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BDBM50080582 CHEMBL3422428

SMILES: CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O

InChI Key: InChIKey=NXFNNHLGYYKVIN-YJJKETEDNA-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 = 50080582   
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))
BDBM50080582
PNG
(CHEMBL3422428)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O |r|
Show InChI InChI=1/C43H48IN9O5/c1-26(54)50-38(24-31-25-49-34-11-6-5-10-33(31)34)42(58)53-37(23-28-15-19-32(44)20-16-28)41(57)51-35(12-7-21-48-43(46)47)40(56)52-36(39(45)55)22-27-13-17-30(18-14-27)29-8-3-2-4-9-29/h2-6,8-11,13-20,25,35-38,49H,7,12,21-24H2,1H3,(H2,45,55)(H,50,54)(H,51,57)(H,52,56)(H,53,58)(H4,46,47,48)/t35-,36-,37+,38-/s2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 7.80E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-5 receptor transfected in HEK293 cells after 6 hrs by beta-galactosidase reporter gene assay


ACS Med Chem Lett 6: 123-7 (2015)


Article DOI: 10.1021/ml500340z
BindingDB Entry DOI: 10.7270/Q2NC62W2
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50080582
PNG
(CHEMBL3422428)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O |r|
Show InChI InChI=1/C43H48IN9O5/c1-26(54)50-38(24-31-25-49-34-11-6-5-10-33(31)34)42(58)53-37(23-28-15-19-32(44)20-16-28)41(57)51-35(12-7-21-48-43(46)47)40(56)52-36(39(45)55)22-27-13-17-30(18-14-27)29-8-3-2-4-9-29/h2-6,8-11,13-20,25,35-38,49H,7,12,21-24H2,1H3,(H2,45,55)(H,50,54)(H,51,57)(H,52,56)(H,53,58)(H4,46,47,48)/t35-,36-,37+,38-/s2
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 Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-4 receptor transfected in HEK293 cells after 6 hrs by beta-galactosidase reporter gene assay


ACS Med Chem Lett 6: 123-7 (2015)


Article DOI: 10.1021/ml500340z
BindingDB Entry DOI: 10.7270/Q2NC62W2
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50080582
PNG
(CHEMBL3422428)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O |r|
Show InChI InChI=1/C43H48IN9O5/c1-26(54)50-38(24-31-25-49-34-11-6-5-10-33(31)34)42(58)53-37(23-28-15-19-32(44)20-16-28)41(57)51-35(12-7-21-48-43(46)47)40(56)52-36(39(45)55)22-27-13-17-30(18-14-27)29-8-3-2-4-9-29/h2-6,8-11,13-20,25,35-38,49H,7,12,21-24H2,1H3,(H2,45,55)(H,50,54)(H,51,57)(H,52,56)(H,53,58)(H4,46,47,48)/t35-,36-,37+,38-/s2
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 Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-3 receptor transfected in HEK293 cells after 6 hrs by beta-galactosidase reporter gene assay


ACS Med Chem Lett 6: 123-7 (2015)


Article DOI: 10.1021/ml500340z
BindingDB Entry DOI: 10.7270/Q2NC62W2
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50080582
PNG
(CHEMBL3422428)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O |r|
Show InChI InChI=1/C43H48IN9O5/c1-26(54)50-38(24-31-25-49-34-11-6-5-10-33(31)34)42(58)53-37(23-28-15-19-32(44)20-16-28)41(57)51-35(12-7-21-48-43(46)47)40(56)52-36(39(45)55)22-27-13-17-30(18-14-27)29-8-3-2-4-9-29/h2-6,8-11,13-20,25,35-38,49H,7,12,21-24H2,1H3,(H2,45,55)(H,50,54)(H,51,57)(H,52,56)(H,53,58)(H4,46,47,48)/t35-,36-,37+,38-/s2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.07E+4n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-1 receptor transfected in HEK293 cells after 6 hrs by beta-galactosidase reporter gene assay


ACS Med Chem Lett 6: 123-7 (2015)


Article DOI: 10.1021/ml500340z
BindingDB Entry DOI: 10.7270/Q2NC62W2
More data for this
Ligand-Target Pair