BindingDB logo
myBDB logout

BDBM231721 US9340517, 107

SMILES: CN(C[C@@H]1CCN(CC(c2ccccc2)c2ccccc2)C(=O)[C@H](CCCN)N1)C(=O)c1cc2ccccc2[nH]1

InChI Key: InChIKey=VZNXGQFDCPFDDG-FIBWVYCGSA-N

Data: 1 IC50

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 1 hit for monomerid = 231721   
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)


(Homo sapiens (Human))
BDBM231721
PNG
(US9340517, 107)
Show SMILES CN(C[C@@H]1CCN(CC(c2ccccc2)c2ccccc2)C(=O)[C@H](CCCN)N1)C(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C33H39N5O2/c1-37(32(39)31-21-26-15-8-9-16-29(26)36-31)22-27-18-20-38(33(40)30(35-27)17-10-19-34)23-28(24-11-4-2-5-12-24)25-13-6-3-7-14-25/h2-9,11-16,21,27-28,30,35-36H,10,17-20,22-23,34H2,1H3/t27-,30-/m0/s1
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/a7.437



Mimetica PTY LTD

US Patent


Assay Description
Assessments of compound binding to human MC5R (hMC5R)) by displacement of an 125I-labeled NDP-MSH receptor ligand peptide were performed essentially ...


US Patent US9340517 (2016)


BindingDB Entry DOI: 10.7270/Q2PV6J8X
More data for this
Ligand-Target Pair