BDBM5063 1,2,4-Oxadiazole Analogue 4i::4-[(2S)-2-{[(1S)-3-carbamoyl-1-[3-(naphthalen-1-ylmethyl)-1,2,4-oxadiazol-5-yl]propyl]carbamoyl}-2-acetamidoethyl]phenoxyphosphonic acid::CHEMBL310313

SMILES: CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(Cc2cccc3ccccc23)no1

InChI Key: InChIKey=LLRLNJFGNSSVNF-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 = 5063   

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))	BDBM5063 (1,2,4-Oxadiazole Analogue 4i | 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(Cc2cccc3ccccc23)no1 |r| Show InChI InChI=1S/C28H30N5O8P/c1-17(34)30-24(15-18-9-11-21(12-10-18)41-42(37,38)39)27(36)31-23(13-14-25(29)35)28-32-26(33-40-28)16-20-7-4-6-19-5-2-3-8-22(19)20/h2-12,23-24H,13-16H2,1H3,(H2,29,35)(H,30,34)(H,31,36)(H2,37,38,39)/t23-,24-/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	5.50E+4	n/a	n/a	n/a	n/a	7.4	22
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))	BDBM5063 (1,2,4-Oxadiazole Analogue 4i | 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(Cc2cccc3ccccc23)no1 |r| Show InChI InChI=1S/C28H30N5O8P/c1-17(34)30-24(15-18-9-11-21(12-10-18)41-42(37,38)39)27(36)31-23(13-14-25(29)35)28-32-26(33-40-28)16-20-7-4-6-19-5-2-3-8-22(19)20/h2-12,23-24H,13-16H2,1H3,(H2,29,35)(H,30,34)(H,31,36)(H2,37,38,39)/t23-,24-/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	1.35E+5	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against Src-homology 2 (SRC SH2).				Bioorg Med Chem Lett 9: 2359-64 (1999) BindingDB Entry DOI: 10.7270/Q2G73CX5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM5063 (1,2,4-Oxadiazole Analogue 4i | 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(Cc2cccc3ccccc23)no1 |r| Show InChI InChI=1S/C28H30N5O8P/c1-17(34)30-24(15-18-9-11-21(12-10-18)41-42(37,38)39)27(36)31-23(13-14-25(29)35)28-32-26(33-40-28)16-20-7-4-6-19-5-2-3-8-22(19)20/h2-12,23-24H,13-16H2,1H3,(H2,29,35)(H,30,34)(H,31,36)(H2,37,38,39)/t23-,24-/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	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	7.4	22
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))	BDBM5063 (1,2,4-Oxadiazole Analogue 4i | 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(Cc2cccc3ccccc23)no1 |r| Show InChI InChI=1S/C28H30N5O8P/c1-17(34)30-24(15-18-9-11-21(12-10-18)41-42(37,38)39)27(36)31-23(13-14-25(29)35)28-32-26(33-40-28)16-20-7-4-6-19-5-2-3-8-22(19)20/h2-12,23-24H,13-16H2,1H3,(H2,29,35)(H,30,34)(H,31,36)(H2,37,38,39)/t23-,24-/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	1.35E+5	n/a	n/a	n/a	n/a	7.4	22
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