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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 = 'BDBM50149265'   
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))
BDBM50149265
PNG
(3-((R)-2-Amino-3-methyl-butyl)-1-(2,6-difluoro-ben...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)C(C)C)c1=O |wU:26.28,(4.12,9.96,;2.78,9.19,;2.78,7.65,;4.12,6.88,;4.12,5.33,;2.78,4.57,;1.45,5.34,;1.45,6.88,;.12,7.65,;.1,4.59,;.1,3.05,;1.43,2.28,;-1.23,2.26,;-1.23,.72,;.1,-.05,;.1,-1.6,;-1.24,-2.37,;1.43,-2.37,;2.76,-1.6,;2.76,-.05,;1.43,.72,;2.52,1.82,;-2.56,3.04,;-3.9,2.28,;-2.56,4.59,;-3.89,5.37,;-5.23,4.59,;-6.56,5.37,;-5.23,3.05,;-6.58,2.28,;-4.84,1.57,;-1.23,5.37,;-1.21,6.91,)|
Show InChI InChI=1S/C24H26F3N3O3/c1-13(2)19(28)12-30-23(31)21(15-7-5-10-20(33-4)22(15)27)14(3)29(24(30)32)11-16-17(25)8-6-9-18(16)26/h5-10,13,19H,11-12,28H2,1-4H3/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
51n/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))
BDBM50149265
PNG
(3-((R)-2-Amino-3-methyl-butyl)-1-(2,6-difluoro-ben...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)C(C)C)c1=O |wU:26.28,(4.12,9.96,;2.78,9.19,;2.78,7.65,;4.12,6.88,;4.12,5.33,;2.78,4.57,;1.45,5.34,;1.45,6.88,;.12,7.65,;.1,4.59,;.1,3.05,;1.43,2.28,;-1.23,2.26,;-1.23,.72,;.1,-.05,;.1,-1.6,;-1.24,-2.37,;1.43,-2.37,;2.76,-1.6,;2.76,-.05,;1.43,.72,;2.52,1.82,;-2.56,3.04,;-3.9,2.28,;-2.56,4.59,;-3.89,5.37,;-5.23,4.59,;-6.56,5.37,;-5.23,3.05,;-6.58,2.28,;-4.84,1.57,;-1.23,5.37,;-1.21,6.91,)|
Show InChI InChI=1S/C24H26F3N3O3/c1-13(2)19(28)12-30-23(31)21(15-7-5-10-20(33-4)22(15)27)14(3)29(24(30)32)11-16-17(25)8-6-9-18(16)26/h5-10,13,19H,11-12,28H2,1-4H3/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
51n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin releasing hormone receptor using des-Gly10[125I-Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]GnRH as radioligand expresse...


J Med Chem 47: 3483-6 (2004)


Article DOI: 10.1021/jm049791w
BindingDB Entry DOI: 10.7270/Q2HT2NTX
More data for this
Ligand-Target Pair