BDBM5093 1,2,4-Oxadiazole Analogue 4f::4-[(2S)-2-{[(1S)-3-carbamoyl-1-{3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl}propyl]carbamoyl}-2-acetamidoethyl]phenoxyphosphonic acid

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

InChI Key: InChIKey=HKOHWDTYCZDWEW-PMACEKPBSA-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 = 5093   

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))	BDBM5093 (1,2,4-Oxadiazole Analogue 4f | 4-[(2S)-2-{[(1S)-3-...) Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(Cc2ccc(Cl)c(Cl)c2)no1 |r| Show InChI InChI=1S/C24H26Cl2N5O8P/c1-13(32)28-20(11-14-2-5-16(6-3-14)39-40(35,36)37)23(34)29-19(8-9-21(27)33)24-30-22(31-38-24)12-15-4-7-17(25)18(26)10-15/h2-7,10,19-20H,8-9,11-12H2,1H3,(H2,27,33)(H,28,32)(H,29,34)(H2,35,36,37)/t19-,20-/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	1.40E+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
Grb2-SH2 (Homo sapiens (Human))	BDBM5093 (1,2,4-Oxadiazole Analogue 4f | 4-[(2S)-2-{[(1S)-3-...) Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(Cc2ccc(Cl)c(Cl)c2)no1 |r| Show InChI InChI=1S/C24H26Cl2N5O8P/c1-13(32)28-20(11-14-2-5-16(6-3-14)39-40(35,36)37)23(34)29-19(8-9-21(27)33)24-30-22(31-38-24)12-15-4-7-17(25)18(26)10-15/h2-7,10,19-20H,8-9,11-12H2,1H3,(H2,27,33)(H,28,32)(H,29,34)(H2,35,36,37)/t19-,20-/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	4.41E+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))	BDBM5093 (1,2,4-Oxadiazole Analogue 4f | 4-[(2S)-2-{[(1S)-3-...) Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(Cc2ccc(Cl)c(Cl)c2)no1 |r| Show InChI InChI=1S/C24H26Cl2N5O8P/c1-13(32)28-20(11-14-2-5-16(6-3-14)39-40(35,36)37)23(34)29-19(8-9-21(27)33)24-30-22(31-38-24)12-15-4-7-17(25)18(26)10-15/h2-7,10,19-20H,8-9,11-12H2,1H3,(H2,27,33)(H,28,32)(H,29,34)(H2,35,36,37)/t19-,20-/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	>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))	BDBM5093 (1,2,4-Oxadiazole Analogue 4f | 4-[(2S)-2-{[(1S)-3-...) Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(Cc2ccc(Cl)c(Cl)c2)no1 |r| Show InChI InChI=1S/C24H26Cl2N5O8P/c1-13(32)28-20(11-14-2-5-16(6-3-14)39-40(35,36)37)23(34)29-19(8-9-21(27)33)24-30-22(31-38-24)12-15-4-7-17(25)18(26)10-15/h2-7,10,19-20H,8-9,11-12H2,1H3,(H2,27,33)(H,28,32)(H,29,34)(H2,35,36,37)/t19-,20-/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	2.06E+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