BDBM50061569 CHEMBL131919::Chloro-acetic acid 7-methoxy-1-(2-propionylamino-ethyl)-naphthalen-2-yl ester

SMILES: CCC(=O)NCCc1c(OC(=O)CCl)ccc2ccc(OC)cc12

InChI Key: InChIKey=VCUPVUDJKVDTBD-UHFFFAOYSA-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 = 50061569   

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))	BDBM50061569 (CHEMBL131919 | Chloro-acetic acid 7-methoxy-1-(2-p...) Show SMILES CCC(=O)NCCc1c(OC(=O)CCl)ccc2ccc(OC)cc12 Show InChI InChI=1S/C18H20ClNO4/c1-3-17(21)20-9-8-14-15-10-13(23-2)6-4-12(15)5-7-16(14)24-18(22)11-19/h4-7,10H,3,8-9,11H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of the 2-[125I]- iodomelatonin binding to Melatonin receptor type 1B expressed in CHO cells				J Med Chem 40: 4195-8 (1998) Article DOI: 10.1021/jm970437q BindingDB Entry DOI: 10.7270/Q2930S90
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50061569 (CHEMBL131919 | Chloro-acetic acid 7-methoxy-1-(2-p...) Show SMILES CCC(=O)NCCc1c(OC(=O)CCl)ccc2ccc(OC)cc12 Show InChI InChI=1S/C18H20ClNO4/c1-3-17(21)20-9-8-14-15-10-13(23-2)6-4-12(15)5-7-16(14)24-18(22)11-19/h4-7,10H,3,8-9,11H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of the 2-[125I]- iodomelatonin binding to Melatonin receptor type 1A expressed in CHO cells				J Med Chem 40: 4195-8 (1998) Article DOI: 10.1021/jm970437q BindingDB Entry DOI: 10.7270/Q2930S90
					More data for this Ligand-Target Pair