BDBM50289963 CHEMBL3142195::CHEMBL92506::Pentanedioic acid (2R,5R)-5-(6-amino-purin-9-yl)-3,4-diisopropoxy-tetrahydro-furan-2-ylmethyl ester 4-((E)-2-nitro-vinyl)-phenyl ester

SMILES: CC(C)O[C@@H]1[C@@H](COC(=O)CCCC(=O)Oc2ccc(\C=C\[N+]([O-])=O)cc2)O[C@H]([C@@H]1OC(C)C)n1cnc2c(N)ncnc12

InChI Key: InChIKey=MLTIRIPPEVCTBF-OUKQBFOZSA-N

Data: 2 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 2 hits for monomerid = 50289963   

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
Epidermal growth factor receptor/Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50289963 (CHEMBL3142195 | CHEMBL92506 | Pentanedioic acid (2...) Show SMILES CC(C)O[C@@H]1[C@@H](COC(=O)CCCC(=O)Oc2ccc(\C=C\[N+]([O-])=O)cc2)O[C@H]([C@@H]1OC(C)C)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C29H36N6O9/c1-17(2)41-25-21(44-29(26(25)42-18(3)4)34-16-33-24-27(30)31-15-32-28(24)34)14-40-22(36)6-5-7-23(37)43-20-10-8-19(9-11-20)12-13-35(38)39/h8-13,15-18,21,25-26,29H,5-7,14H2,1-4H3,(H2,30,31,32)/b13-12+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of ligand-stimulated autophosphorylation of EGFR/HER2 chimeric receptor expressed in NIH3T3 cells				Bioorg Med Chem Lett 7: 2109-2114 (1997) Article DOI: 10.1016/S0960-894X(97)00369-7 BindingDB Entry DOI: 10.7270/Q2N016H3
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50289963 (CHEMBL3142195 | CHEMBL92506 | Pentanedioic acid (2...) Show SMILES CC(C)O[C@@H]1[C@@H](COC(=O)CCCC(=O)Oc2ccc(\C=C\[N+]([O-])=O)cc2)O[C@H]([C@@H]1OC(C)C)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C29H36N6O9/c1-17(2)41-25-21(44-29(26(25)42-18(3)4)34-16-33-24-27(30)31-15-32-28(24)34)14-40-22(36)6-5-7-23(37)43-20-10-8-19(9-11-20)12-13-35(38)39/h8-13,15-18,21,25-26,29H,5-7,14H2,1-4H3,(H2,30,31,32)/b13-12+	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of autophosphorylation of HER-2 expressed in NIH3T3 cell lines				Bioorg Med Chem Lett 7: 2109-2114 (1997) Article DOI: 10.1016/S0960-894X(97)00369-7 BindingDB Entry DOI: 10.7270/Q2N016H3
					More data for this Ligand-Target Pair