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BDBM50140306 CHEMBL19441::N-[(1R,2R)-2-(2-Isopropyl-2,3-dihydro-benzooxazol-7-yl)-cyclopropylmethyl]-isobutyramide

SMILES: CC(C)C1Nc2cccc([C@@H]3C[C@H]3CNC(=O)C(C)C)c2O1

InChI Key: InChIKey=PXJSMPVUERYGLL-CKZVMRIZSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50140306   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Melatonin receptor


(Homo sapiens (Human))
BDBM50140306
PNG
(CHEMBL19441 | N-[(1R,2R)-2-(2-Isopropyl-2,3-dihydr...)
Show SMILES CC(C)C1Nc2cccc([C@@H]3C[C@H]3CNC(=O)C(C)C)c2O1
Show InChI InChI=1S/C18H26N2O2/c1-10(2)17(21)19-9-12-8-14(12)13-6-5-7-15-16(13)22-18(20-15)11(3)4/h5-7,10-12,14,18,20H,8-9H2,1-4H3,(H,19,21)/t12-,14+,18?/m0/s1
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50140306
PNG
(CHEMBL19441 | N-[(1R,2R)-2-(2-Isopropyl-2,3-dihydr...)
Show SMILES CC(C)C1Nc2cccc([C@@H]3C[C@H]3CNC(=O)C(C)C)c2O1
Show InChI InChI=1S/C18H26N2O2/c1-10(2)17(21)19-9-12-8-14(12)13-6-5-7-15-16(13)22-18(20-15)11(3)4/h5-7,10-12,14,18,20H,8-9H2,1-4H3,(H,19,21)/t12-,14+,18?/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair