Found 4 hits for monomerid = 50272662 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50272662
((R)-5-(3-(1-(2-fluoro-6-(trifluoromethyl)benzyl)-3...)Show SMILES Cc1c(-c2cccc(OCCCCC(O)=O)c2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F |r,wD:22.23,(32.43,-44.71,;31.09,-43.94,;31.09,-42.4,;32.42,-41.63,;33.75,-42.41,;35.09,-41.65,;35.1,-40.11,;33.75,-39.33,;33.75,-37.79,;35.09,-37.02,;35.09,-35.48,;36.42,-34.71,;36.42,-33.17,;37.75,-32.4,;39.09,-33.17,;37.75,-30.86,;32.42,-40.1,;31.09,-39.33,;29.76,-41.62,;29.76,-40.08,;28.44,-42.4,;27.1,-41.63,;25.77,-42.4,;25.77,-43.94,;24.43,-41.64,;24.44,-40.1,;23.1,-39.33,;21.77,-40.11,;21.78,-41.66,;23.11,-42.42,;28.44,-43.94,;27.1,-44.71,;29.76,-44.7,;29.76,-46.24,;28.98,-47.57,;29.81,-48.85,;31.35,-48.77,;29.12,-50.22,;27.57,-50.3,;26.74,-49.01,;27.44,-47.64,;26.61,-46.34,;25.79,-45.04,;25.31,-47.17,;27.91,-45.51,)| Show InChI InChI=1S/C32H30F5N3O5/c1-19-28(21-11-7-14-26(29(21)34)45-16-6-5-15-27(41)42)30(43)40(18-25(38)20-9-3-2-4-10-20)31(44)39(19)17-22-23(32(35,36)37)12-8-13-24(22)33/h2-4,7-14,25H,5-6,15-18,38H2,1H3,(H,41,42)/t25-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]tyr5,D-Leu6,NMeLeu7-GnRH from human cloned GnRH receptor expressed in RBL 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)) | BDBM50272662
((R)-5-(3-(1-(2-fluoro-6-(trifluoromethyl)benzyl)-3...)Show SMILES Cc1c(-c2cccc(OCCCCC(O)=O)c2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F |r,wD:22.23,(32.43,-44.71,;31.09,-43.94,;31.09,-42.4,;32.42,-41.63,;33.75,-42.41,;35.09,-41.65,;35.1,-40.11,;33.75,-39.33,;33.75,-37.79,;35.09,-37.02,;35.09,-35.48,;36.42,-34.71,;36.42,-33.17,;37.75,-32.4,;39.09,-33.17,;37.75,-30.86,;32.42,-40.1,;31.09,-39.33,;29.76,-41.62,;29.76,-40.08,;28.44,-42.4,;27.1,-41.63,;25.77,-42.4,;25.77,-43.94,;24.43,-41.64,;24.44,-40.1,;23.1,-39.33,;21.77,-40.11,;21.78,-41.66,;23.11,-42.42,;28.44,-43.94,;27.1,-44.71,;29.76,-44.7,;29.76,-46.24,;28.98,-47.57,;29.81,-48.85,;31.35,-48.77,;29.12,-50.22,;27.57,-50.3,;26.74,-49.01,;27.44,-47.64,;26.61,-46.34,;25.79,-45.04,;25.31,-47.17,;27.91,-45.51,)| Show InChI InChI=1S/C32H30F5N3O5/c1-19-28(21-11-7-14-26(29(21)34)45-16-6-5-15-27(41)42)30(43)40(18-25(38)20-9-3-2-4-10-20)31(44)39(19)17-22-23(32(35,36)37)12-8-13-24(22)33/h2-4,7-14,25H,5-6,15-18,38H2,1H3,(H,41,42)/t25-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50272662
((R)-5-(3-(1-(2-fluoro-6-(trifluoromethyl)benzyl)-3...)Show SMILES Cc1c(-c2cccc(OCCCCC(O)=O)c2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F |r,wD:22.23,(32.43,-44.71,;31.09,-43.94,;31.09,-42.4,;32.42,-41.63,;33.75,-42.41,;35.09,-41.65,;35.1,-40.11,;33.75,-39.33,;33.75,-37.79,;35.09,-37.02,;35.09,-35.48,;36.42,-34.71,;36.42,-33.17,;37.75,-32.4,;39.09,-33.17,;37.75,-30.86,;32.42,-40.1,;31.09,-39.33,;29.76,-41.62,;29.76,-40.08,;28.44,-42.4,;27.1,-41.63,;25.77,-42.4,;25.77,-43.94,;24.43,-41.64,;24.44,-40.1,;23.1,-39.33,;21.77,-40.11,;21.78,-41.66,;23.11,-42.42,;28.44,-43.94,;27.1,-44.71,;29.76,-44.7,;29.76,-46.24,;28.98,-47.57,;29.81,-48.85,;31.35,-48.77,;29.12,-50.22,;27.57,-50.3,;26.74,-49.01,;27.44,-47.64,;26.61,-46.34,;25.79,-45.04,;25.31,-47.17,;27.91,-45.51,)| Show InChI InChI=1S/C32H30F5N3O5/c1-19-28(21-11-7-14-26(29(21)34)45-16-6-5-15-27(41)42)30(43)40(18-25(38)20-9-3-2-4-10-20)31(44)39(19)17-22-23(32(35,36)37)12-8-13-24(22)33/h2-4,7-14,25H,5-6,15-18,38H2,1H3,(H,41,42)/t25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant CYP3A4 (unknown origin) by microtiter plate-based fluorimetric assay |
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)) | BDBM50272662
((R)-5-(3-(1-(2-fluoro-6-(trifluoromethyl)benzyl)-3...)Show SMILES Cc1c(-c2cccc(OCCCCC(O)=O)c2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F |r,wD:22.23,(32.43,-44.71,;31.09,-43.94,;31.09,-42.4,;32.42,-41.63,;33.75,-42.41,;35.09,-41.65,;35.1,-40.11,;33.75,-39.33,;33.75,-37.79,;35.09,-37.02,;35.09,-35.48,;36.42,-34.71,;36.42,-33.17,;37.75,-32.4,;39.09,-33.17,;37.75,-30.86,;32.42,-40.1,;31.09,-39.33,;29.76,-41.62,;29.76,-40.08,;28.44,-42.4,;27.1,-41.63,;25.77,-42.4,;25.77,-43.94,;24.43,-41.64,;24.44,-40.1,;23.1,-39.33,;21.77,-40.11,;21.78,-41.66,;23.11,-42.42,;28.44,-43.94,;27.1,-44.71,;29.76,-44.7,;29.76,-46.24,;28.98,-47.57,;29.81,-48.85,;31.35,-48.77,;29.12,-50.22,;27.57,-50.3,;26.74,-49.01,;27.44,-47.64,;26.61,-46.34,;25.79,-45.04,;25.31,-47.17,;27.91,-45.51,)| Show InChI InChI=1S/C32H30F5N3O5/c1-19-28(21-11-7-14-26(29(21)34)45-16-6-5-15-27(41)42)30(43)40(18-25(38)20-9-3-2-4-10-20)31(44)39(19)17-22-23(32(35,36)37)12-8-13-24(22)33/h2-4,7-14,25H,5-6,15-18,38H2,1H3,(H,41,42)/t25-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human GnRH receptor expressed in RBL cells assessed as inhibition of GnRH-stimulated [3H]inositol phosphate hydrolysis by whol... |
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 | |
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