BDBM5098 1,2,4-Oxadiazole Analogue 12b::4-[(2S)-2-{[(1S)-1-{3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl}-2-hydroxyethyl]carbamoyl}-2-acetamidoethyl]phenoxyphosphonic acid::CHEMBL316967

SMILES: CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CO)c1nc(Cc2ccc(Cl)c(Cl)c2)no1

InChI Key: InChIKey=BVFIVGIHHLRXBD-OALUTQOASA-N

Data: 6 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 6 hits for monomerid = 5098   

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))	BDBM5098 (1,2,4-Oxadiazole Analogue 12b | 4-[(2S)-2-{[(1S)-1...) Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CO)c1nc(Cc2ccc(Cl)c(Cl)c2)no1 |r| Show InChI InChI=1S/C22H23Cl2N4O8P/c1-12(30)25-18(9-13-2-5-15(6-3-13)36-37(32,33)34)21(31)26-19(11-29)22-27-20(28-35-22)10-14-4-7-16(23)17(24)8-14/h2-8,18-19,29H,9-11H2,1H3,(H,25,30)(H,26,31)(H2,32,33,34)/t18-,19-/m0/s1	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	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
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM5098 (1,2,4-Oxadiazole Analogue 12b | 4-[(2S)-2-{[(1S)-1...) Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CO)c1nc(Cc2ccc(Cl)c(Cl)c2)no1 |r| Show InChI InChI=1S/C22H23Cl2N4O8P/c1-12(30)25-18(9-13-2-5-15(6-3-13)36-37(32,33)34)21(31)26-19(11-29)22-27-20(28-35-22)10-14-4-7-16(23)17(24)8-14/h2-8,18-19,29H,9-11H2,1H3,(H,25,30)(H,26,31)(H2,32,33,34)/t18-,19-/m0/s1	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	7.50E+4	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))	BDBM5098 (1,2,4-Oxadiazole Analogue 12b | 4-[(2S)-2-{[(1S)-1...) Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CO)c1nc(Cc2ccc(Cl)c(Cl)c2)no1 |r| Show InChI InChI=1S/C22H23Cl2N4O8P/c1-12(30)25-18(9-13-2-5-15(6-3-13)36-37(32,33)34)21(31)26-19(11-29)22-27-20(28-35-22)10-14-4-7-16(23)17(24)8-14/h2-8,18-19,29H,9-11H2,1H3,(H,25,30)(H,26,31)(H2,32,33,34)/t18-,19-/m0/s1	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
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM5098 (1,2,4-Oxadiazole Analogue 12b | 4-[(2S)-2-{[(1S)-1...) Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CO)c1nc(Cc2ccc(Cl)c(Cl)c2)no1 |r| Show InChI InChI=1S/C22H23Cl2N4O8P/c1-12(30)25-18(9-13-2-5-15(6-3-13)36-37(32,33)34)21(31)26-19(11-29)22-27-20(28-35-22)10-14-4-7-16(23)17(24)8-14/h2-8,18-19,29H,9-11H2,1H3,(H,25,30)(H,26,31)(H2,32,33,34)/t18-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.50E+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
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ZAP-70 (Homo sapiens (Human))	BDBM5098 (1,2,4-Oxadiazole Analogue 12b | 4-[(2S)-2-{[(1S)-1...) Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CO)c1nc(Cc2ccc(Cl)c(Cl)c2)no1 |r| Show InChI InChI=1S/C22H23Cl2N4O8P/c1-12(30)25-18(9-13-2-5-15(6-3-13)36-37(32,33)34)21(31)26-19(11-29)22-27-20(28-35-22)10-14-4-7-16(23)17(24)8-14/h2-8,18-19,29H,9-11H2,1H3,(H,25,30)(H,26,31)(H2,32,33,34)/t18-,19-/m0/s1	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	4.00E+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
					More data for this Ligand-Target Pair
Grb2-SH2 (Homo sapiens (Human))	BDBM5098 (1,2,4-Oxadiazole Analogue 12b | 4-[(2S)-2-{[(1S)-1...) Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CO)c1nc(Cc2ccc(Cl)c(Cl)c2)no1 |r| Show InChI InChI=1S/C22H23Cl2N4O8P/c1-12(30)25-18(9-13-2-5-15(6-3-13)36-37(32,33)34)21(31)26-19(11-29)22-27-20(28-35-22)10-14-4-7-16(23)17(24)8-14/h2-8,18-19,29H,9-11H2,1H3,(H,25,30)(H,26,31)(H2,32,33,34)/t18-,19-/m0/s1	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
					More data for this Ligand-Target Pair