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BDBM232037 US9340517, 425::US9340517, 569::US9340517, 579::US9340517, 585

SMILES: CC[C@H](CN1CC[C@H](CNC(=O)c2ccc3cc(Cl)ccc3c2)N[C@H](CCN2CCCCC2)C1=O)c1ccccc1

InChI Key: InChIKey=PLXBZRBLWZSFDH-ZIIROOFJSA-N

Data: 4 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 4 hits for monomerid = 232037   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM232037
PNG
(US9340517, 425 | US9340517, 569 | US9340517, 579 |...)
Show SMILES CC[C@H](CN1CC[C@H](CNC(=O)c2ccc3cc(Cl)ccc3c2)N[C@H](CCN2CCCCC2)C1=O)c1ccccc1
Show InChI InChI=1S/C34H43ClN4O2/c1-2-25(26-9-5-3-6-10-26)24-39-20-15-31(37-32(34(39)41)16-19-38-17-7-4-8-18-38)23-36-33(40)29-12-11-28-22-30(35)14-13-27(28)21-29/h3,5-6,9-14,21-22,25,31-32,37H,2,4,7-8,15-20,23-24H2,1H3,(H,36,40)/t25-,31-,32-/m1/s1
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PC cid
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UniChem
US Patent
n/an/a<10n/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))
BDBM232037
PNG
(US9340517, 425 | US9340517, 569 | US9340517, 579 |...)
Show SMILES CC[C@H](CN1CC[C@H](CNC(=O)c2ccc3cc(Cl)ccc3c2)N[C@H](CCN2CCCCC2)C1=O)c1ccccc1
Show InChI InChI=1S/C34H43ClN4O2/c1-2-25(26-9-5-3-6-10-26)24-39-20-15-31(37-32(34(39)41)16-19-38-17-7-4-8-18-38)23-36-33(40)29-12-11-28-22-30(35)14-13-27(28)21-29/h3,5-6,9-14,21-22,25,31-32,37H,2,4,7-8,15-20,23-24H2,1H3,(H,36,40)/t25-,31-,32-/m1/s1
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US Patent
n/an/a<1.00E+4n/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))
BDBM232037
PNG
(US9340517, 425 | US9340517, 569 | US9340517, 579 |...)
Show SMILES CC[C@H](CN1CC[C@H](CNC(=O)c2ccc3cc(Cl)ccc3c2)N[C@H](CCN2CCCCC2)C1=O)c1ccccc1
Show InChI InChI=1S/C34H43ClN4O2/c1-2-25(26-9-5-3-6-10-26)24-39-20-15-31(37-32(34(39)41)16-19-38-17-7-4-8-18-38)23-36-33(40)29-12-11-28-22-30(35)14-13-27(28)21-29/h3,5-6,9-14,21-22,25,31-32,37H,2,4,7-8,15-20,23-24H2,1H3,(H,36,40)/t25-,31-,32-/m1/s1
Reactome pathway

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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a<10n/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))
BDBM232037
PNG
(US9340517, 425 | US9340517, 569 | US9340517, 579 |...)
Show SMILES CC[C@H](CN1CC[C@H](CNC(=O)c2ccc3cc(Cl)ccc3c2)N[C@H](CCN2CCCCC2)C1=O)c1ccccc1
Show InChI InChI=1S/C34H43ClN4O2/c1-2-25(26-9-5-3-6-10-26)24-39-20-15-31(37-32(34(39)41)16-19-38-17-7-4-8-18-38)23-36-33(40)29-12-11-28-22-30(35)14-13-27(28)21-29/h3,5-6,9-14,21-22,25,31-32,37H,2,4,7-8,15-20,23-24H2,1H3,(H,36,40)/t25-,31-,32-/m1/s1
Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/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