Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 518.6 BDBM98411

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
Activated CDC42 kinase 1 (Homo sapiens (Human))	BDBM98411 (US8481733, 223) Show SMILES COc1cc(ccc1C(=O)c1ccccc1)-c1nc(-c2ccc(cc2)N2CCN(C)CC2)n2ccnc(N)c12 Show InChI InChI=1S/C31H30N6O2/c1-35-16-18-36(19-17-35)24-11-8-22(9-12-24)31-34-27(28-30(32)33-14-15-37(28)31)23-10-13-25(26(20-23)39-2)29(38)21-6-4-3-5-7-21/h3-15,20H,16-19H2,1-2H3,(H2,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
OSI Pharmaceuticals, LLC US Patent					Assay Description AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.				US Patent US8481733 (2013) BindingDB Entry DOI: 10.7270/Q2XD109J
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