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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 = 'BDBM50162022'   
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))
BDBM50162022
PNG
(5-Benzo[1,3]dioxol-5-yl-1-(2,6-difluoro-benzyl)-6-...)
Show SMILES CN[C@@H](Cn1c(=O)c(c(C)n(Cc2c(F)cccc2F)c1=O)-c1ccc2OCOc2c1)c1ccccc1
Show InChI InChI=1S/C28H25F2N3O4/c1-17-26(19-11-12-24-25(13-19)37-16-36-24)27(34)33(15-23(31-2)18-7-4-3-5-8-18)28(35)32(17)14-20-21(29)9-6-10-22(20)30/h3-13,23,31H,14-16H2,1-2H3/t23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.60n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50162022
PNG
(5-Benzo[1,3]dioxol-5-yl-1-(2,6-difluoro-benzyl)-6-...)
Show SMILES CN[C@@H](Cn1c(=O)c(c(C)n(Cc2c(F)cccc2F)c1=O)-c1ccc2OCOc2c1)c1ccccc1
Show InChI InChI=1S/C28H25F2N3O4/c1-17-26(19-11-12-24-25(13-19)37-16-36-24)27(34)33(15-23(31-2)18-7-4-3-5-8-18)28(35)32(17)14-20-21(29)9-6-10-22(20)30/h3-13,23,31H,14-16H2,1-2H3/t23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
100n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Monkey gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair