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SMILES: CC1Nc2ccn3ncc(C(=O)NCCOc4ccc(F)c(Cl)c14)c3n2

InChI Key: InChIKey=PBBXBBSBAJKYLC-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 374724   

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
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM374724 (12-chloro-11-fluoro-13-methyl-6,7,13,14- tetrahydr...) Show SMILES CC1Nc2ccn3ncc(C(=O)NCCOc4ccc(F)c(Cl)c14)c3n2 Show InChI InChI=1S/C17H15ClFN5O2/c1-9-14-12(3-2-11(19)15(14)18)26-7-5-20-17(25)10-8-21-24-6-4-13(22-9)23-16(10)24/h2-4,6,8-9H,5,7H2,1H3,(H,20,25)(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM374724 (12-chloro-11-fluoro-13-methyl-6,7,13,14- tetrahydr...) Show SMILES CC1Nc2ccn3ncc(C(=O)NCCOc4ccc(F)c(Cl)c14)c3n2 Show InChI InChI=1S/C17H15ClFN5O2/c1-9-14-12(3-2-11(19)15(14)18)26-7-5-20-17(25)10-8-21-24-6-4-13(22-9)23-16(10)24/h2-4,6,8-9H,5,7H2,1H3,(H,20,25)(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS (Homo sapiens (Human))	BDBM374724 (12-chloro-11-fluoro-13-methyl-6,7,13,14- tetrahydr...) Show SMILES CC1Nc2ccn3ncc(C(=O)NCCOc4ccc(F)c(Cl)c14)c3n2 Show InChI InChI=1S/C17H15ClFN5O2/c1-9-14-12(3-2-11(19)15(14)18)26-7-5-20-17(25)10-8-21-24-6-4-13(22-9)23-16(10)24/h2-4,6,8-9H,5,7H2,1H3,(H,20,25)(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a
Turning Point Therapeutics, Inc. US Patent					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				US Patent US10618912 (2020)
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM374724 (12-chloro-11-fluoro-13-methyl-6,7,13,14- tetrahydr...) Show SMILES CC1Nc2ccn3ncc(C(=O)NCCOc4ccc(F)c(Cl)c14)c3n2 Show InChI InChI=1S/C17H15ClFN5O2/c1-9-14-12(3-2-11(19)15(14)18)26-7-5-20-17(25)10-8-21-24-6-4-13(22-9)23-16(10)24/h2-4,6,8-9H,5,7H2,1H3,(H,20,25)(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a
Turning Point Therapeutics, Inc. US Patent					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				US Patent US10618912 (2020)
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM374724 (12-chloro-11-fluoro-13-methyl-6,7,13,14- tetrahydr...) Show SMILES CC1Nc2ccn3ncc(C(=O)NCCOc4ccc(F)c(Cl)c14)c3n2 Show InChI InChI=1S/C17H15ClFN5O2/c1-9-14-12(3-2-11(19)15(14)18)26-7-5-20-17(25)10-8-21-24-6-4-13(22-9)23-16(10)24/h2-4,6,8-9H,5,7H2,1H3,(H,20,25)(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a
Turning Point Therapeutics, Inc. US Patent					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				US Patent US10618912 (2020)
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS (Homo sapiens (Human))	BDBM374724 (12-chloro-11-fluoro-13-methyl-6,7,13,14- tetrahydr...) Show SMILES CC1Nc2ccn3ncc(C(=O)NCCOc4ccc(F)c(Cl)c14)c3n2 Show InChI InChI=1S/C17H15ClFN5O2/c1-9-14-12(3-2-11(19)15(14)18)26-7-5-20-17(25)10-8-21-24-6-4-13(22-9)23-16(10)24/h2-4,6,8-9H,5,7H2,1H3,(H,20,25)(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair