BDBM50325628 (3-(3,3-dimethylbutyl)pyrrolidin-3-yl)(1H-indazol-5-yl)methanone::CHEMBL1224319

SMILES: CC(C)(C)CCC1(CCNC1)C(=O)c1ccc2[nH]ncc2c1

InChI Key: InChIKey=JXIHZLYRWFFHPQ-UHFFFAOYSA-N

Data: 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 1 hit for monomerid = 50325628   

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))	BDBM50325628 ((3-(3,3-dimethylbutyl)pyrrolidin-3-yl)(1H-indazol-...) Show SMILES CC(C)(C)CCC1(CCNC1)C(=O)c1ccc2[nH]ncc2c1 Show InChI InChI=1S/C18H25N3O/c1-17(2,3)6-7-18(8-9-19-12-18)16(22)13-4-5-15-14(10-13)11-20-21-15/h4-5,10-11,19H,6-9,12H2,1-3H3,(H,20,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 20: 5559-66 (2010) Article DOI: 10.1016/j.bmcl.2010.07.020 BindingDB Entry DOI: 10.7270/Q20865HF
					More data for this Ligand-Target Pair