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SMILES: COc1cc(ccc1Oc1ccccc1)-c1nc(C2CCC2)n2ccnc(N)c12

InChI Key: InChIKey=CKJFWBZHOQOQDD-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 98208   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM98208 (US8481733, 20) Show SMILES COc1cc(ccc1Oc1ccccc1)-c1nc(C2CCC2)n2ccnc(N)c12 Show InChI InChI=1S/C23H22N4O2/c1-28-19-14-16(10-11-18(19)29-17-8-3-2-4-9-17)20-21-22(24)25-12-13-27(21)23(26-20)15-6-5-7-15/h2-4,8-15H,5-7H2,1H3,(H2,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
OSI Pharmaceuticals, LLC Curated by ChEMBL					Assay Description Inhibition of ACK1 (unknown origin) by biochemical assay				Bioorg Med Chem Lett 23: 979-84 (2013) Article DOI: 10.1016/j.bmcl.2012.12.042 BindingDB Entry DOI: 10.7270/Q2348MQT
					More data for this Ligand-Target Pair
Activated CDC42 kinase 1 (Homo sapiens (Human))	BDBM98208 (US8481733, 20) Show SMILES COc1cc(ccc1Oc1ccccc1)-c1nc(C2CCC2)n2ccnc(N)c12 Show InChI InChI=1S/C23H22N4O2/c1-28-19-14-16(10-11-18(19)29-17-8-3-2-4-9-17)20-21-22(24)25-12-13-27(21)23(26-20)15-6-5-7-15/h2-4,8-15H,5-7H2,1H3,(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	48.7	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
					More data for this Ligand-Target Pair