BDBM50025152 3-(4-Amino-phenyl)-3-ethyl-pyrrolidine-2,5-dione::CHEMBL151212

SMILES: CCC1(CC(=O)NC1=O)c1ccc(N)cc1

InChI Key: InChIKey=QPJZAHJMZUCFMF-UHFFFAOYSA-N

Data: 1 KI  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 3 hits for monomerid = 50025152   

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 19A1 (Homo sapiens (Human))	BDBM50025152 (3-(4-Amino-phenyl)-3-ethyl-pyrrolidine-2,5-dione |...) Show SMILES CCC1(CC(=O)NC1=O)c1ccc(N)cc1 Show InChI InChI=1S/C12H14N2O2/c1-2-12(7-10(15)14-11(12)16)8-3-5-9(13)6-4-8/h3-6H,2,7,13H2,1H3,(H,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Cytochrome P450 19A1 against testosterone at 1.5 uM (Km=0.13 uM)				J Med Chem 29: 520-3 (1986) BindingDB Entry DOI: 10.7270/Q28051MG
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50025152 (3-(4-Amino-phenyl)-3-ethyl-pyrrolidine-2,5-dione |...) Show SMILES CCC1(CC(=O)NC1=O)c1ccc(N)cc1 Show InChI InChI=1S/C12H14N2O2/c1-2-12(7-10(15)14-11(12)16)8-3-5-9(13)6-4-8/h3-6H,2,7,13H2,1H3,(H,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Cytochrome P450 19A1 against testosterone at 1.5 uM (Km=0.13 uM)				J Med Chem 29: 520-3 (1986) BindingDB Entry DOI: 10.7270/Q28051MG
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50025152 (3-(4-Amino-phenyl)-3-ethyl-pyrrolidine-2,5-dione |...) Show SMILES CCC1(CC(=O)NC1=O)c1ccc(N)cc1 Show InChI InChI=1S/C12H14N2O2/c1-2-12(7-10(15)14-11(12)16)8-3-5-9(13)6-4-8/h3-6H,2,7,13H2,1H3,(H,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Cytochrome P450 19A1 against testosterone at 1.5 uM (Km=0.13 uM)				J Med Chem 29: 520-3 (1986) BindingDB Entry DOI: 10.7270/Q28051MG
					More data for this Ligand-Target Pair