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BDBM50213658 (S)-1-(3-(1-(2-(1H-benzo[d][1,2,3]triazol-5-yl)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::CHEMBL231760

SMILES: C[C@H](CNCCc1ccc2nn[nH]c2c1)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(=O)Cc1c(F)cccc1C(F)(F)F

InChI Key: InChIKey=UJMDOABXIASWGO-JOCHJYFZSA-N

Data: 1 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50213658   
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)
BDBM50213658
PNG
((S)-1-(3-(1-(2-(1H-benzo[d][1,2,3]triazol-5-yl)eth...)
Show SMILES C[C@H](CNCCc1ccc2nn[nH]c2c1)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(=O)Cc1c(F)cccc1C(F)(F)F
Show InChI InChI=1S/C35H36F4N6O/c1-20-13-21(2)15-24(14-20)34-33(22(3)18-40-11-9-23-7-8-30-31(16-23)43-44-42-30)26-19-45(12-10-29(26)41-34)32(46)17-25-27(35(37,38)39)5-4-6-28(25)36/h4-8,13-16,22,40-41H,9-12,17-19H2,1-3H3,(H,42,43,44)/t22-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.5n/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 receptor


(Rattus norvegicus)
BDBM50213658
PNG
((S)-1-(3-(1-(2-(1H-benzo[d][1,2,3]triazol-5-yl)eth...)
Show SMILES C[C@H](CNCCc1ccc2nn[nH]c2c1)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(=O)Cc1c(F)cccc1C(F)(F)F
Show InChI InChI=1S/C35H36F4N6O/c1-20-13-21(2)15-24(14-20)34-33(22(3)18-40-11-9-23-7-8-30-31(16-23)43-44-42-30)26-19-45(12-10-29(26)41-34)32(46)17-25-27(35(37,38)39)5-4-6-28(25)36/h4-8,13-16,22,40-41H,9-12,17-19H2,1-3H3,(H,42,43,44)/t22-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GnRHR in rat pituitary cells assessed as inhibition of GnRH-stimulated LH release


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))
BDBM50213658
PNG
((S)-1-(3-(1-(2-(1H-benzo[d][1,2,3]triazol-5-yl)eth...)
Show SMILES C[C@H](CNCCc1ccc2nn[nH]c2c1)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(=O)Cc1c(F)cccc1C(F)(F)F
Show InChI InChI=1S/C35H36F4N6O/c1-20-13-21(2)15-24(14-20)34-33(22(3)18-40-11-9-23-7-8-30-31(16-23)43-44-42-30)26-19-45(12-10-29(26)41-34)32(46)17-25-27(35(37,38)39)5-4-6-28(25)36/h4-8,13-16,22,40-41H,9-12,17-19H2,1-3H3,(H,42,43,44)/t22-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 26n/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