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BDBM50373510 CHEMBL404069

SMILES: CC(C)[C@H](NC(=O)CN)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C1CCOCC1

InChI Key: InChIKey=YBORROWXCFESBC-LBRLCBGXSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50373510   
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))
BDBM50373510
PNG
(CHEMBL404069)
Show SMILES CC(C)[C@H](NC(=O)CN)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C1CCOCC1
Show InChI InChI=1S/C33H46ClN5O3/c1-22(2)32(36-31(40)19-35)27-18-23(3)4-9-30(27)37-12-14-38(15-13-37)33(41)29-21-39(26-10-16-42-17-11-26)20-28(29)24-5-7-25(34)8-6-24/h4-9,18,22,26,28-29,32H,10-17,19-21,35H2,1-3H3,(H,36,40)/t28-,29+,32-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 129-36 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.115
BindingDB Entry DOI: 10.7270/Q2MK6DR5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50373510
PNG
(CHEMBL404069)
Show SMILES CC(C)[C@H](NC(=O)CN)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C1CCOCC1
Show InChI InChI=1S/C33H46ClN5O3/c1-22(2)32(36-31(40)19-35)27-18-23(3)4-9-30(27)37-12-14-38(15-13-37)33(41)29-21-39(26-10-16-42-17-11-26)20-28(29)24-5-7-25(34)8-6-24/h4-9,18,22,26,28-29,32H,10-17,19-21,35H2,1-3H3,(H,36,40)/t28-,29+,32-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 9.10n/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human MC4 receptor expressed in CHO cells assessed as accumulation of cAMP production


Bioorg Med Chem Lett 18: 129-36 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.115
BindingDB Entry DOI: 10.7270/Q2MK6DR5
More data for this
Ligand-Target Pair