Found 2 hits for monomerid = 50272673 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)) | BDBM50272673
((R)-2-(3-(3-(1-(2-fluoro-6-(trifluoromethyl)benzyl...)Show SMILES CN[C@@H](Cn1c(=O)c(c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1cccc(OCCCOCC(O)=O)c1F)c1ccccc1 |r,wD:2.1,(-8.75,-49.23,;-7.42,-48.46,;-7.42,-46.92,;-6.09,-46.14,;-4.75,-46.91,;-3.42,-46.13,;-3.42,-44.59,;-2.09,-46.91,;-2.09,-48.45,;-.76,-49.22,;-3.42,-49.21,;-3.42,-50.75,;-4.21,-52.08,;-3.37,-53.36,;-1.84,-53.28,;-4.07,-54.73,;-5.62,-54.81,;-6.45,-53.52,;-5.75,-52.15,;-6.58,-50.85,;-7.4,-49.55,;-7.88,-51.68,;-5.28,-50.03,;-4.75,-48.45,;-6.08,-49.22,;-.76,-46.15,;.57,-46.92,;1.9,-46.16,;1.91,-44.62,;.57,-43.84,;.57,-42.3,;1.9,-41.53,;1.9,-39.99,;3.23,-39.22,;3.23,-37.68,;4.56,-36.91,;5.9,-37.68,;5.9,-39.22,;7.23,-36.91,;-.76,-44.61,;-2.1,-43.84,;-8.76,-46.15,;-8.75,-44.61,;-10.09,-43.85,;-11.43,-44.62,;-11.42,-46.17,;-10.08,-46.93,)| Show InChI InChI=1S/C33H32F5N3O6/c1-20-29(22-11-6-14-27(30(22)35)47-16-8-15-46-19-28(42)43)31(44)41(18-26(39-2)21-9-4-3-5-10-21)32(45)40(20)17-23-24(33(36,37)38)12-7-13-25(23)34/h3-7,9-14,26,39H,8,15-19H2,1-2H3,(H,42,43)/t26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 38 | 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 | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50272673
((R)-2-(3-(3-(1-(2-fluoro-6-(trifluoromethyl)benzyl...)Show SMILES CN[C@@H](Cn1c(=O)c(c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1cccc(OCCCOCC(O)=O)c1F)c1ccccc1 |r,wD:2.1,(-8.75,-49.23,;-7.42,-48.46,;-7.42,-46.92,;-6.09,-46.14,;-4.75,-46.91,;-3.42,-46.13,;-3.42,-44.59,;-2.09,-46.91,;-2.09,-48.45,;-.76,-49.22,;-3.42,-49.21,;-3.42,-50.75,;-4.21,-52.08,;-3.37,-53.36,;-1.84,-53.28,;-4.07,-54.73,;-5.62,-54.81,;-6.45,-53.52,;-5.75,-52.15,;-6.58,-50.85,;-7.4,-49.55,;-7.88,-51.68,;-5.28,-50.03,;-4.75,-48.45,;-6.08,-49.22,;-.76,-46.15,;.57,-46.92,;1.9,-46.16,;1.91,-44.62,;.57,-43.84,;.57,-42.3,;1.9,-41.53,;1.9,-39.99,;3.23,-39.22,;3.23,-37.68,;4.56,-36.91,;5.9,-37.68,;5.9,-39.22,;7.23,-36.91,;-.76,-44.61,;-2.1,-43.84,;-8.76,-46.15,;-8.75,-44.61,;-10.09,-43.85,;-11.43,-44.62,;-11.42,-46.17,;-10.08,-46.93,)| Show InChI InChI=1S/C33H32F5N3O6/c1-20-29(22-11-6-14-27(30(22)35)47-16-8-15-46-19-28(42)43)31(44)41(18-26(39-2)21-9-4-3-5-10-21)32(45)40(20)17-23-24(33(36,37)38)12-7-13-25(23)34/h3-7,9-14,26,39H,8,15-19H2,1-2H3,(H,42,43)/t26-/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 | 2.20E+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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