Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 531.5 BDBM417103

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

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))	BDBM417103 ((R)-4-(1-(1-acryloylpyrimidin-3-yl)-4-amino-1H-pyr...) Show SMILES Cc1cc(OC(=O)N2CCCCC2)ccc1NC(=O)c1nn(N2CN(CC=C2)C(=O)C=C)c2ncnc(N)c12 |c:28| Show InChI InChI=1S/C26H29N9O4/c1-3-20(36)33-12-7-13-34(16-33)35-24-21(23(27)28-15-29-24)22(31-35)25(37)30-19-9-8-18(14-17(19)2)39-26(38)32-10-5-4-6-11-32/h3,7-9,13-15H,1,4-6,10-12,16H2,2H3,(H,30,37)(H2,27,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	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
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