BDBM5100 1,2,4-Oxadiazole Analogue 12d::4-[(2S)-2-acetamido-2-{[(1S)-2-hydroxy-1-(3-{[4-(trifluoromethyl)phenyl]methyl}-1,2,4-oxadiazol-5-yl)ethyl]carbamoyl}ethyl]phenoxyphosphonic acid

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

InChI Key: InChIKey=YAHVNVAURPCRLK-OALUTQOASA-N

Data: 3 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 = 5100   

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
Tyrosine-protein kinase ZAP-70 (Homo sapiens (Human))	BDBM5100 (1,2,4-Oxadiazole Analogue 12d | 4-[(2S)-2-acetamid...) Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CO)c1nc(Cc2ccc(cc2)C(F)(F)F)no1 |r| Show InChI InChI=1S/C23H24F3N4O8P/c1-13(32)27-18(10-14-4-8-17(9-5-14)38-39(34,35)36)21(33)28-19(12-31)22-29-20(30-37-22)11-15-2-6-16(7-3-15)23(24,25)26/h2-9,18-19,31H,10-12H2,1H3,(H,27,32)(H,28,33)(H2,34,35,36)/t18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+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
					More data for this Ligand-Target Pair
Grb2-SH2 (Homo sapiens (Human))	BDBM5100 (1,2,4-Oxadiazole Analogue 12d | 4-[(2S)-2-acetamid...) Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CO)c1nc(Cc2ccc(cc2)C(F)(F)F)no1 |r| Show InChI InChI=1S/C23H24F3N4O8P/c1-13(32)27-18(10-14-4-8-17(9-5-14)38-39(34,35)36)21(33)28-19(12-31)22-29-20(30-37-22)11-15-2-6-16(7-3-15)23(24,25)26/h2-9,18-19,31H,10-12H2,1H3,(H,27,32)(H,28,33)(H2,34,35,36)/t18-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM5100 (1,2,4-Oxadiazole Analogue 12d | 4-[(2S)-2-acetamid...) Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CO)c1nc(Cc2ccc(cc2)C(F)(F)F)no1 |r| Show InChI InChI=1S/C23H24F3N4O8P/c1-13(32)27-18(10-14-4-8-17(9-5-14)38-39(34,35)36)21(33)28-19(12-31)22-29-20(30-37-22)11-15-2-6-16(7-3-15)23(24,25)26/h2-9,18-19,31H,10-12H2,1H3,(H,27,32)(H,28,33)(H2,34,35,36)/t18-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.82E+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
					More data for this Ligand-Target Pair