BDBM5104 1,2,4-Oxadiazole Analogue 15a::4-[(2S)-2-{[(1S)-2-hydroxy-1-(3-{[4-(trifluoromethyl)phenyl]methyl}-1,2,4-oxadiazol-5-yl)ethyl]carbamoyl}-2-(1-phenylacetamido)ethyl]phenoxyphosphonic acid

SMILES: OC[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)Cc1ccccc1)c1nc(Cc2ccc(cc2)C(F)(F)F)no1

InChI Key: InChIKey=ZZBVBSSABXAMFR-ZEQRLZLVSA-N

Data: 4 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 4 hits for monomerid = 5104   

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))	BDBM5104 (1,2,4-Oxadiazole Analogue 15a | 4-[(2S)-2-{[(1S)-2...) Show SMILES OC[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)Cc1ccccc1)c1nc(Cc2ccc(cc2)C(F)(F)F)no1 |r| Show InChI InChI=1S/C29H28F3N4O8P/c30-29(31,32)21-10-6-20(7-11-21)15-25-35-28(43-36-25)24(17-37)34-27(39)23(33-26(38)16-18-4-2-1-3-5-18)14-19-8-12-22(13-9-19)44-45(40,41)42/h1-13,23-24,37H,14-17H2,(H,33,38)(H,34,39)(H2,40,41,42)/t23-,24-/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	3.00E+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))	BDBM5104 (1,2,4-Oxadiazole Analogue 15a | 4-[(2S)-2-{[(1S)-2...) Show SMILES OC[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)Cc1ccccc1)c1nc(Cc2ccc(cc2)C(F)(F)F)no1 |r| Show InChI InChI=1S/C29H28F3N4O8P/c30-29(31,32)21-10-6-20(7-11-21)15-25-35-28(43-36-25)24(17-37)34-27(39)23(33-26(38)16-18-4-2-1-3-5-18)14-19-8-12-22(13-9-19)44-45(40,41)42/h1-13,23-24,37H,14-17H2,(H,33,38)(H,34,39)(H2,40,41,42)/t23-,24-/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))	BDBM5104 (1,2,4-Oxadiazole Analogue 15a | 4-[(2S)-2-{[(1S)-2...) Show SMILES OC[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)Cc1ccccc1)c1nc(Cc2ccc(cc2)C(F)(F)F)no1 |r| Show InChI InChI=1S/C29H28F3N4O8P/c30-29(31,32)21-10-6-20(7-11-21)15-25-35-28(43-36-25)24(17-37)34-27(39)23(33-26(38)16-18-4-2-1-3-5-18)14-19-8-12-22(13-9-19)44-45(40,41)42/h1-13,23-24,37H,14-17H2,(H,33,38)(H,34,39)(H2,40,41,42)/t23-,24-/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	1.61E+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
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM5104 (1,2,4-Oxadiazole Analogue 15a | 4-[(2S)-2-{[(1S)-2...) Show SMILES OC[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)Cc1ccccc1)c1nc(Cc2ccc(cc2)C(F)(F)F)no1 |r| Show InChI InChI=1S/C29H28F3N4O8P/c30-29(31,32)21-10-6-20(7-11-21)15-25-35-28(43-36-25)24(17-37)34-27(39)23(33-26(38)16-18-4-2-1-3-5-18)14-19-8-12-22(13-9-19)44-45(40,41)42/h1-13,23-24,37H,14-17H2,(H,33,38)(H,34,39)(H2,40,41,42)/t23-,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.18E+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