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BDBM50017134 CHEMBL3287327

SMILES: CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O

InChI Key: InChIKey=QZGVEZCPDSNBNU-IFQIAONGNA-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 = 50017134   
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))
BDBM50017134
PNG
(CHEMBL3287327)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O
Show InChI InChI=1/C32H40ClIN10O5/c1-18(45)41-27(15-23-16-38-17-40-23)31(49)44-26(14-19-4-8-21(33)9-5-19)30(48)42-24(3-2-12-39-32(36)37)29(47)43-25(28(35)46)13-20-6-10-22(34)11-7-20/h4-11,16-17,24-27H,2-3,12-15H2,1H3,(H2,35,46)(H,38,40)(H,41,45)(H,42,48)(H,43,47)(H,44,49)(H4,36,37,39)/t24-,25-,26+,27-/s2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.450n/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 1


(Mus musculus)
BDBM50017134
PNG
(CHEMBL3287327)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O
Show InChI InChI=1/C32H40ClIN10O5/c1-18(45)41-27(15-23-16-38-17-40-23)31(49)44-26(14-19-4-8-21(33)9-5-19)30(48)42-24(3-2-12-39-32(36)37)29(47)43-25(28(35)46)13-20-6-10-22(34)11-7-20/h4-11,16-17,24-27H,2-3,12-15H2,1H3,(H2,35,46)(H,38,40)(H,41,45)(H,42,48)(H,43,47)(H,44,49)(H4,36,37,39)/t24-,25-,26+,27-/s2
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 19n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-1 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stim...


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 5 (MC5R)


(Mus musculus (Mouse))
BDBM50017134
PNG
(CHEMBL3287327)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O
Show InChI InChI=1/C32H40ClIN10O5/c1-18(45)41-27(15-23-16-38-17-40-23)31(49)44-26(14-19-4-8-21(33)9-5-19)30(48)42-24(3-2-12-39-32(36)37)29(47)43-25(28(35)46)13-20-6-10-22(34)11-7-20/h4-11,16-17,24-27H,2-3,12-15H2,1H3,(H2,35,46)(H,38,40)(H,41,45)(H,42,48)(H,43,47)(H,44,49)(H4,36,37,39)/t24-,25-,26+,27-/s2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.40n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-5 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stim...


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)
BDBM50017134
PNG
(CHEMBL3287327)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O
Show InChI InChI=1/C32H40ClIN10O5/c1-18(45)41-27(15-23-16-38-17-40-23)31(49)44-26(14-19-4-8-21(33)9-5-19)30(48)42-24(3-2-12-39-32(36)37)29(47)43-25(28(35)46)13-20-6-10-22(34)11-7-20/h4-11,16-17,24-27H,2-3,12-15H2,1H3,(H2,35,46)(H,38,40)(H,41,45)(H,42,48)(H,43,47)(H,44,49)(H4,36,37,39)/t24-,25-,26+,27-/s2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.10n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stim...


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 3


(Mus musculus)
BDBM50017134
PNG
(CHEMBL3287327)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O
Show InChI InChI=1/C32H40ClIN10O5/c1-18(45)41-27(15-23-16-38-17-40-23)31(49)44-26(14-19-4-8-21(33)9-5-19)30(48)42-24(3-2-12-39-32(36)37)29(47)43-25(28(35)46)13-20-6-10-22(34)11-7-20/h4-11,16-17,24-27H,2-3,12-15H2,1H3,(H2,35,46)(H,38,40)(H,41,45)(H,42,48)(H,43,47)(H,44,49)(H4,36,37,39)/t24-,25-,26+,27-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 19n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-3 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stim...


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