BindingDB PrimarySearch

BDBM5097 1,2,4-Oxadiazole Analogue 5f::4-[(2S)-2-acetamido-2-{[(1S)-1-(3-{[4-(trifluoromethyl)phenyl]methyl}-1,2,4-oxadiazol-5-yl)ethyl]carbamoyl}ethyl]phenoxyphosphonic acid::CHEMBL103838

SMILES: C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)c1nc(Cc2ccc(cc2)C(F)(F)F)no1

InChI Key: InChIKey=KVCLASFFEYSLKL-DJJJIMSYSA-N

Data: 6 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 5097
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Tyrosine-protein kinase ZAP-70 (Homo sapiens (Human))	BDBM5097 (1,2,4-Oxadiazole Analogue 5f \| 4-[(2S)-2-acetamido...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc.					Assay Description Fluorescence polarization competitive binding assays were used to measure the IC50s of compounds binding to the different SH2 domains. The difference...				J Med Chem 42: 4088-98 (1999) Article DOI: 10.1021/jm990229t BindingDB Entry DOI: 10.7270/Q27D2SBP
ARIAD Pharmaceuticals, Inc.					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM5097 (1,2,4-Oxadiazole Analogue 5f \| 4-[(2S)-2-acetamido...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc.					Assay Description Fluorescence polarization competitive binding assays were used to measure the IC50s of compounds binding to the different SH2 domains. The difference...				J Med Chem 42: 4088-98 (1999) Article DOI: 10.1021/jm990229t BindingDB Entry DOI: 10.7270/Q27D2SBP
ARIAD Pharmaceuticals, Inc.					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM5097 (1,2,4-Oxadiazole Analogue 5f \| 4-[(2S)-2-acetamido...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Affinity for Syk protein tyrosine kinase				Bioorg Med Chem Lett 9: 3009-14 (1999) BindingDB Entry DOI: 10.7270/Q2ZS2VQR
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM5097 (1,2,4-Oxadiazole Analogue 5f \| 4-[(2S)-2-acetamido...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Affinity for Src protein tryrosine kinase				Bioorg Med Chem Lett 9: 3009-14 (1999) BindingDB Entry DOI: 10.7270/Q2ZS2VQR
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase ZAP-70 (Homo sapiens (Human))	BDBM5097 (1,2,4-Oxadiazole Analogue 5f \| 4-[(2S)-2-acetamido...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Affinity for Zeta-chain (TCR) associated protein kinase 70 kDa (ZAP70)				Bioorg Med Chem Lett 9: 3009-14 (1999) BindingDB Entry DOI: 10.7270/Q2ZS2VQR
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Grb2-SH2 (Homo sapiens (Human))	BDBM5097 (1,2,4-Oxadiazole Analogue 5f \| 4-[(2S)-2-acetamido...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc.					Assay Description Fluorescence polarization competitive binding assays were used to measure the IC50s of compounds binding to the different SH2 domains. The difference...				J Med Chem 42: 4088-98 (1999) Article DOI: 10.1021/jm990229t BindingDB Entry DOI: 10.7270/Q27D2SBP
ARIAD Pharmaceuticals, Inc.					More data for this Ligand-Target Pair