BDBM80137 3-(4-Fluoro-phenyl)-4,5-dihydro-isoxazole-5-carboxylic acid::3-(4-fluorophenyl)-2-isoxazoline-5-carboxylic acid::3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid::3-(4-fluorophenyl)-4,5-dihydroisoxazole-5-carboxylic acid::MLS000067264::SMR000124761::cid_2981857

SMILES: OC(=O)C1CC(=NO1)c1ccc(F)cc1

InChI Key: InChIKey=PBZBMHSUDXPYCP-UHFFFAOYSA-N

Data: 1 IC50  8 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 9 hits for monomerid = 80137   

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
DNA dC->dU-editing enzyme APOBEC-3G (Homo sapiens (Human))	BDBM80137 (3-(4-Fluoro-phenyl)-4,5-dihydro-isoxazole-5-carbox...) Show SMILES OC(=O)C1CC(=NO1)c1ccc(F)cc1 |c:5| Show InChI InChI=1S/C10H8FNO3/c11-7-3-1-6(2-4-7)8-5-9(10(13)14)15-12-8/h1-4,9H,5H2,(H,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.09E+4	n/a	n/a	n/a	n/a	n/a	25
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2HQ3XD6
					More data for this Ligand-Target Pair
Apoptotic peptidase activating factor 1 (Homo sapiens (Human))	BDBM80137 (3-(4-Fluoro-phenyl)-4,5-dihydro-isoxazole-5-carbox...) Show SMILES OC(=O)C1CC(=NO1)c1ccc(F)cc1 |c:5| Show InChI InChI=1S/C10H8FNO3/c11-7-3-1-6(2-4-7)8-5-9(10(13)14)15-12-8/h1-4,9H,5H2,(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2SB447H
					More data for this Ligand-Target Pair
Apoptotic peptidase activating factor 1 (Homo sapiens (Human))	BDBM80137 (3-(4-Fluoro-phenyl)-4,5-dihydro-isoxazole-5-carbox...) Show SMILES OC(=O)C1CC(=NO1)c1ccc(F)cc1 |c:5| Show InChI InChI=1S/C10H8FNO3/c11-7-3-1-6(2-4-7)8-5-9(10(13)14)15-12-8/h1-4,9H,5H2,(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.45E+3	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q29C6VXX
					More data for this Ligand-Target Pair
Apoptotic peptidase activating factor 1 (Homo sapiens (Human))	BDBM80137 (3-(4-Fluoro-phenyl)-4,5-dihydro-isoxazole-5-carbox...) Show SMILES OC(=O)C1CC(=NO1)c1ccc(F)cc1 |c:5| Show InChI InChI=1S/C10H8FNO3/c11-7-3-1-6(2-4-7)8-5-9(10(13)14)15-12-8/h1-4,9H,5H2,(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.39E+3	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q24F1PBG
					More data for this Ligand-Target Pair
Caspase-9 (Homo sapiens (Human))	BDBM80137 (3-(4-Fluoro-phenyl)-4,5-dihydro-isoxazole-5-carbox...) Show SMILES OC(=O)C1CC(=NO1)c1ccc(F)cc1 |c:5| Show InChI InChI=1S/C10H8FNO3/c11-7-3-1-6(2-4-7)8-5-9(10(13)14)15-12-8/h1-4,9H,5H2,(H,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.90E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q20P0XMR
					More data for this Ligand-Target Pair
Apoptotic peptidase activating factor 1 (Homo sapiens (Human))	BDBM80137 (3-(4-Fluoro-phenyl)-4,5-dihydro-isoxazole-5-carbox...) Show SMILES OC(=O)C1CC(=NO1)c1ccc(F)cc1 |c:5| Show InChI InChI=1S/C10H8FNO3/c11-7-3-1-6(2-4-7)8-5-9(10(13)14)15-12-8/h1-4,9H,5H2,(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.90E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q24F1PBG
					More data for this Ligand-Target Pair
Caspase-9 (Homo sapiens (Human))	BDBM80137 (3-(4-Fluoro-phenyl)-4,5-dihydro-isoxazole-5-carbox...) Show SMILES OC(=O)C1CC(=NO1)c1ccc(F)cc1 |c:5| Show InChI InChI=1S/C10H8FNO3/c11-7-3-1-6(2-4-7)8-5-9(10(13)14)15-12-8/h1-4,9H,5H2,(H,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q20P0XMR
					More data for this Ligand-Target Pair
Caspase-9 (Homo sapiens (Human))	BDBM80137 (3-(4-Fluoro-phenyl)-4,5-dihydro-isoxazole-5-carbox...) Show SMILES OC(=O)C1CC(=NO1)c1ccc(F)cc1 |c:5| Show InChI InChI=1S/C10H8FNO3/c11-7-3-1-6(2-4-7)8-5-9(10(13)14)15-12-8/h1-4,9H,5H2,(H,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.90E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q20P0XMR
					More data for this Ligand-Target Pair
Apoptotic peptidase activating factor 1 (Homo sapiens (Human))	BDBM80137 (3-(4-Fluoro-phenyl)-4,5-dihydro-isoxazole-5-carbox...) Show SMILES OC(=O)C1CC(=NO1)c1ccc(F)cc1 |c:5| Show InChI InChI=1S/C10H8FNO3/c11-7-3-1-6(2-4-7)8-5-9(10(13)14)15-12-8/h1-4,9H,5H2,(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.86E+3	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q24F1PBG
					More data for this Ligand-Target Pair