BDBM50290002 CHEMBL69521::N-[2-(6-Methoxy-quinolin-4-yl)-ethyl]-acetamide

SMILES: COc1ccc2nccc(CCNC(C)=O)c2c1

InChI Key: InChIKey=XFMITTLNJFUKHR-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 = 50290002   

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))	BDBM50290002 (CHEMBL69521 | N-[2-(6-Methoxy-quinolin-4-yl)-ethyl...) Show SMILES COc1ccc2nccc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C14H16N2O2/c1-10(17)15-7-5-11-6-8-16-14-4-3-12(18-2)9-13(11)14/h3-4,6,8-9H,5,7H2,1-2H3,(H,15,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against human Melatonin receptor type 1B by displacement of [125I]-iodomelatonin stably expressed in CHO cells				Bioorg Med Chem Lett 7: 2177-2180 (1997) Article DOI: 10.1016/S0960-894X(97)00392-2 BindingDB Entry DOI: 10.7270/Q208659R
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50290002 (CHEMBL69521 | N-[2-(6-Methoxy-quinolin-4-yl)-ethyl...) Show SMILES COc1ccc2nccc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C14H16N2O2/c1-10(17)15-7-5-11-6-8-16-14-4-3-12(18-2)9-13(11)14/h3-4,6,8-9H,5,7H2,1-2H3,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against human Melatonin receptor type 1A by displacement of [125I]-iodomelatonin stably expressed in CHO cells				Bioorg Med Chem Lett 7: 2177-2180 (1997) Article DOI: 10.1016/S0960-894X(97)00392-2 BindingDB Entry DOI: 10.7270/Q208659R
					More data for this Ligand-Target Pair