BDBM50229025 CHEMBL4092421

SMILES: CCC(C)(C)C(=O)N(O)Cc1ccccc1

InChI Key: InChIKey=AVYVHIKSFXVDBG-UHFFFAOYSA-N

Data: 6 IC50  2 EC50

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 8 hits for monomerid = 50229025   

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
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50229025 (CHEMBL4092421) Show SMILES CCC(C)(C)C(=O)N(O)Cc1ccccc1 Show InChI InChI=1S/C13H19NO2/c1-4-13(2,3)12(15)14(16)10-11-8-6-5-7-9-11/h5-9,16H,4,10H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	28	n/a	n/a	n/a	n/a
National Institute of Biological Sciences Curated by ChEMBL					Assay Description Inhibition of RIP1 in human HT-29 cells assessed as reduction in TNFalpha/z-VAD-FMK-induced necrosis after 24 hrs by Cell Titer-Glo luminescent cell ...				J Med Chem 60: 972-986 (2017) BindingDB Entry DOI: 10.7270/Q2QC05QD
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Mus musculus)	BDBM50229025 (CHEMBL4092421) Show SMILES CCC(C)(C)C(=O)N(O)Cc1ccccc1 Show InChI InChI=1S/C13H19NO2/c1-4-13(2,3)12(15)14(16)10-11-8-6-5-7-9-11/h5-9,16H,4,10H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	27	n/a	n/a	n/a	n/a
National Institute of Biological Sciences Curated by ChEMBL					Assay Description Inhibition of RIP1 in mouse L929 cells assessed as reduction in TNFalpha/z-VAD-FMK-induced necrosis after 6 hrs by Cell Titer-Glo luminescent cell vi...				J Med Chem 60: 972-986 (2017) BindingDB Entry DOI: 10.7270/Q2QC05QD
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50229025 (CHEMBL4092421) Show SMILES CCC(C)(C)C(=O)N(O)Cc1ccccc1 Show InChI InChI=1S/C13H19NO2/c1-4-13(2,3)12(15)14(16)10-11-8-6-5-7-9-11/h5-9,16H,4,10H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Biological Sciences Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				J Med Chem 60: 972-986 (2017) BindingDB Entry DOI: 10.7270/Q2QC05QD
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50229025 (CHEMBL4092421) Show SMILES CCC(C)(C)C(=O)N(O)Cc1ccccc1 Show InChI InChI=1S/C13H19NO2/c1-4-13(2,3)12(15)14(16)10-11-8-6-5-7-9-11/h5-9,16H,4,10H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Biological Sciences Curated by ChEMBL					Assay Description Inhibition of RIP1 (unknown origin) using MBP as substrate preincubated for 15 mins followed by MBP/ATP mixture addition measured after 90 mins by AD...				J Med Chem 60: 972-986 (2017) BindingDB Entry DOI: 10.7270/Q2QC05QD
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50229025 (CHEMBL4092421) Show SMILES CCC(C)(C)C(=O)N(O)Cc1ccccc1 Show InChI InChI=1S/C13H19NO2/c1-4-13(2,3)12(15)14(16)10-11-8-6-5-7-9-11/h5-9,16H,4,10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Biological Sciences Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				J Med Chem 60: 972-986 (2017) BindingDB Entry DOI: 10.7270/Q2QC05QD
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50229025 (CHEMBL4092421) Show SMILES CCC(C)(C)C(=O)N(O)Cc1ccccc1 Show InChI InChI=1S/C13H19NO2/c1-4-13(2,3)12(15)14(16)10-11-8-6-5-7-9-11/h5-9,16H,4,10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Biological Sciences Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 60: 972-986 (2017) BindingDB Entry DOI: 10.7270/Q2QC05QD
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50229025 (CHEMBL4092421) Show SMILES CCC(C)(C)C(=O)N(O)Cc1ccccc1 Show InChI InChI=1S/C13H19NO2/c1-4-13(2,3)12(15)14(16)10-11-8-6-5-7-9-11/h5-9,16H,4,10H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Biological Sciences Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				J Med Chem 60: 972-986 (2017) BindingDB Entry DOI: 10.7270/Q2QC05QD
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50229025 (CHEMBL4092421) Show SMILES CCC(C)(C)C(=O)N(O)Cc1ccccc1 Show InChI InChI=1S/C13H19NO2/c1-4-13(2,3)12(15)14(16)10-11-8-6-5-7-9-11/h5-9,16H,4,10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Biological Sciences Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				J Med Chem 60: 972-986 (2017) BindingDB Entry DOI: 10.7270/Q2QC05QD
					More data for this Ligand-Target Pair