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BDBM50031497 CHEMBL3358534

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

InChI Key: InChIKey=ODNNSKWWOYPWAO-PMHRFVFWSA-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 = 50031497   
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))
BDBM50031497
PNG
(CHEMBL3358534)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=[N+]=[N-])C(N)=O |r|
Show InChI InChI=1S/C51H73N17O8/c1-4-6-18-38(61-31(3)69)45(71)63-39(19-7-5-2)46(72)67-43(27-34-29-56-30-59-34)50(76)65-41(25-32-15-9-8-10-16-32)48(74)64-40(22-13-23-57-51(53)54)47(73)66-42(26-33-28-58-36-20-12-11-17-35(33)36)49(75)62-37(44(52)70)21-14-24-60-68-55/h8-12,15-17,20,28-30,37-43,58H,4-7,13-14,18-19,21-27H2,1-3H3,(H2,52,70)(H,56,59)(H,61,69)(H,62,75)(H,63,71)(H,64,74)(H,65,76)(H,66,73)(H,67,72)(H4,53,54,57)/t37-,38-,39-,40-,41+,42-,43-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 5.30n/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 1


(Mus musculus)
BDBM50031497
PNG
(CHEMBL3358534)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=[N+]=[N-])C(N)=O |r|
Show InChI InChI=1S/C51H73N17O8/c1-4-6-18-38(61-31(3)69)45(71)63-39(19-7-5-2)46(72)67-43(27-34-29-56-30-59-34)50(76)65-41(25-32-15-9-8-10-16-32)48(74)64-40(22-13-23-57-51(53)54)47(73)66-42(26-33-28-58-36-20-12-11-17-35(33)36)49(75)62-37(44(52)70)21-14-24-60-68-55/h8-12,15-17,20,28-30,37-43,58H,4-7,13-14,18-19,21-27H2,1-3H3,(H2,52,70)(H,56,59)(H,61,69)(H,62,75)(H,63,71)(H,64,74)(H,65,76)(H,66,73)(H,67,72)(H4,53,54,57)/t37-,38-,39-,40-,41+,42-,43-/m0/s1
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.720n/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 3


(Mus musculus)
BDBM50031497
PNG
(CHEMBL3358534)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=[N+]=[N-])C(N)=O |r|
Show InChI InChI=1S/C51H73N17O8/c1-4-6-18-38(61-31(3)69)45(71)63-39(19-7-5-2)46(72)67-43(27-34-29-56-30-59-34)50(76)65-41(25-32-15-9-8-10-16-32)48(74)64-40(22-13-23-57-51(53)54)47(73)66-42(26-33-28-58-36-20-12-11-17-35(33)36)49(75)62-37(44(52)70)21-14-24-60-68-55/h8-12,15-17,20,28-30,37-43,58H,4-7,13-14,18-19,21-27H2,1-3H3,(H2,52,70)(H,56,59)(H,61,69)(H,62,75)(H,63,71)(H,64,74)(H,65,76)(H,66,73)(H,67,72)(H4,53,54,57)/t37-,38-,39-,40-,41+,42-,43-/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 3.30n/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 4


(Mus musculus)
BDBM50031497
PNG
(CHEMBL3358534)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=[N+]=[N-])C(N)=O |r|
Show InChI InChI=1S/C51H73N17O8/c1-4-6-18-38(61-31(3)69)45(71)63-39(19-7-5-2)46(72)67-43(27-34-29-56-30-59-34)50(76)65-41(25-32-15-9-8-10-16-32)48(74)64-40(22-13-23-57-51(53)54)47(73)66-42(26-33-28-58-36-20-12-11-17-35(33)36)49(75)62-37(44(52)70)21-14-24-60-68-55/h8-12,15-17,20,28-30,37-43,58H,4-7,13-14,18-19,21-27H2,1-3H3,(H2,52,70)(H,56,59)(H,61,69)(H,62,75)(H,63,71)(H,64,74)(H,65,76)(H,66,73)(H,67,72)(H4,53,54,57)/t37-,38-,39-,40-,41+,42-,43-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.20n/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