Found 2 hits for monomerid = 50121479 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
(Rattus norvegicus) | BDBM50121479
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCC(CNc3nccc(NCC4CCCO4)n3)CC1)C(C)(C)CCC2(C)C |(-3.76,-4.21,;-5.12,-3.49,;-6.47,-4.21,;-7.83,-3.49,;-7.83,-2.07,;-6.47,-1.34,;-5.12,-2.05,;-3.76,-1.33,;-2.4,-2.05,;-2.4,-3.49,;.31,-3.49,;.31,-2.05,;-1.04,-1.33,;1.68,-1.34,;1.68,.1,;3.04,-2.07,;4.52,-1.18,;6.02,-2.01,;6.47,-3.67,;8.11,-4.11,;9.34,-2.9,;11.02,-3.36,;12.51,-2.48,;13.86,-1.76,;13.86,-.32,;15.22,.38,;16.58,-.32,;16.58,-1.76,;18.05,-2.65,;19.56,-1.83,;21.05,-2.72,;21.05,-4.43,;22.54,-5.29,;24.03,-2.72,;22.54,-1.86,;15.22,-2.48,;8.9,-1.24,;7.22,-.79,;-9.19,-1.34,;-10.55,-.63,;-7.83,-.61,;-10.53,-2.07,;-10.53,-3.5,;-9.19,-4.21,;-7.83,-4.92,;-10.55,-4.91,)| Show InChI InChI=1S/C38H53N5O3/c1-25-19-31-32(38(4,5)16-15-37(31,2)3)21-28(25)20-29-12-13-33(46-29)35(44)41-22-26-8-10-27(11-9-26)23-42-36-39-17-14-34(43-36)40-24-30-7-6-18-45-30/h12-14,17,19,21,26-27,30H,6-11,15-16,18,20,22-24H2,1-5H3,(H,41,44)(H2,39,40,42,43) | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro binding affinity towards rat gonadotropin-releasing hormone receptor |
Bioorg Med Chem Lett 12: 3635-9 (2002)
BindingDB Entry DOI: 10.7270/Q2XK8DXZ |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50121479
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCC(CNc3nccc(NCC4CCCO4)n3)CC1)C(C)(C)CCC2(C)C |(-3.76,-4.21,;-5.12,-3.49,;-6.47,-4.21,;-7.83,-3.49,;-7.83,-2.07,;-6.47,-1.34,;-5.12,-2.05,;-3.76,-1.33,;-2.4,-2.05,;-2.4,-3.49,;.31,-3.49,;.31,-2.05,;-1.04,-1.33,;1.68,-1.34,;1.68,.1,;3.04,-2.07,;4.52,-1.18,;6.02,-2.01,;6.47,-3.67,;8.11,-4.11,;9.34,-2.9,;11.02,-3.36,;12.51,-2.48,;13.86,-1.76,;13.86,-.32,;15.22,.38,;16.58,-.32,;16.58,-1.76,;18.05,-2.65,;19.56,-1.83,;21.05,-2.72,;21.05,-4.43,;22.54,-5.29,;24.03,-2.72,;22.54,-1.86,;15.22,-2.48,;8.9,-1.24,;7.22,-.79,;-9.19,-1.34,;-10.55,-.63,;-7.83,-.61,;-10.53,-2.07,;-10.53,-3.5,;-9.19,-4.21,;-7.83,-4.92,;-10.55,-4.91,)| Show InChI InChI=1S/C38H53N5O3/c1-25-19-31-32(38(4,5)16-15-37(31,2)3)21-28(25)20-29-12-13-33(46-29)35(44)41-22-26-8-10-27(11-9-26)23-42-36-39-17-14-34(43-36)40-24-30-7-6-18-45-30/h12-14,17,19,21,26-27,30H,6-11,15-16,18,20,22-24H2,1-5H3,(H,41,44)(H2,39,40,42,43) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 74 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro binding affinity towards human gonadotropin-releasing hormone receptor |
Bioorg Med Chem Lett 12: 3635-9 (2002)
BindingDB Entry DOI: 10.7270/Q2XK8DXZ |
More data for this
Ligand-Target Pair | |
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