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BDBM50213660 (S)-1-(3-(1-(2-(4-(1H-tetrazol-5-yl)phenoxy)ethylamino)propan-2-yl)-2-(3,5-dimethylphenyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-5(4H)-yl)-2-(2-fluoro-6-(trifluoromethyl)phenyl)ethanone::CHEMBL394634

SMILES: C[C@H](CNCCOc1ccc(cc1)-c1nnn[nH]1)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(=O)Cc1c(F)cccc1C(F)(F)F

InChI Key: InChIKey=PJOOYZYPULECSK-HSZRJFAPSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50213660   
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


(Rattus norvegicus)
BDBM50213660
PNG
((S)-1-(3-(1-(2-(4-(1H-tetrazol-5-yl)phenoxy)ethyla...)
Show SMILES C[C@H](CNCCOc1ccc(cc1)-c1nnn[nH]1)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(=O)Cc1c(F)cccc1C(F)(F)F
Show InChI InChI=1S/C36H37F4N7O2/c1-21-15-22(2)17-25(16-21)34-33(23(3)19-41-12-14-49-26-9-7-24(8-10-26)35-43-45-46-44-35)28-20-47(13-11-31(28)42-34)32(48)18-27-29(36(38,39)40)5-4-6-30(27)37/h4-10,15-17,23,41-42H,11-14,18-20H2,1-3H3,(H,43,44,45,46)/t23-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr5, DLeu6, NMeLeu7, Pro-N-Et-GnRH from cloned rat GnRHR


Bioorg Med Chem Lett 17: 3845-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.009
BindingDB Entry DOI: 10.7270/Q2JD4WHQ
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50213660
PNG
((S)-1-(3-(1-(2-(4-(1H-tetrazol-5-yl)phenoxy)ethyla...)
Show SMILES C[C@H](CNCCOc1ccc(cc1)-c1nnn[nH]1)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(=O)Cc1c(F)cccc1C(F)(F)F
Show InChI InChI=1S/C36H37F4N7O2/c1-21-15-22(2)17-25(16-21)34-33(23(3)19-41-12-14-49-26-9-7-24(8-10-26)35-43-45-46-44-35)28-20-47(13-11-31(28)42-34)32(48)18-27-29(36(38,39)40)5-4-6-30(27)37/h4-10,15-17,23,41-42H,11-14,18-20H2,1-3H3,(H,43,44,45,46)/t23-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 63n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GnRHR expressed in RBL cells assessed as inhibition of GnRH-stimulated [3H]-inositol phosphate hydrolysis


Bioorg Med Chem Lett 17: 3845-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.009
BindingDB Entry DOI: 10.7270/Q2JD4WHQ
More data for this
Ligand-Target Pair