BDBM50112201 CHEMBL53622::N-(2-(5-methoxy-1-methyl-4-nitro-1H-indol-3-yl)ethyl)acetamide::N-[2-(5-Methoxy-1-methyl-4-nitro-1H-indol-3-yl)-ethyl]-acetamide

SMILES: COc1ccc2n(C)cc(CCNC(C)=O)c2c1[N+]([O-])=O

InChI Key: InChIKey=USKJEFUUVUZOGP-UHFFFAOYSA-N

Data: 3 KI  1 IC50

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 = 50112201   

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
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50112201 (CHEMBL53622 | N-(2-(5-methoxy-1-methyl-4-nitro-1H-...) Show SMILES COc1ccc2n(C)cc(CCNC(C)=O)c2c1[N+]([O-])=O Show InChI InChI=1S/C14H17N3O4/c1-9(18)15-7-6-10-8-16(2)11-4-5-12(21-3)14(13(10)11)17(19)20/h4-5,8H,6-7H2,1-3H3,(H,15,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.310	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
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50112201 (CHEMBL53622 | N-(2-(5-methoxy-1-methyl-4-nitro-1H-...) Show SMILES COc1ccc2n(C)cc(CCNC(C)=O)c2c1[N+]([O-])=O Show InChI InChI=1S/C14H17N3O4/c1-9(18)15-7-6-10-8-16(2)11-4-5-12(21-3)14(13(10)11)17(19)20/h4-5,8H,6-7H2,1-3H3,(H,15,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	194	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))	BDBM50112201 (CHEMBL53622 | N-(2-(5-methoxy-1-methyl-4-nitro-1H-...) Show SMILES COc1ccc2n(C)cc(CCNC(C)=O)c2c1[N+]([O-])=O Show InChI InChI=1S/C14H17N3O4/c1-9(18)15-7-6-10-8-16(2)11-4-5-12(21-3)14(13(10)11)17(19)20/h4-5,8H,6-7H2,1-3H3,(H,15,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.56E+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 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))	BDBM50112201 (CHEMBL53622 | N-(2-(5-methoxy-1-methyl-4-nitro-1H-...) Show SMILES COc1ccc2n(C)cc(CCNC(C)=O)c2c1[N+]([O-])=O Show InChI InChI=1S/C14H17N3O4/c1-9(18)15-7-6-10-8-16(2)11-4-5-12(21-3)14(13(10)11)17(19)20/h4-5,8H,6-7H2,1-3H3,(H,15,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.309	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from MT3/QR2 melatonin binding site expressed in CHO cells				Eur J Med Chem 43: 2861-9 (2008) Article DOI: 10.1016/j.ejmech.2008.02.012 BindingDB Entry DOI: 10.7270/Q21C1Z31
					More data for this Ligand-Target Pair