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BDBM50373504 CHEMBL272515

SMILES: CC(C)[C@H](NC(=O)CCN(C)C)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)c(Cl)c1)C(C)C

InChI Key: InChIKey=KMWZPGLREBIDRH-HEHLMWRFSA-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 = 50373504   
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))
BDBM50373504
PNG
(CHEMBL272515)
Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)c(Cl)c1)C(C)C
Show InChI InChI=1S/C33H46ClF2N5O2/c1-21(2)31(37-30(42)12-13-38(5)6)24-8-7-9-29(36)32(24)39-14-16-40(17-15-39)33(43)26-20-41(22(3)4)19-25(26)23-10-11-28(35)27(34)18-23/h7-11,18,21-22,25-26,31H,12-17,19-20H2,1-6H3,(H,37,42)/t25-,26+,31-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
260n/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))
BDBM50373504
PNG
(CHEMBL272515)
Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)c(Cl)c1)C(C)C
Show InChI InChI=1S/C33H46ClF2N5O2/c1-21(2)31(37-30(42)12-13-38(5)6)24-8-7-9-29(36)32(24)39-14-16-40(17-15-39)33(43)26-20-41(22(3)4)19-25(26)23-10-11-28(35)27(34)18-23/h7-11,18,21-22,25-26,31H,12-17,19-20H2,1-6H3,(H,37,42)/t25-,26+,31-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 410n/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