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BDBM50140296 CHEMBL553105::N-[(1R,2R)-2-(2-Isopropyl-2,3-dihydro-benzooxazol-7-yl)-cyclopropylmethyl]-butyramide

SMILES: CCCC(=O)NC[C@@H]1C[C@H]1c1cccc2NC(Oc12)C(C)C

InChI Key: InChIKey=CBAKPQVJBXAZRP-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 = 50140296   
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))
BDBM50140296
PNG
(CHEMBL553105 | N-[(1R,2R)-2-(2-Isopropyl-2,3-dihyd...)
Show SMILES CCCC(=O)NC[C@@H]1C[C@H]1c1cccc2NC(Oc12)C(C)C
Show InChI InChI=1S/C18H26N2O2/c1-4-6-16(21)19-10-12-9-14(12)13-7-5-8-15-17(13)22-18(20-15)11(2)3/h5,7-8,11-12,14,18,20H,4,6,9-10H2,1-3H3,(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
0.800n/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
Melatonin receptor


(Homo sapiens (Human))
BDBM50140296
PNG
(CHEMBL553105 | N-[(1R,2R)-2-(2-Isopropyl-2,3-dihyd...)
Show SMILES CCCC(=O)NC[C@@H]1C[C@H]1c1cccc2NC(Oc12)C(C)C
Show InChI InChI=1S/C18H26N2O2/c1-4-6-16(21)19-10-12-9-14(12)13-7-5-8-15-17(13)22-18(20-15)11(2)3/h5,7-8,11-12,14,18,20H,4,6,9-10H2,1-3H3,(H,19,21)/t12-,14+,18?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.80n/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