BDBM158156 US10081622, Compound 26::US9029356, 26::US9255087, 26::US9616059, 26

SMILES: COCCNc1cc(ccc1C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)N1CCN(C)CC1

InChI Key: InChIKey=ICYGLDQWNJHCEE-UHFFFAOYSA-N

Data: 15 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 158156   

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
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM158156 (US10081622, Compound 26 | US9029356, 26 | US925508...) Show SMILES COCCNc1cc(ccc1C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)N1CCN(C)CC1 Show InChI InChI=1S/C29H32F2N6O2/c1-36-8-10-37(11-9-36)23-4-5-24(27(18-23)32-7-12-39-2)29(38)33-28-25-16-19(3-6-26(25)34-35-28)13-20-14-21(30)17-22(31)15-20/h3-6,14-18,32H,7-13H2,1-2H3,(H2,33,34,35,38)	PDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	411	n/a	n/a	n/a	n/a	7.5	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description ALK enzyme needs pre-activation in order to linearize reaction kinetics.Kinase Buffer (KB) for ALKKinase buffer was composed of 50 mM HEPES pH 7.5 co...				US Patent US9029356 (2015) BindingDB Entry DOI: 10.7270/Q29C6W5G
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM158156 (US10081622, Compound 26 | US9029356, 26 | US925508...) Show SMILES COCCNc1cc(ccc1C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)N1CCN(C)CC1 Show InChI InChI=1S/C29H32F2N6O2/c1-36-8-10-37(11-9-36)23-4-5-24(27(18-23)32-7-12-39-2)29(38)33-28-25-16-19(3-6-26(25)34-35-28)13-20-14-21(30)17-22(31)15-20/h3-6,14-18,32H,7-13H2,1-2H3,(H2,33,34,35,38)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	568	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description i. Kinase Buffer (KB) for Aurora-2The kinase buffer was composed of 50 mM HEPES, pH 7.0, 10 mM MnCl2, 1 mM DTT, 3 microM Na3VO4, and 0.2 mg/mL BSA.ii...				US Patent US9616059 (2017) BindingDB Entry DOI: 10.7270/Q2TT4T0S
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM158156 (US10081622, Compound 26 | US9029356, 26 | US925508...) Show SMILES COCCNc1cc(ccc1C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)N1CCN(C)CC1 Show InChI InChI=1S/C29H32F2N6O2/c1-36-8-10-37(11-9-36)23-4-5-24(27(18-23)32-7-12-39-2)29(38)33-28-25-16-19(3-6-26(25)34-35-28)13-20-14-21(30)17-22(31)15-20/h3-6,14-18,32H,7-13H2,1-2H3,(H2,33,34,35,38)	PDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	568	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.A spe...				US Patent US9029356 (2015) BindingDB Entry DOI: 10.7270/Q29C6W5G
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM158156 (US10081622, Compound 26 | US9029356, 26 | US925508...) Show SMILES COCCNc1cc(ccc1C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)N1CCN(C)CC1 Show InChI InChI=1S/C29H32F2N6O2/c1-36-8-10-37(11-9-36)23-4-5-24(27(18-23)32-7-12-39-2)29(38)33-28-25-16-19(3-6-26(25)34-35-28)13-20-14-21(30)17-22(31)15-20/h3-6,14-18,32H,7-13H2,1-2H3,(H2,33,34,35,38)	PDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	411	n/a	n/a	n/a	n/a	7.5	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description BioKinase buffer was composed of 50 mM HEPES pH 7.5 containing 1 mM MnCl2, 5 mM MgCl2, 1 mM DTT, 3 microM Na3VO4, and 0.2 mg/mL BSA. 3x KB is buffer ...				US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair
Insulin-like growth factor I receptor (Homo sapiens (Human))	BDBM158156 (US10081622, Compound 26 | US9029356, 26 | US925508...) Show SMILES COCCNc1cc(ccc1C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)N1CCN(C)CC1 Show InChI InChI=1S/C29H32F2N6O2/c1-36-8-10-37(11-9-36)23-4-5-24(27(18-23)32-7-12-39-2)29(38)33-28-25-16-19(3-6-26(25)34-35-28)13-20-14-21(30)17-22(31)15-20/h3-6,14-18,32H,7-13H2,1-2H3,(H2,33,34,35,38)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	7.9	28
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Kinase buffer was composed of 50 mM HEPES pH 7.9 containing 3 mM MnCl2, 1 mM DTT, 3 microM Na3VO4, and 0.2 mg/mL BSA. 3x KB is buffer of the same com...				US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM158156 (US10081622, Compound 26 | US9029356, 26 | US925508...) Show SMILES COCCNc1cc(ccc1C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)N1CCN(C)CC1 Show InChI InChI=1S/C29H32F2N6O2/c1-36-8-10-37(11-9-36)23-4-5-24(27(18-23)32-7-12-39-2)29(38)33-28-25-16-19(3-6-26(25)34-35-28)13-20-14-21(30)17-22(31)15-20/h3-6,14-18,32H,7-13H2,1-2H3,(H2,33,34,35,38)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	568	n/a	n/a	n/a	n/a	7.0	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description The kinase buffer was composed of 50 mM HEPES, pH 7.0, 10 mM MnCl2, 1 mM DTT, 3 microM Na3VO4, and 0.2 mg/mL BSA. The kinase assay was run with an en...				US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair
Insulin-like growth factor I receptor (Homo sapiens (Human))	BDBM158156 (US10081622, Compound 26 | US9029356, 26 | US925508...) Show SMILES COCCNc1cc(ccc1C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)N1CCN(C)CC1 Show InChI InChI=1S/C29H32F2N6O2/c1-36-8-10-37(11-9-36)23-4-5-24(27(18-23)32-7-12-39-2)29(38)33-28-25-16-19(3-6-26(25)34-35-28)13-20-14-21(30)17-22(31)15-20/h3-6,14-18,32H,7-13H2,1-2H3,(H2,33,34,35,38)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of IGF1R (unknown origin) in presence of gamma33-ATP				J Med Chem 59: 3392-408 (2016) BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM158156 (US10081622, Compound 26 | US9029356, 26 | US925508...) Show SMILES COCCNc1cc(ccc1C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)N1CCN(C)CC1 Show InChI InChI=1S/C29H32F2N6O2/c1-36-8-10-37(11-9-36)23-4-5-24(27(18-23)32-7-12-39-2)29(38)33-28-25-16-19(3-6-26(25)34-35-28)13-20-14-21(30)17-22(31)15-20/h3-6,14-18,32H,7-13H2,1-2H3,(H2,33,34,35,38)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of IR (unknown origin) in presence of gamma33-ATP				J Med Chem 59: 3392-408 (2016) BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM158156 (US10081622, Compound 26 | US9029356, 26 | US925508...) Show SMILES COCCNc1cc(ccc1C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)N1CCN(C)CC1 Show InChI InChI=1S/C29H32F2N6O2/c1-36-8-10-37(11-9-36)23-4-5-24(27(18-23)32-7-12-39-2)29(38)33-28-25-16-19(3-6-26(25)34-35-28)13-20-14-21(30)17-22(31)15-20/h3-6,14-18,32H,7-13H2,1-2H3,(H2,33,34,35,38)	PDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP				J Med Chem 59: 3392-408 (2016) BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM158156 (US10081622, Compound 26 | US9029356, 26 | US925508...) Show SMILES COCCNc1cc(ccc1C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)N1CCN(C)CC1 Show InChI InChI=1S/C29H32F2N6O2/c1-36-8-10-37(11-9-36)23-4-5-24(27(18-23)32-7-12-39-2)29(38)33-28-25-16-19(3-6-26(25)34-35-28)13-20-14-21(30)17-22(31)15-20/h3-6,14-18,32H,7-13H2,1-2H3,(H2,33,34,35,38)	PDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	411	n/a	n/a	n/a	n/a	7.5	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description ALK enzyme needs pre-activation in order to linearize reaction kinetics.i. Kinase Buffer (KB) for ALK.Kinase buffer was composed of 50 mM HEPES pH 7....				US Patent US10081622 (2018) BindingDB Entry DOI: 10.7270/Q2833V2H
					More data for this Ligand-Target Pair
Insulin-like growth factor I receptor (Homo sapiens (Human))	BDBM158156 (US10081622, Compound 26 | US9029356, 26 | US925508...) Show SMILES COCCNc1cc(ccc1C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)N1CCN(C)CC1 Show InChI InChI=1S/C29H32F2N6O2/c1-36-8-10-37(11-9-36)23-4-5-24(27(18-23)32-7-12-39-2)29(38)33-28-25-16-19(3-6-26(25)34-35-28)13-20-14-21(30)17-22(31)15-20/h3-6,14-18,32H,7-13H2,1-2H3,(H2,33,34,35,38)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.A spe...				US Patent US10081622 (2018) BindingDB Entry DOI: 10.7270/Q2833V2H
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM158156 (US10081622, Compound 26 | US9029356, 26 | US925508...) Show SMILES COCCNc1cc(ccc1C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)N1CCN(C)CC1 Show InChI InChI=1S/C29H32F2N6O2/c1-36-8-10-37(11-9-36)23-4-5-24(27(18-23)32-7-12-39-2)29(38)33-28-25-16-19(3-6-26(25)34-35-28)13-20-14-21(30)17-22(31)15-20/h3-6,14-18,32H,7-13H2,1-2H3,(H2,33,34,35,38)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	568	n/a	n/a	n/a	n/a	7.0	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description The in vitro kinase inhibition assay was conducted in the same way as described for IGF-1R. At variance with IGF-1R, Aurora-2 enzyme does not need pr...				US Patent US10081622 (2018) BindingDB Entry DOI: 10.7270/Q2833V2H
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM158156 (US10081622, Compound 26 | US9029356, 26 | US925508...) Show SMILES COCCNc1cc(ccc1C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)N1CCN(C)CC1 Show InChI InChI=1S/C29H32F2N6O2/c1-36-8-10-37(11-9-36)23-4-5-24(27(18-23)32-7-12-39-2)29(38)33-28-25-16-19(3-6-26(25)34-35-28)13-20-14-21(30)17-22(31)15-20/h3-6,14-18,32H,7-13H2,1-2H3,(H2,33,34,35,38)	PDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	411	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Kinase Buffer (KB) for ALKKinase buffer was composed of 50 mM HEPES pH 7.5 containing 1 mM MnCl2, mM MgCl2, 1 mM DTT, 3 microM Na3VO4, and 0.2 mg/mL ...				US Patent US9616059 (2017) BindingDB Entry DOI: 10.7270/Q2TT4T0S
					More data for this Ligand-Target Pair
Insulin-like growth factor I receptor (Homo sapiens (Human))	BDBM158156 (US10081622, Compound 26 | US9029356, 26 | US925508...) Show SMILES COCCNc1cc(ccc1C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)N1CCN(C)CC1 Show InChI InChI=1S/C29H32F2N6O2/c1-36-8-10-37(11-9-36)23-4-5-24(27(18-23)32-7-12-39-2)29(38)33-28-25-16-19(3-6-26(25)34-35-28)13-20-14-21(30)17-22(31)15-20/h3-6,14-18,32H,7-13H2,1-2H3,(H2,33,34,35,38)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Kinase buffer was composed of 50 mM HEPES pH 7.9 containing 3 mM MnCl2, 1 mM DTT, 3 microM Na3VO4, and 0.2 mg/mL BSA. 3×KB is buffer of the same comp...				US Patent US9616059 (2017) BindingDB Entry DOI: 10.7270/Q2TT4T0S
					More data for this Ligand-Target Pair
Insulin-like growth factor I receptor (Homo sapiens (Human))	BDBM158156 (US10081622, Compound 26 | US9029356, 26 | US925508...) Show SMILES COCCNc1cc(ccc1C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)N1CCN(C)CC1 Show InChI InChI=1S/C29H32F2N6O2/c1-36-8-10-37(11-9-36)23-4-5-24(27(18-23)32-7-12-39-2)29(38)33-28-25-16-19(3-6-26(25)34-35-28)13-20-14-21(30)17-22(31)15-20/h3-6,14-18,32H,7-13H2,1-2H3,(H2,33,34,35,38)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.A spe...				US Patent US9029356 (2015) BindingDB Entry DOI: 10.7270/Q29C6W5G
					More data for this Ligand-Target Pair