Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 428.5 BDBM98525

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))	BDBM98525 (US8481733, 337) Show SMILES CCC(O)(c1ccccc1)c1ccc(cc1)-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12 |r,wU:19.20,21.24,wD:21.23,(-.7,7.84,;.63,7.07,;.63,5.53,;-.91,5.53,;2.12,5.93,;3.21,4.84,;4.7,5.24,;5.09,6.72,;4.01,7.81,;2.52,7.41,;.23,4.04,;-1.25,3.64,;-1.65,2.15,;-.56,1.07,;.92,1.46,;1.32,2.95,;-.96,-.42,;-.06,-1.67,;-.96,-2.91,;-.56,-4.4,;.77,-5.17,;-0,-6.5,;1.33,-7.27,;-.77,-7.84,;-1.33,-5.73,;-2.43,-2.44,;-3.76,-3.21,;-5.09,-2.44,;-5.09,-.9,;-3.76,-.13,;-3.76,1.41,;-2.43,-.9,)| Show InChI InChI=1S/C26H28N4O2/c1-3-26(32,19-7-5-4-6-8-19)20-11-9-17(10-12-20)21-22-23(27)28-13-14-30(22)24(29-21)18-15-25(2,31)16-18/h4-14,18,31-32H,3,15-16H2,1-2H3,(H2,27,28)/t18-,25+,26?	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+4	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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