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BDBM230657 US9340517, 64

SMILES: O=C(NC[C@H]1CCN(CC(c2ccccc2)c2ccccc2)C(=O)[C@@H](CCCN2CCCCC2)N1)c1ccc2ccccc2c1

InChI Key: InChIKey=IDXRWSTZYJEJCO-ZEEKBPLESA-N

Data: 7 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 7 hits for monomerid = 230657   
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))
BDBM230657
PNG
(US9340517, 64)
Show SMILES O=C(NC[C@H]1CCN(CC(c2ccccc2)c2ccccc2)C(=O)[C@@H](CCCN2CCCCC2)N1)c1ccc2ccccc2c1
Show InChI InChI=1S/C39H46N4O2/c44-38(34-21-20-30-13-8-9-18-33(30)27-34)40-28-35-22-26-43(39(45)37(41-35)19-12-25-42-23-10-3-11-24-42)29-36(31-14-4-1-5-15-31)32-16-6-2-7-17-32/h1-2,4-9,13-18,20-21,27,35-37,41H,3,10-12,19,22-26,28-29H2,(H,40,44)/t35-,37-/m1/s1
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/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
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM230657
PNG
(US9340517, 64)
Show SMILES O=C(NC[C@H]1CCN(CC(c2ccccc2)c2ccccc2)C(=O)[C@@H](CCCN2CCCCC2)N1)c1ccc2ccccc2c1
Show InChI InChI=1S/C39H46N4O2/c44-38(34-21-20-30-13-8-9-18-33(30)27-34)40-28-35-22-26-43(39(45)37(41-35)19-12-25-42-23-10-3-11-24-42)29-36(31-14-4-1-5-15-31)32-16-6-2-7-17-32/h1-2,4-9,13-18,20-21,27,35-37,41H,3,10-12,19,22-26,28-29H2,(H,40,44)/t35-,37-/m1/s1
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 30n/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
Melanocortin receptor 5 (MC5R)


(Macaca fascicularis (Cynomolgus monkey))
BDBM230657
PNG
(US9340517, 64)
Show SMILES O=C(NC[C@H]1CCN(CC(c2ccccc2)c2ccccc2)C(=O)[C@@H](CCCN2CCCCC2)N1)c1ccc2ccccc2c1
Show InChI InChI=1S/C39H46N4O2/c44-38(34-21-20-30-13-8-9-18-33(30)27-34)40-28-35-22-26-43(39(45)37(41-35)19-12-25-42-23-10-3-11-24-42)29-36(31-14-4-1-5-15-31)32-16-6-2-7-17-32/h1-2,4-9,13-18,20-21,27,35-37,41H,3,10-12,19,22-26,28-29H2,(H,40,44)/t35-,37-/m1/s1
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7.31E+3n/an/an/an/an/an/a



Mimetica PTY LTD

US Patent


Assay Description
Radioligand binding and cAMP assays were also conducted using membranes and cells expressing MC5R cloned from other species (mouse MC5R membranes wer...


US Patent US9340517 (2016)


BindingDB Entry DOI: 10.7270/Q2PV6J8X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM230657
PNG
(US9340517, 64)
Show SMILES O=C(NC[C@H]1CCN(CC(c2ccccc2)c2ccccc2)C(=O)[C@@H](CCCN2CCCCC2)N1)c1ccc2ccccc2c1
Show InChI InChI=1S/C39H46N4O2/c44-38(34-21-20-30-13-8-9-18-33(30)27-34)40-28-35-22-26-43(39(45)37(41-35)19-12-25-42-23-10-3-11-24-42)29-36(31-14-4-1-5-15-31)32-16-6-2-7-17-32/h1-2,4-9,13-18,20-21,27,35-37,41H,3,10-12,19,22-26,28-29H2,(H,40,44)/t35-,37-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.49E+3n/an/an/an/a7.44



Mimetica PTY LTD

US Patent


Assay Description
Radioligand binding assays were carried out using commercial or in-house prepared hMC1R, hMC3R and hMC4R membranes and [125I] NDP-MSH, as per the hMC...


US Patent US9340517 (2016)


BindingDB Entry DOI: 10.7270/Q2PV6J8X
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM230657
PNG
(US9340517, 64)
Show SMILES O=C(NC[C@H]1CCN(CC(c2ccccc2)c2ccccc2)C(=O)[C@@H](CCCN2CCCCC2)N1)c1ccc2ccccc2c1
Show InChI InChI=1S/C39H46N4O2/c44-38(34-21-20-30-13-8-9-18-33(30)27-34)40-28-35-22-26-43(39(45)37(41-35)19-12-25-42-23-10-3-11-24-42)29-36(31-14-4-1-5-15-31)32-16-6-2-7-17-32/h1-2,4-9,13-18,20-21,27,35-37,41H,3,10-12,19,22-26,28-29H2,(H,40,44)/t35-,37-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 9.22E+3n/an/an/an/a7.44



Mimetica PTY LTD

US Patent


Assay Description
Radioligand binding assays were carried out using commercial or in-house prepared hMC1R, hMC3R and hMC4R membranes and [125I] NDP-MSH, as per the hMC...


US Patent US9340517 (2016)


BindingDB Entry DOI: 10.7270/Q2PV6J8X
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM230657
PNG
(US9340517, 64)
Show SMILES O=C(NC[C@H]1CCN(CC(c2ccccc2)c2ccccc2)C(=O)[C@@H](CCCN2CCCCC2)N1)c1ccc2ccccc2c1
Show InChI InChI=1S/C39H46N4O2/c44-38(34-21-20-30-13-8-9-18-33(30)27-34)40-28-35-22-26-43(39(45)37(41-35)19-12-25-42-23-10-3-11-24-42)29-36(31-14-4-1-5-15-31)32-16-6-2-7-17-32/h1-2,4-9,13-18,20-21,27,35-37,41H,3,10-12,19,22-26,28-29H2,(H,40,44)/t35-,37-/m1/s1
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.24E+3n/an/an/an/a7.44



Mimetica PTY LTD

US Patent


Assay Description
Radioligand binding assays were carried out using commercial or in-house prepared hMC1R, hMC3R and hMC4R membranes and [125I] NDP-MSH, as per the hMC...


US Patent US9340517 (2016)


BindingDB Entry DOI: 10.7270/Q2PV6J8X
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM230657
PNG
(US9340517, 64)
Show SMILES O=C(NC[C@H]1CCN(CC(c2ccccc2)c2ccccc2)C(=O)[C@@H](CCCN2CCCCC2)N1)c1ccc2ccccc2c1
Show InChI InChI=1S/C39H46N4O2/c44-38(34-21-20-30-13-8-9-18-33(30)27-34)40-28-35-22-26-43(39(45)37(41-35)19-12-25-42-23-10-3-11-24-42)29-36(31-14-4-1-5-15-31)32-16-6-2-7-17-32/h1-2,4-9,13-18,20-21,27,35-37,41H,3,10-12,19,22-26,28-29H2,(H,40,44)/t35-,37-/m1/s1
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 31n/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