BDBM50325620 (3-(3,3-dimethylbutyl)pyrrolidin-3-yl)(7-fluoro-1H-indol-5-yl)methanone::(3-(3,3-dimethylbutyl)pyrrolidin-3yl)(7-fluoro-1H-indol-5-yl)methanone::CHEMBL1224321

SMILES: CC(C)(C)CCC1(CCNC1)C(=O)c1cc(F)c2[nH]ccc2c1

InChI Key: InChIKey=MJCKYDPFUPMINT-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50325620   

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))	BDBM50325620 ((3-(3,3-dimethylbutyl)pyrrolidin-3-yl)(7-fluoro-1H...) Show SMILES CC(C)(C)CCC1(CCNC1)C(=O)c1cc(F)c2[nH]ccc2c1 Show InChI InChI=1S/C19H25FN2O/c1-18(2,3)5-6-19(7-9-21-12-19)17(23)14-10-13-4-8-22-16(13)15(20)11-14/h4,8,10-11,21-22H,5-7,9,12H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	600	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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50325620 ((3-(3,3-dimethylbutyl)pyrrolidin-3-yl)(7-fluoro-1H...) Show SMILES CC(C)(C)CCC1(CCNC1)C(=O)c1cc(F)c2[nH]ccc2c1 Show InChI InChI=1S/C19H25FN2O/c1-18(2,3)5-6-19(7-9-21-12-19)17(23)14-10-13-4-8-22-16(13)15(20)11-14/h4,8,10-11,21-22H,5-7,9,12H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+3	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