null

SMILES: CN1CCN(CCc2ccc(NC(=O)c3cc(c[nH]c3=O)-c3ccc4OCOc4c3)cc2)CC1

InChI Key: InChIKey=JNAZGEGXKHNDBG-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50181672   

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
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50181672 (5-benzo[1,3]dioxol-5-yl-2-oxo-1,2-dihydro-pyridine...) Show SMILES CN1CCN(CCc2ccc(NC(=O)c3cc(c[nH]c3=O)-c3ccc4OCOc4c3)cc2)CC1 Show InChI InChI=1S/C26H28N4O4/c1-29-10-12-30(13-11-29)9-8-18-2-5-21(6-3-18)28-26(32)22-14-20(16-27-25(22)31)19-4-7-23-24(15-19)34-17-33-23/h2-7,14-16H,8-13,17H2,1H3,(H,27,31)(H,28,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
ChemBridge Research Laboratories and ChemBridge Corporation Curated by ChEMBL					Assay Description Antiproliferative activity against human BCR-ABL positive chronic myeloid leukemia K562 cell line				J Med Chem 49: 1006-15 (2006) Article DOI: 10.1021/jm050824x BindingDB Entry DOI: 10.7270/Q2H994T6
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor/Nucleophosmin (Homo sapiens (Human))	BDBM50181672 (5-benzo[1,3]dioxol-5-yl-2-oxo-1,2-dihydro-pyridine...) Show SMILES CN1CCN(CCc2ccc(NC(=O)c3cc(c[nH]c3=O)-c3ccc4OCOc4c3)cc2)CC1 Show InChI InChI=1S/C26H28N4O4/c1-29-10-12-30(13-11-29)9-8-18-2-5-21(6-3-18)28-26(32)22-14-20(16-27-25(22)31)19-4-7-23-24(15-19)34-17-33-23/h2-7,14-16H,8-13,17H2,1H3,(H,27,31)(H,28,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
ChemBridge Research Laboratories and ChemBridge Corporation Curated by ChEMBL					Assay Description Antiproliferative activity against human NPM-ALK positive anaplastic large cell lymphoma karpas299 cell line				J Med Chem 49: 1006-15 (2006) Article DOI: 10.1021/jm050824x BindingDB Entry DOI: 10.7270/Q2H994T6
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50181672 (5-benzo[1,3]dioxol-5-yl-2-oxo-1,2-dihydro-pyridine...) Show SMILES CN1CCN(CCc2ccc(NC(=O)c3cc(c[nH]c3=O)-c3ccc4OCOc4c3)cc2)CC1 Show InChI InChI=1S/C26H28N4O4/c1-29-10-12-30(13-11-29)9-8-18-2-5-21(6-3-18)28-26(32)22-14-20(16-27-25(22)31)19-4-7-23-24(15-19)34-17-33-23/h2-7,14-16H,8-13,17H2,1H3,(H,27,31)(H,28,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
ChemBridge Research Laboratories and ChemBridge Corporation Curated by ChEMBL					Assay Description Inhibitory activity against ALK				J Med Chem 49: 1006-15 (2006) Article DOI: 10.1021/jm050824x BindingDB Entry DOI: 10.7270/Q2H994T6
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor/Nucleophosmin (Homo sapiens (Human))	BDBM50181672 (5-benzo[1,3]dioxol-5-yl-2-oxo-1,2-dihydro-pyridine...) Show SMILES CN1CCN(CCc2ccc(NC(=O)c3cc(c[nH]c3=O)-c3ccc4OCOc4c3)cc2)CC1 Show InChI InChI=1S/C26H28N4O4/c1-29-10-12-30(13-11-29)9-8-18-2-5-21(6-3-18)28-26(32)22-14-20(16-27-25(22)31)19-4-7-23-24(15-19)34-17-33-23/h2-7,14-16H,8-13,17H2,1H3,(H,27,31)(H,28,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.74E+4	n/a	n/a	n/a	n/a	n/a	n/a
ChemBridge Research Laboratories and ChemBridge Corporation Curated by ChEMBL					Assay Description Antiproliferative activity against murine BaF3 cell line expressing NPM-ALK				J Med Chem 49: 1006-15 (2006) Article DOI: 10.1021/jm050824x BindingDB Entry DOI: 10.7270/Q2H994T6
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50181672 (5-benzo[1,3]dioxol-5-yl-2-oxo-1,2-dihydro-pyridine...) Show SMILES CN1CCN(CCc2ccc(NC(=O)c3cc(c[nH]c3=O)-c3ccc4OCOc4c3)cc2)CC1 Show InChI InChI=1S/C26H28N4O4/c1-29-10-12-30(13-11-29)9-8-18-2-5-21(6-3-18)28-26(32)22-14-20(16-27-25(22)31)19-4-7-23-24(15-19)34-17-33-23/h2-7,14-16H,8-13,17H2,1H3,(H,27,31)(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
ChemBridge Research Laboratories and ChemBridge Corporation Curated by ChEMBL					Assay Description Inhibitory activity against IGF1R				J Med Chem 49: 1006-15 (2006) Article DOI: 10.1021/jm050824x BindingDB Entry DOI: 10.7270/Q2H994T6
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50181672 (5-benzo[1,3]dioxol-5-yl-2-oxo-1,2-dihydro-pyridine...) Show SMILES CN1CCN(CCc2ccc(NC(=O)c3cc(c[nH]c3=O)-c3ccc4OCOc4c3)cc2)CC1 Show InChI InChI=1S/C26H28N4O4/c1-29-10-12-30(13-11-29)9-8-18-2-5-21(6-3-18)28-26(32)22-14-20(16-27-25(22)31)19-4-7-23-24(15-19)34-17-33-23/h2-7,14-16H,8-13,17H2,1H3,(H,27,31)(H,28,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
ChemBridge Research Laboratories and ChemBridge Corporation Curated by ChEMBL					Assay Description Inhibitory activity against Flt3				J Med Chem 49: 1006-15 (2006) Article DOI: 10.1021/jm050824x BindingDB Entry DOI: 10.7270/Q2H994T6
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50181672 (5-benzo[1,3]dioxol-5-yl-2-oxo-1,2-dihydro-pyridine...) Show SMILES CN1CCN(CCc2ccc(NC(=O)c3cc(c[nH]c3=O)-c3ccc4OCOc4c3)cc2)CC1 Show InChI InChI=1S/C26H28N4O4/c1-29-10-12-30(13-11-29)9-8-18-2-5-21(6-3-18)28-26(32)22-14-20(16-27-25(22)31)19-4-7-23-24(15-19)34-17-33-23/h2-7,14-16H,8-13,17H2,1H3,(H,27,31)(H,28,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
ChemBridge Research Laboratories and ChemBridge Corporation Curated by ChEMBL					Assay Description Inhibitory activity against Src				J Med Chem 49: 1006-15 (2006) Article DOI: 10.1021/jm050824x BindingDB Entry DOI: 10.7270/Q2H994T6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50181672 (5-benzo[1,3]dioxol-5-yl-2-oxo-1,2-dihydro-pyridine...) Show SMILES CN1CCN(CCc2ccc(NC(=O)c3cc(c[nH]c3=O)-c3ccc4OCOc4c3)cc2)CC1 Show InChI InChI=1S/C26H28N4O4/c1-29-10-12-30(13-11-29)9-8-18-2-5-21(6-3-18)28-26(32)22-14-20(16-27-25(22)31)19-4-7-23-24(15-19)34-17-33-23/h2-7,14-16H,8-13,17H2,1H3,(H,27,31)(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
ChemBridge Research Laboratories and ChemBridge Corporation Curated by ChEMBL					Assay Description Inhibitory activity against Abl				J Med Chem 49: 1006-15 (2006) Article DOI: 10.1021/jm050824x BindingDB Entry DOI: 10.7270/Q2H994T6
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM50181672 (5-benzo[1,3]dioxol-5-yl-2-oxo-1,2-dihydro-pyridine...) Show SMILES CN1CCN(CCc2ccc(NC(=O)c3cc(c[nH]c3=O)-c3ccc4OCOc4c3)cc2)CC1 Show InChI InChI=1S/C26H28N4O4/c1-29-10-12-30(13-11-29)9-8-18-2-5-21(6-3-18)28-26(32)22-14-20(16-27-25(22)31)19-4-7-23-24(15-19)34-17-33-23/h2-7,14-16H,8-13,17H2,1H3,(H,27,31)(H,28,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
ChemBridge Research Laboratories and ChemBridge Corporation Curated by ChEMBL					Assay Description Inhibitory activity against IRK				J Med Chem 49: 1006-15 (2006) Article DOI: 10.1021/jm050824x BindingDB Entry DOI: 10.7270/Q2H994T6
					More data for this Ligand-Target Pair