null

SMILES: C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc(cc2)C(F)(F)c2ccccc2)c2c(N)nccn12

InChI Key: InChIKey=QXYZHRYXSNHAFM-PAVFIEEWSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 98306   

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))	BDBM98306 (US8481733, 118) Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc(cc2)C(F)(F)c2ccccc2)c2c(N)nccn12 |r,wU:4.6,1.1,wD:1.0,(1.33,-7.26,;-0,-6.49,;-.77,-7.83,;.77,-5.16,;-.56,-4.39,;-1.33,-5.72,;-.96,-2.9,;-.06,-1.65,;-.96,-.41,;-.56,1.08,;.92,1.48,;1.32,2.96,;.23,4.05,;-1.25,3.65,;-1.65,2.17,;.63,5.54,;.63,7.08,;-.91,5.54,;2.12,5.94,;3.21,4.85,;4.7,5.25,;5.09,6.74,;4.01,7.83,;2.52,7.43,;-2.43,-.88,;-3.76,-.11,;-3.76,1.43,;-5.09,-.88,;-5.09,-2.42,;-3.76,-3.19,;-2.43,-2.42,)| Show InChI InChI=1S/C24H22F2N4O/c1-23(31)13-16(14-23)22-29-19(20-21(27)28-11-12-30(20)22)15-7-9-18(10-8-15)24(25,26)17-5-3-2-4-6-17/h2-12,16,31H,13-14H2,1H3,(H2,27,28)/t16-,23+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	452	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
Activated CDC42 kinase 1 (Homo sapiens (Human))	BDBM98306 (US8481733, 118) Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc(cc2)C(F)(F)c2ccccc2)c2c(N)nccn12 |r,wU:4.6,1.1,wD:1.0,(1.33,-7.26,;-0,-6.49,;-.77,-7.83,;.77,-5.16,;-.56,-4.39,;-1.33,-5.72,;-.96,-2.9,;-.06,-1.65,;-.96,-.41,;-.56,1.08,;.92,1.48,;1.32,2.96,;.23,4.05,;-1.25,3.65,;-1.65,2.17,;.63,5.54,;.63,7.08,;-.91,5.54,;2.12,5.94,;3.21,4.85,;4.7,5.25,;5.09,6.74,;4.01,7.83,;2.52,7.43,;-2.43,-.88,;-3.76,-.11,;-3.76,1.43,;-5.09,-.88,;-5.09,-2.42,;-3.76,-3.19,;-2.43,-2.42,)| Show InChI InChI=1S/C24H22F2N4O/c1-23(31)13-16(14-23)22-29-19(20-21(27)28-11-12-30(20)22)15-7-9-18(10-8-15)24(25,26)17-5-3-2-4-6-17/h2-12,16,31H,13-14H2,1H3,(H2,27,28)/t16-,23+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	450	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))	BDBM98306 (US8481733, 118) Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc(cc2)C(F)(F)c2ccccc2)c2c(N)nccn12 |r,wU:4.6,1.1,wD:1.0,(1.33,-7.26,;-0,-6.49,;-.77,-7.83,;.77,-5.16,;-.56,-4.39,;-1.33,-5.72,;-.96,-2.9,;-.06,-1.65,;-.96,-.41,;-.56,1.08,;.92,1.48,;1.32,2.96,;.23,4.05,;-1.25,3.65,;-1.65,2.17,;.63,5.54,;.63,7.08,;-.91,5.54,;2.12,5.94,;3.21,4.85,;4.7,5.25,;5.09,6.74,;4.01,7.83,;2.52,7.43,;-2.43,-.88,;-3.76,-.11,;-3.76,1.43,;-5.09,-.88,;-5.09,-2.42,;-3.76,-3.19,;-2.43,-2.42,)| Show InChI InChI=1S/C24H22F2N4O/c1-23(31)13-16(14-23)22-29-19(20-21(27)28-11-12-30(20)22)15-7-9-18(10-8-15)24(25,26)17-5-3-2-4-6-17/h2-12,16,31H,13-14H2,1H3,(H2,27,28)/t16-,23+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	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 cellular mechanistic 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