BDBM50140301 CHEMBL19026::N-{(1R,2R)-2-[2-(4-Phenyl-butyl)-2,3-dihydro-benzooxazol-7-yl]-cyclopropylmethyl}-butyramide

SMILES: CCCC(=O)NC[C@@H]1C[C@H]1c1cccc2NC(CCCCc3ccccc3)Oc12

InChI Key: InChIKey=VKTMPSYAAVEMEO-WXFOFVMLSA-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 = 50140301   

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
Melatonin receptor (Homo sapiens (Human))	BDBM50140301 (CHEMBL19026 | N-{(1R,2R)-2-[2-(4-Phenyl-butyl)-2,3...) Show SMILES CCCC(=O)NC[C@@H]1C[C@H]1c1cccc2NC(CCCCc3ccccc3)Oc12 Show InChI InChI=1S/C25H32N2O2/c1-2-9-23(28)26-17-19-16-21(19)20-13-8-14-22-25(20)29-24(27-22)15-7-6-12-18-10-4-3-5-11-18/h3-5,8,10-11,13-14,19,21,24,27H,2,6-7,9,12,15-17H2,1H3,(H,26,28)/t19-,21+,24?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50140301 (CHEMBL19026 | N-{(1R,2R)-2-[2-(4-Phenyl-butyl)-2,3...) Show SMILES CCCC(=O)NC[C@@H]1C[C@H]1c1cccc2NC(CCCCc3ccccc3)Oc12 Show InChI InChI=1S/C25H32N2O2/c1-2-9-23(28)26-17-19-16-21(19)20-13-8-14-22-25(20)29-24(27-22)15-7-6-12-18-10-4-3-5-11-18/h3-5,8,10-11,13-14,19,21,24,27H,2,6-7,9,12,15-17H2,1H3,(H,26,28)/t19-,21+,24?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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