BDBM50047018 8-Methyl-5,6,7,7a,8,9,11a,12,12a,13-decahydro-6a,9,13-triaza-indeno[2,1-a]anthracene-11-carboxylic acid methyl ester::CHEMBL278038

SMILES: COC(=O)C1C=NC(C)C2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12

InChI Key: InChIKey=FOJDNZXXDIBNGC-GJRLMASNSA-N

Data: 1 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 1 hit for monomerid = 50047018   

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))	BDBM50047018 (8-Methyl-5,6,7,7a,8,9,11a,12,12a,13-decahydro-6a,9...) Show SMILES COC(=O)C1C=NC(C)C2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |c:5| Show InChI InChI=1S/C21H25N3O2/c1-12-17-11-24-8-7-14-13-5-3-4-6-18(13)23-20(14)19(24)9-15(17)16(10-22-12)21(25)26-2/h3-6,10,12,15-17,19,23H,7-9,11H2,1-2H3/t12?,15-,16?,17?,19+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Toxikologie Curated by ChEMBL					Assay Description Inhibitory effect on Bufuralol 1'-hydroxylation by human liver microsomes (Ki = apparent inhibition constant)				J Med Chem 36: 1136-45 (1993) BindingDB Entry DOI: 10.7270/Q2GM87X6
					More data for this Ligand-Target Pair