Found 2 hits for monomerid = 50272667 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)) | BDBM50272667
((R)-5-(3-(1-(2-fluoro-6-(trifluoromethyl)benzyl)-3...)Show SMILES CN(C)[C@@H](Cn1c(=O)c(c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1cccc(OCCCCC(O)=O)c1F)c1ccccc1 |r,wD:3.2,(-6.99,-28.14,;-5.66,-27.37,;-5.67,-28.91,;-5.66,-25.83,;-4.33,-25.06,;-2.99,-25.82,;-1.67,-25.04,;-1.67,-23.5,;-.34,-25.82,;-.34,-27.36,;1,-28.13,;-1.67,-28.12,;-1.67,-29.66,;-.96,-31.03,;.57,-31.01,;1.32,-29.67,;1.35,-32.33,;.6,-33.68,;-.95,-33.7,;-1.73,-32.37,;-3.27,-32.38,;-4.81,-32.38,;-3.26,-33.92,;-3.27,-30.84,;-2.99,-27.36,;-4.33,-28.13,;.99,-25.06,;2.32,-25.84,;3.66,-25.07,;3.67,-23.53,;2.32,-22.76,;2.32,-21.22,;3.66,-20.45,;3.66,-18.91,;4.99,-18.14,;4.99,-16.6,;6.32,-15.82,;7.66,-16.59,;6.32,-14.28,;.99,-23.53,;-.34,-22.76,;-7,-25.06,;-6.99,-23.53,;-8.33,-22.76,;-9.66,-23.53,;-9.65,-25.08,;-8.32,-25.84,)| Show InChI InChI=1S/C34H34F5N3O5/c1-21-30(23-13-9-16-28(31(23)36)47-18-8-7-17-29(43)44)32(45)42(20-27(40(2)3)22-11-5-4-6-12-22)33(46)41(21)19-24-25(34(37,38)39)14-10-15-26(24)35/h4-6,9-16,27H,7-8,17-20H2,1-3H3,(H,43,44)/t27-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15 | 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)) | BDBM50272667
((R)-5-(3-(1-(2-fluoro-6-(trifluoromethyl)benzyl)-3...)Show SMILES CN(C)[C@@H](Cn1c(=O)c(c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1cccc(OCCCCC(O)=O)c1F)c1ccccc1 |r,wD:3.2,(-6.99,-28.14,;-5.66,-27.37,;-5.67,-28.91,;-5.66,-25.83,;-4.33,-25.06,;-2.99,-25.82,;-1.67,-25.04,;-1.67,-23.5,;-.34,-25.82,;-.34,-27.36,;1,-28.13,;-1.67,-28.12,;-1.67,-29.66,;-.96,-31.03,;.57,-31.01,;1.32,-29.67,;1.35,-32.33,;.6,-33.68,;-.95,-33.7,;-1.73,-32.37,;-3.27,-32.38,;-4.81,-32.38,;-3.26,-33.92,;-3.27,-30.84,;-2.99,-27.36,;-4.33,-28.13,;.99,-25.06,;2.32,-25.84,;3.66,-25.07,;3.67,-23.53,;2.32,-22.76,;2.32,-21.22,;3.66,-20.45,;3.66,-18.91,;4.99,-18.14,;4.99,-16.6,;6.32,-15.82,;7.66,-16.59,;6.32,-14.28,;.99,-23.53,;-.34,-22.76,;-7,-25.06,;-6.99,-23.53,;-8.33,-22.76,;-9.66,-23.53,;-9.65,-25.08,;-8.32,-25.84,)| Show InChI InChI=1S/C34H34F5N3O5/c1-21-30(23-13-9-16-28(31(23)36)47-18-8-7-17-29(43)44)32(45)42(20-27(40(2)3)22-11-5-4-6-12-22)33(46)41(21)19-24-25(34(37,38)39)14-10-15-26(24)35/h4-6,9-16,27H,7-8,17-20H2,1-3H3,(H,43,44)/t27-/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 | 4.20E+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 | |
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