BDBM50112207 CHEMBL300729::N-[2-(5-Methoxy-7-nitro-1H-indol-3-yl)-ethyl]-acetamide

SMILES: COc1cc([N+]([O-])=O)c2[nH]cc(CCNC(C)=O)c2c1

InChI Key: InChIKey=ASWXVGFQQDLSDJ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50112207   

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 type 1B (Homo sapiens (Human))	BDBM50112207 (CHEMBL300729 | N-[2-(5-Methoxy-7-nitro-1H-indol-3-...) Show SMILES COc1cc([N+]([O-])=O)c2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H15N3O4/c1-8(17)14-4-3-9-7-15-13-11(9)5-10(20-2)6-12(13)16(18)19/h5-7,15H,3-4H2,1-2H3,(H,14,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie Pharmaceutique Albert Lespagnol Curated by ChEMBL					Assay Description Inhibition of 2-[125I]iodomelatonin binding to human Melatonin receptor type 1B expressed in HEK293 cells				J Med Chem 45: 1853-9 (2002) BindingDB Entry DOI: 10.7270/Q2V69HX5
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50112207 (CHEMBL300729 | N-[2-(5-Methoxy-7-nitro-1H-indol-3-...) Show SMILES COc1cc([N+]([O-])=O)c2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H15N3O4/c1-8(17)14-4-3-9-7-15-13-11(9)5-10(20-2)6-12(13)16(18)19/h5-7,15H,3-4H2,1-2H3,(H,14,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie Pharmaceutique Albert Lespagnol Curated by ChEMBL					Assay Description Inhibition of 2-[125I]iodomelatonin binding to human Melatonin receptor type 1A expressed in HEK293 cells				J Med Chem 45: 1853-9 (2002) BindingDB Entry DOI: 10.7270/Q2V69HX5
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50112207 (CHEMBL300729 | N-[2-(5-Methoxy-7-nitro-1H-indol-3-...) Show SMILES COc1cc([N+]([O-])=O)c2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H15N3O4/c1-8(17)14-4-3-9-7-15-13-11(9)5-10(20-2)6-12(13)16(18)19/h5-7,15H,3-4H2,1-2H3,(H,14,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie Pharmaceutique Albert Lespagnol Curated by ChEMBL					Assay Description Inhibition of 2-[125I]iodomelatonin binding to Melatonin receptor 3 (MT3) of Syrian hamster brain membrane				J Med Chem 45: 1853-9 (2002) BindingDB Entry DOI: 10.7270/Q2V69HX5
					More data for this Ligand-Target Pair