BDBM50140298 1-[(1R,2R)-2-(2-Isopropyl-2,3-dihydro-benzooxazol-7-yl)-cyclopropylmethyl]-3-methyl-urea::CHEMBL19237

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

InChI Key: InChIKey=LUMLPSQDBFEZGL-QFZKOWMDSA-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 = 50140298   

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))	BDBM50140298 (1-[(1R,2R)-2-(2-Isopropyl-2,3-dihydro-benzooxazol-...) Show SMILES CNC(=O)NC[C@@H]1C[C@H]1c1cccc2NC(Oc12)C(C)C Show InChI InChI=1S/C16H23N3O2/c1-9(2)15-19-13-6-4-5-11(14(13)21-15)12-7-10(12)8-18-16(20)17-3/h4-6,9-10,12,15,19H,7-8H2,1-3H3,(H2,17,18,20)/t10-,12+,15?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	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))	BDBM50140298 (1-[(1R,2R)-2-(2-Isopropyl-2,3-dihydro-benzooxazol-...) Show SMILES CNC(=O)NC[C@@H]1C[C@H]1c1cccc2NC(Oc12)C(C)C Show InChI InChI=1S/C16H23N3O2/c1-9(2)15-19-13-6-4-5-11(14(13)21-15)12-7-10(12)8-18-16(20)17-3/h4-6,9-10,12,15,19H,7-8H2,1-3H3,(H2,17,18,20)/t10-,12+,15?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	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