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BDBM230656 US9340517, 105

SMILES: NC(=N)NCCC[C@H]1N[C@@H](CNC(=O)c2ccc3ccccc3c2)CCN(CC(c2ccccc2)c2ccccc2)C1=O

InChI Key: InChIKey=DKFQXTHTGAKMJQ-XLJNKUFUSA-N

Data: 8 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 8 hits for monomerid = 230656   
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))
BDBM230656
PNG
(US9340517, 105)
Show SMILES NC(=N)NCCC[C@H]1N[C@@H](CNC(=O)c2ccc3ccccc3c2)CCN(CC(c2ccccc2)c2ccccc2)C1=O
Show InChI InChI=1S/C35H40N6O2/c36-35(37)38-20-9-16-32-34(43)41(24-31(26-11-3-1-4-12-26)27-13-5-2-6-14-27)21-19-30(40-32)23-39-33(42)29-18-17-25-10-7-8-15-28(25)22-29/h1-8,10-15,17-18,22,30-32,40H,9,16,19-21,23-24H2,(H,39,42)(H4,36,37,38)/t30-,32-/m1/s1
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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))
BDBM230656
PNG
(US9340517, 105)
Show SMILES NC(=N)NCCC[C@H]1N[C@@H](CNC(=O)c2ccc3ccccc3c2)CCN(CC(c2ccccc2)c2ccccc2)C1=O
Show InChI InChI=1S/C35H40N6O2/c36-35(37)38-20-9-16-32-34(43)41(24-31(26-11-3-1-4-12-26)27-13-5-2-6-14-27)21-19-30(40-32)23-39-33(42)29-18-17-25-10-7-8-15-28(25)22-29/h1-8,10-15,17-18,22,30-32,40H,9,16,19-21,23-24H2,(H,39,42)(H4,36,37,38)/t30-,32-/m1/s1
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n/an/a 56n/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))
BDBM230656
PNG
(US9340517, 105)
Show SMILES NC(=N)NCCC[C@H]1N[C@@H](CNC(=O)c2ccc3ccccc3c2)CCN(CC(c2ccccc2)c2ccccc2)C1=O
Show InChI InChI=1S/C35H40N6O2/c36-35(37)38-20-9-16-32-34(43)41(24-31(26-11-3-1-4-12-26)27-13-5-2-6-14-27)21-19-30(40-32)23-39-33(42)29-18-17-25-10-7-8-15-28(25)22-29/h1-8,10-15,17-18,22,30-32,40H,9,16,19-21,23-24H2,(H,39,42)(H4,36,37,38)/t30-,32-/m1/s1
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n/an/a 57n/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 4


(Homo sapiens (Human))
BDBM230656
PNG
(US9340517, 105)
Show SMILES NC(=N)NCCC[C@H]1N[C@@H](CNC(=O)c2ccc3ccccc3c2)CCN(CC(c2ccccc2)c2ccccc2)C1=O
Show InChI InChI=1S/C35H40N6O2/c36-35(37)38-20-9-16-32-34(43)41(24-31(26-11-3-1-4-12-26)27-13-5-2-6-14-27)21-19-30(40-32)23-39-33(42)29-18-17-25-10-7-8-15-28(25)22-29/h1-8,10-15,17-18,22,30-32,40H,9,16,19-21,23-24H2,(H,39,42)(H4,36,37,38)/t30-,32-/m1/s1
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n/an/a 3.28E+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)


(Macaca fascicularis (Cynomolgus monkey))
BDBM230656
PNG
(US9340517, 105)
Show SMILES NC(=N)NCCC[C@H]1N[C@@H](CNC(=O)c2ccc3ccccc3c2)CCN(CC(c2ccccc2)c2ccccc2)C1=O
Show InChI InChI=1S/C35H40N6O2/c36-35(37)38-20-9-16-32-34(43)41(24-31(26-11-3-1-4-12-26)27-13-5-2-6-14-27)21-19-30(40-32)23-39-33(42)29-18-17-25-10-7-8-15-28(25)22-29/h1-8,10-15,17-18,22,30-32,40H,9,16,19-21,23-24H2,(H,39,42)(H4,36,37,38)/t30-,32-/m1/s1
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6.03E+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
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM230656
PNG
(US9340517, 105)
Show SMILES NC(=N)NCCC[C@H]1N[C@@H](CNC(=O)c2ccc3ccccc3c2)CCN(CC(c2ccccc2)c2ccccc2)C1=O
Show InChI InChI=1S/C35H40N6O2/c36-35(37)38-20-9-16-32-34(43)41(24-31(26-11-3-1-4-12-26)27-13-5-2-6-14-27)21-19-30(40-32)23-39-33(42)29-18-17-25-10-7-8-15-28(25)22-29/h1-8,10-15,17-18,22,30-32,40H,9,16,19-21,23-24H2,(H,39,42)(H4,36,37,38)/t30-,32-/m1/s1
PDB

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n/an/a 6.66E+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))
BDBM230656
PNG
(US9340517, 105)
Show SMILES NC(=N)NCCC[C@H]1N[C@@H](CNC(=O)c2ccc3ccccc3c2)CCN(CC(c2ccccc2)c2ccccc2)C1=O
Show InChI InChI=1S/C35H40N6O2/c36-35(37)38-20-9-16-32-34(43)41(24-31(26-11-3-1-4-12-26)27-13-5-2-6-14-27)21-19-30(40-32)23-39-33(42)29-18-17-25-10-7-8-15-28(25)22-29/h1-8,10-15,17-18,22,30-32,40H,9,16,19-21,23-24H2,(H,39,42)(H4,36,37,38)/t30-,32-/m1/s1
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n/an/a 1.75E+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)


(Mus musculus (Mouse))
BDBM230656
PNG
(US9340517, 105)
Show SMILES NC(=N)NCCC[C@H]1N[C@@H](CNC(=O)c2ccc3ccccc3c2)CCN(CC(c2ccccc2)c2ccccc2)C1=O
Show InChI InChI=1S/C35H40N6O2/c36-35(37)38-20-9-16-32-34(43)41(24-31(26-11-3-1-4-12-26)27-13-5-2-6-14-27)21-19-30(40-32)23-39-33(42)29-18-17-25-10-7-8-15-28(25)22-29/h1-8,10-15,17-18,22,30-32,40H,9,16,19-21,23-24H2,(H,39,42)(H4,36,37,38)/t30-,32-/m1/s1
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n/an/a 4.00E+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