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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM50260757'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50260757
PNG
((R)-methyl 4-(2-(3-(2-fluoro-6-(trifluoromethyl)be...)
Show SMILES COC(=O)CCCN[C@@H](Cn1c(=O)c(cn(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1cccc(OC)c1F)c1ccccc1 |r|
Show InChI InChI=1S/C32H30F5N3O5/c1-44-27-14-6-11-21(29(27)34)22-17-39(18-23-24(32(35,36)37)12-7-13-25(23)33)31(43)40(30(22)42)19-26(20-9-4-3-5-10-20)38-16-8-15-28(41)45-2/h3-7,9-14,17,26,38H,8,15-16,18-19H2,1-2H3/t26-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
32n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]Pro-N-Et-GnRH from human cloned GnRH receptor expressed in HEK cells


Bioorg Med Chem Lett 18: 4503-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.059
BindingDB Entry DOI: 10.7270/Q2QR4WZJ
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50260757
PNG
((R)-methyl 4-(2-(3-(2-fluoro-6-(trifluoromethyl)be...)
Show SMILES COC(=O)CCCN[C@@H](Cn1c(=O)c(cn(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1cccc(OC)c1F)c1ccccc1 |r|
Show InChI InChI=1S/C32H30F5N3O5/c1-44-27-14-6-11-21(29(27)34)22-17-39(18-23-24(32(35,36)37)12-7-13-25(23)33)31(43)40(30(22)42)19-26(20-9-4-3-5-10-20)38-16-8-15-28(41)45-2/h3-7,9-14,17,26,38H,8,15-16,18-19H2,1-2H3/t26-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
32n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GnRHR


Bioorg Med Chem Lett 18: 3301-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.036
BindingDB Entry DOI: 10.7270/Q2JD4WKM
More data for this
Ligand-Target Pair