17-18,20-26H2,1-3H3,(H2,51,69)(H,55,58)(H,60,68)(H,61,74)(H,62,73)(H,63,70)(H,64,75)(H,65,71)(H,66,72)(H4,52,53,56)/t36-,37-,38-,39-,40+,41-,42-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.440n/an/an/an/a



University of Cergy-Pontoise

Curated by ChEMBL


Assay Description
Activity at mouse MC3R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay


J Med Chem 57: 9424-34 (2014)


Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50031488
PNG
(CHEMBL3358541)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCN=[N+]=[N-])NC(=O)[C@H](CCCC)NC(C)=O)C(N)=O |r|
Show InChI InChI=1/C50H71N17O8/c1-4-6-17-36(43(51)69)61-48(74)41(25-32-27-57-35-19-12-11-16-34(32)35)65-45(71)38(20-13-22-56-50(52)53)62-47(73)40(24-31-14-9-8-10-15-31)64-49(75)42(26-33-28-55-29-58-33)66-46(72)39(21-23-59-67-54)63-44(70)37(18-7-5-2)60-30(3)68/h8-12,14-16,19,27-29,36-42,57H,4-7,13,17-18,20-26H2,1-3H3,(H2,51,69)(H,55,58)(H,60,68)(H,61,74)(H,62,73)(H,63,70)(H,64,75)(H,65,71)(H,66,72)(H4,52,53,56)/t36-,37-,38-,39-,40+,41-,42-/s2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.25n/an/an/an/a



University of Cergy-Pontoise

Curated by ChEMBL


Assay Description
Activity at mouse MC1R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay


J Med Chem 57: 9424-34 (2014)


Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50031488
PNG
(CHEMBL3358541)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCN=[N+]=[N-])NC(=O)[C@H](CCCC)NC(C)=O)C(N)=O |r|
Show InChI InChI=1/C50H71N17O8/c1-4-6-17-36(43(51)69)61-48(74)41(25-32-27-57-35-19-12-11-16-34(32)35)65-45(71)38(20-13-22-56-50(52)53)62-47(73)40(24-31-14-9-8-10-15-31)64-49(75)42(26-33-28-55-29-58-33)66-46(72)39(21-23-59-67-54)63-44(70)37(18-7-5-2)60-30(3)68/h8-12,14-16,19,27-29,36-42,57H,4-7,13,17-18,20-26H2,1-3H3,(H2,51,69)(H,55,58)(H,60,68)(H,61,74)(H,62,73)(H,63,70)(H,64,75)(H,65,71)(H,66,72)(H4,52,53,56)/t36-,37-,38-,39-,40+,41-,42-/s2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.0580n/an/an/an/a



University of Cergy-Pontoise

Curated by ChEMBL


Assay Description
Activity at mouse MC4R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay


J Med Chem 57: 9424-34 (2014)


Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT
More data for this
Ligand-Target Pair