BDBM50149181 CHEMBL334079::Cyclopropanecarboxylic acid {3-[2-(4-phenyl-butyl)-benzooxazol-7-yl]-propyl}-amide

SMILES: O=C(NCCCc1cccc2nc(CCCCc3ccccc3)oc12)C1CC1

InChI Key: InChIKey=UMBJPTCDLBHBPS-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50149181   

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))	BDBM50149181 (CHEMBL334079 | Cyclopropanecarboxylic acid {3-[2-(...) Show SMILES O=C(NCCCc1cccc2nc(CCCCc3ccccc3)oc12)C1CC1 Show InChI InChI=1S/C24H28N2O2/c27-24(20-15-16-20)25-17-7-12-19-11-6-13-21-23(19)28-22(26-21)14-5-4-10-18-8-2-1-3-9-18/h1-3,6,8-9,11,13,20H,4-5,7,10,12,14-17H2,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.630	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 affinity against human Melatonin receptor type 1A by using 2-[125I]-iodomelatonin as radioligand				Bioorg Med Chem Lett 14: 3799-802 (2004) Article DOI: 10.1016/j.bmcl.2004.04.082 BindingDB Entry DOI: 10.7270/Q2S75FSR
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50149181 (CHEMBL334079 | Cyclopropanecarboxylic acid {3-[2-(...) Show SMILES O=C(NCCCc1cccc2nc(CCCCc3ccccc3)oc12)C1CC1 Show InChI InChI=1S/C24H28N2O2/c27-24(20-15-16-20)25-17-7-12-19-11-6-13-21-23(19)28-22(26-21)14-5-4-10-18-8-2-1-3-9-18/h1-3,6,8-9,11,13,20H,4-5,7,10,12,14-17H2,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The German University in Cairo Curated by ChEMBL					Assay Description Displacement of [125I]2-iodomelatonin from human MT1 receptor expressed in CHO cells				J Med Chem 57: 3161-85 (2014) Article DOI: 10.1021/jm401343c BindingDB Entry DOI: 10.7270/Q218381K
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50149181 (CHEMBL334079 | Cyclopropanecarboxylic acid {3-[2-(...) Show SMILES O=C(NCCCc1cccc2nc(CCCCc3ccccc3)oc12)C1CC1 Show InChI InChI=1S/C24H28N2O2/c27-24(20-15-16-20)25-17-7-12-19-11-6-13-21-23(19)28-22(26-21)14-5-4-10-18-8-2-1-3-9-18/h1-3,6,8-9,11,13,20H,4-5,7,10,12,14-17H2,(H,25,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	22	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 affinity against human Melatonin receptor type 1B by using 2-[125I]-iodomelatonin as radioligand				Bioorg Med Chem Lett 14: 3799-802 (2004) Article DOI: 10.1016/j.bmcl.2004.04.082 BindingDB Entry DOI: 10.7270/Q2S75FSR
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50149181 (CHEMBL334079 | Cyclopropanecarboxylic acid {3-[2-(...) Show SMILES O=C(NCCCc1cccc2nc(CCCCc3ccccc3)oc12)C1CC1 Show InChI InChI=1S/C24H28N2O2/c27-24(20-15-16-20)25-17-7-12-19-11-6-13-21-23(19)28-22(26-21)14-5-4-10-18-8-2-1-3-9-18/h1-3,6,8-9,11,13,20H,4-5,7,10,12,14-17H2,(H,25,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The German University in Cairo Curated by ChEMBL					Assay Description Displacement of [125I]2-iodomelatonin from human MT2 receptor expressed in CHO cells				J Med Chem 57: 3161-85 (2014) Article DOI: 10.1021/jm401343c BindingDB Entry DOI: 10.7270/Q218381K
					More data for this Ligand-Target Pair