BDBM26482 4-Methylaminomethyl-7-methoxycoumarin::7-methoxy-4-[(methylamino)methyl]-2H-chromen-2-one

SMILES: CNCc1cc(=O)oc2cc(OC)ccc12

InChI Key: InChIKey=GWMGUFTYUOYYQV-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 = 26482   

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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM26482 (4-Methylaminomethyl-7-methoxycoumarin | 7-methoxy-...) Show SMILES CNCc1cc(=O)oc2cc(OC)ccc12 Show InChI InChI=1S/C12H13NO3/c1-13-7-8-5-12(14)16-11-6-9(15-2)3-4-10(8)11/h3-6,13H,7H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				J Med Chem 53: 7129-39 (2010) Article DOI: 10.1021/jm100832d BindingDB Entry DOI: 10.7270/Q2CJ8DQZ
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM26482 (4-Methylaminomethyl-7-methoxycoumarin | 7-methoxy-...) Show SMILES CNCc1cc(=O)oc2cc(OC)ccc12 Show InChI InChI=1S/C12H13NO3/c1-13-7-8-5-12(14)16-11-6-9(15-2)3-4-10(8)11/h3-6,13H,7H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				J Med Chem 53: 374-91 (2010) Article DOI: 10.1021/jm901319p BindingDB Entry DOI: 10.7270/Q2WQ03X8
					More data for this Ligand-Target Pair