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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50118451   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melatonin receptor


(Homo sapiens (Human))
BDBM50118451
PNG
(2,2,2-Trifluoro-N-[2-(6-methoxy-2-phenyl-indan-1-y...)
Show SMILES COc1ccc2CC(C(CCNC(=O)C(F)(F)F)c2c1)c1ccccc1
Show InChI InChI=1S/C20H20F3NO2/c1-26-15-8-7-14-11-17(13-5-3-2-4-6-13)16(18(14)12-15)9-10-24-19(25)20(21,22)23/h2-8,12,16-17H,9-11H2,1H3,(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
1.60n/an/an/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.


J Med Chem 45: 4212-21 (2002)


BindingDB Entry DOI: 10.7270/Q2J102HG
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50118451
PNG
(2,2,2-Trifluoro-N-[2-(6-methoxy-2-phenyl-indan-1-y...)
Show SMILES COc1ccc2CC(C(CCNC(=O)C(F)(F)F)c2c1)c1ccccc1
Show InChI InChI=1S/C20H20F3NO2/c1-26-15-8-7-14-11-17(13-5-3-2-4-6-13)16(18(14)12-15)9-10-24-19(25)20(21,22)23/h2-8,12,16-17H,9-11H2,1H3,(H,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
1.77E+3n/an/an/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit 2-[125I]iodomelatonin specific binding to melatonin receptor 3 (MT3) of Syrian hamster brain.


J Med Chem 45: 4212-21 (2002)


BindingDB Entry DOI: 10.7270/Q2J102HG
More data for this
Ligand-Target Pair