BDBM50325618 (3-butyl pyrrolidin-3-yl)(7-fluoro-1H-indol-5-yl)methanone::(3-butylpyrrolidin-3-yl)(7-fluoro-1H-indol-5-yl)methanone::CHEMBL1224492

SMILES: CCCCC1(CCNC1)C(=O)c1cc(F)c2[nH]ccc2c1

InChI Key: InChIKey=INEHYFAMZQPYDY-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 = 50325618   

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))	BDBM50325618 ((3-butyl pyrrolidin-3-yl)(7-fluoro-1H-indol-5-yl)m...) Show SMILES CCCCC1(CCNC1)C(=O)c1cc(F)c2[nH]ccc2c1 Show InChI InChI=1S/C17H21FN2O/c1-2-3-5-17(6-8-19-11-17)16(21)13-9-12-4-7-20-15(12)14(18)10-13/h4,7,9-10,19-20H,2-3,5-6,8,11H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	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))	BDBM50325618 ((3-butyl pyrrolidin-3-yl)(7-fluoro-1H-indol-5-yl)m...) Show SMILES CCCCC1(CCNC1)C(=O)c1cc(F)c2[nH]ccc2c1 Show InChI InChI=1S/C17H21FN2O/c1-2-3-5-17(6-8-19-11-17)16(21)13-9-12-4-7-20-15(12)14(18)10-13/h4,7,9-10,19-20H,2-3,5-6,8,11H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	750	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