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BDBM50261184 5-((3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl)-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide::CHEMBL494803

SMILES: COc1cc(OC)c(NC(=O)c2ccc(Cc3cc4c(cc3C)C(C)(C)CCC4(C)C)o2)c(OC)c1

InChI Key: InChIKey=IPEMCIBPDYCJLO-UHFFFAOYSA-N

Data: 4 KI

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 = 50261184   
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
Gonadotropin-releasing hormone receptor


(Mus musculus)
BDBM50261184
PNG
(5-((3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphth...)
Show SMILES COc1cc(OC)c(NC(=O)c2ccc(Cc3cc4c(cc3C)C(C)(C)CCC4(C)C)o2)c(OC)c1
Show InChI InChI=1S/C30H37NO5/c1-18-13-22-23(30(4,5)12-11-29(22,2)3)15-19(18)14-20-9-10-24(36-20)28(32)31-27-25(34-7)16-21(33-6)17-26(27)35-8/h9-10,13,15-17H,11-12,14H2,1-8H3,(H,31,32)
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2.20n/an/an/an/an/an/an/an/a



Norwegian Medical Cyclotron Centre, PO Box 4950, Nydalen, N-0424 Oslo, Norway.

Curated by ChEMBL


Assay Description
Binding affinity to mouse gonadotropin-releasing hormone receptor by radioligand displacement assay


Bioorg Med Chem Lett 24: 1846-50 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.002
BindingDB Entry DOI: 10.7270/Q2XS5WXP
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50261184
PNG
(5-((3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphth...)
Show SMILES COc1cc(OC)c(NC(=O)c2ccc(Cc3cc4c(cc3C)C(C)(C)CCC4(C)C)o2)c(OC)c1
Show InChI InChI=1S/C30H37NO5/c1-18-13-22-23(30(4,5)12-11-29(22,2)3)15-19(18)14-20-9-10-24(36-20)28(32)31-27-25(34-7)16-21(33-6)17-26(27)35-8/h9-10,13,15-17H,11-12,14H2,1-8H3,(H,31,32)
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3.80n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Binding affinity at rat GnRH receptor by competition binding assay


J Med Chem 51: 3331-48 (2008)


Article DOI: 10.1021/jm701249f
BindingDB Entry DOI: 10.7270/Q2KD1XQ0
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50261184
PNG
(5-((3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphth...)
Show SMILES COc1cc(OC)c(NC(=O)c2ccc(Cc3cc4c(cc3C)C(C)(C)CCC4(C)C)o2)c(OC)c1
Show InChI InChI=1S/C30H37NO5/c1-18-13-22-23(30(4,5)12-11-29(22,2)3)15-19(18)14-20-9-10-24(36-20)28(32)31-27-25(34-7)16-21(33-6)17-26(27)35-8/h9-10,13,15-17H,11-12,14H2,1-8H3,(H,31,32)
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PubMed
3.80n/an/an/an/an/an/an/an/a



Norwegian Medical Cyclotron Centre, PO Box 4950, Nydalen, N-0424 Oslo, Norway.

Curated by ChEMBL


Assay Description
Binding affinity to rat gonadotropin-releasing hormone receptor by radioligand displacement assay


Bioorg Med Chem Lett 24: 1846-50 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.002
BindingDB Entry DOI: 10.7270/Q2XS5WXP
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50261184
PNG
(5-((3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphth...)
Show SMILES COc1cc(OC)c(NC(=O)c2ccc(Cc3cc4c(cc3C)C(C)(C)CCC4(C)C)o2)c(OC)c1
Show InChI InChI=1S/C30H37NO5/c1-18-13-22-23(30(4,5)12-11-29(22,2)3)15-19(18)14-20-9-10-24(36-20)28(32)31-27-25(34-7)16-21(33-6)17-26(27)35-8/h9-10,13,15-17H,11-12,14H2,1-8H3,(H,31,32)
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6n/an/an/an/an/an/an/an/a



Norwegian Medical Cyclotron Centre, PO Box 4950, Nydalen, N-0424 Oslo, Norway.

Curated by ChEMBL


Assay Description
Binding affinity to human gonadotropin-releasing hormone receptor by radioligand displacement assay


Bioorg Med Chem Lett 24: 1846-50 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.002
BindingDB Entry DOI: 10.7270/Q2XS5WXP
More data for this
Ligand-Target Pair