null

SMILES: CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccc5cccnc5c4)cc3)cc2C(F)(F)F)CC1

InChI Key: InChIKey=RVQLPYKLAJLXMV-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 332703   

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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM332703 (US10196378, Compound C06) Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccc5cccnc5c4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H28F3N5O2/c1-36-13-15-37(16-14-36)19-21-4-6-23(17-26(21)29(30,31)32)35-28(38)34-22-7-10-24(11-8-22)39-25-9-5-20-3-2-12-33-27(20)18-25/h2-12,17-18H,13-16,19H2,1H3,(H2,34,35,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description The biochemical assays were carried out using the non-phosphorylated kinase domain of c-Abl, Bcr-Abl in Ba/F3 cells is in the phosphorylated state.				US Patent US10196378 (2019) BindingDB Entry DOI: 10.7270/Q2ZG6VCP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM332703 (US10196378, Compound C06) Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccc5cccnc5c4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H28F3N5O2/c1-36-13-15-37(16-14-36)19-21-4-6-23(17-26(21)29(30,31)32)35-28(38)34-22-7-10-24(11-8-22)39-25-9-5-20-3-2-12-33-27(20)18-25/h2-12,17-18H,13-16,19H2,1H3,(H2,34,35,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description The biochemical assays were carried out using the non-phosphorylated kinase domain of c-Abl, Bcr-Abl in Ba/F3 cells is in the phosphorylated state.				US Patent US10196378 (2019) BindingDB Entry DOI: 10.7270/Q2ZG6VCP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [T315I] (Homo sapiens (Human))	BDBM332703 (US10196378, Compound C06) Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccc5cccnc5c4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H28F3N5O2/c1-36-13-15-37(16-14-36)19-21-4-6-23(17-26(21)29(30,31)32)35-28(38)34-22-7-10-24(11-8-22)39-25-9-5-20-3-2-12-33-27(20)18-25/h2-12,17-18H,13-16,19H2,1H3,(H2,34,35,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description The biochemical assays were carried out using the non-phosphorylated kinase domain of c-Abl, Bcr-Abl in Ba/F3 cells is in the phosphorylated state.				US Patent US10196378 (2019) BindingDB Entry DOI: 10.7270/Q2ZG6VCP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [Y253F] (Homo sapiens (Human))	BDBM332703 (US10196378, Compound C06) Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccc5cccnc5c4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H28F3N5O2/c1-36-13-15-37(16-14-36)19-21-4-6-23(17-26(21)29(30,31)32)35-28(38)34-22-7-10-24(11-8-22)39-25-9-5-20-3-2-12-33-27(20)18-25/h2-12,17-18H,13-16,19H2,1H3,(H2,34,35,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description The biochemical assays were carried out using the non-phosphorylated kinase domain of c-Abl, Bcr-Abl in Ba/F3 cells is in the phosphorylated state.				US Patent US10196378 (2019) BindingDB Entry DOI: 10.7270/Q2ZG6VCP
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM332703 (US10196378, Compound C06) Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccc5cccnc5c4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H28F3N5O2/c1-36-13-15-37(16-14-36)19-21-4-6-23(17-26(21)29(30,31)32)35-28(38)34-22-7-10-24(11-8-22)39-25-9-5-20-3-2-12-33-27(20)18-25/h2-12,17-18H,13-16,19H2,1H3,(H2,34,35,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description The biochemical assays were carried out using the non-phosphorylated kinase domain of c-Abl, Bcr-Abl in Ba/F3 cells is in the phosphorylated state.				US Patent US10196378 (2019) BindingDB Entry DOI: 10.7270/Q2ZG6VCP
					More data for this Ligand-Target Pair