Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 371.4 BDBM98448

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))	BDBM98448 (US8481733, 260) Show SMILES Nc1ccccc1Oc1ccc(cc1)-c1nc(C2CCC2)n2ccnc(N)c12 Show InChI InChI=1S/C22H21N5O/c23-17-6-1-2-7-18(17)28-16-10-8-14(9-11-16)19-20-21(24)25-12-13-27(20)22(26-19)15-4-3-5-15/h1-2,6-13,15H,3-5,23H2,(H2,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.83E+3	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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