Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM376944'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376944 (US10329300, Example 32 | US11696917, Example 32 | ...) Show SMILES CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(C)c1C Show InChI InChI=1S/C25H30N8O4/c1-6-19(34)32-11-7-8-16(12-32)33-23-20(22(26)27-13-28-23)21(30-33)24(35)29-17-9-10-18(15(3)14(17)2)37-25(36)31(4)5/h6,9-10,13,16H,1,7-8,11-12H2,2-5H3,(H,29,35)(H2,26,27,28)/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2F193VV
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376944 (US10329300, Example 32 | US11696917, Example 32 | ...) Show SMILES CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(C)c1C Show InChI InChI=1S/C25H30N8O4/c1-6-19(34)32-11-7-8-16(12-32)33-23-20(22(26)27-13-28-23)21(30-33)24(35)29-17-9-10-18(15(3)14(17)2)37-25(36)31(4)5/h6,9-10,13,16H,1,7-8,11-12H2,2-5H3,(H,29,35)(H2,26,27,28)/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
TAIHO PHARMACEUTICAL CO., LTD. US Patent					Assay Description For setting the conditions for the method for measuring the in vitro inhibitory activity of a compound against HER2-phosphorylating activity, Profile...				US Patent US10329300 (2019) BindingDB Entry DOI: 10.7270/Q2MG7RWF
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376944 (US10329300, Example 32 | US11696917, Example 32 | ...) Show SMILES CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(C)c1C Show InChI InChI=1S/C25H30N8O4/c1-6-19(34)32-11-7-8-16(12-32)33-23-20(22(26)27-13-28-23)21(30-33)24(35)29-17-9-10-18(15(3)14(17)2)37-25(36)31(4)5/h6,9-10,13,16H,1,7-8,11-12H2,2-5H3,(H,29,35)(H2,26,27,28)/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair