BDBM332704 US10196378, Compound C07

SMILES: CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccc5ccccc5c4)cc3)cc2C(F)(F)F)CC1

InChI Key: InChIKey=DALOQNGTFFDAFY-UHFFFAOYSA-N

Data: 5 KI

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 5 hits for monomerid = 332704   

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
ABL Mutant (T315I) (Homo sapiens (Human))	BDBM332704 (US10196378, Compound C07) Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccc5ccccc5c4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H29F3N4O2/c1-36-14-16-37(17-15-36)20-23-6-8-25(19-28(23)30(31,32)33)35-29(38)34-24-9-12-26(13-10-24)39-27-11-7-21-4-2-3-5-22(21)18-27/h2-13,18-19H,14-17,20H2,1H3,(H2,34,35,38)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	119	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))	BDBM332704 (US10196378, Compound C07) Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccc5ccccc5c4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H29F3N4O2/c1-36-14-16-37(17-15-36)20-23-6-8-25(19-28(23)30(31,32)33)35-29(38)34-24-9-12-26(13-10-24)39-27-11-7-21-4-2-3-5-22(21)18-27/h2-13,18-19H,14-17,20H2,1H3,(H2,34,35,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	155	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))	BDBM332704 (US10196378, Compound C07) Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccc5ccccc5c4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H29F3N4O2/c1-36-14-16-37(17-15-36)20-23-6-8-25(19-28(23)30(31,32)33)35-29(38)34-24-9-12-26(13-10-24)39-27-11-7-21-4-2-3-5-22(21)18-27/h2-13,18-19H,14-17,20H2,1H3,(H2,34,35,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	155	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
c-abl (Y253F) (Homo sapiens (Human))	BDBM332704 (US10196378, Compound C07) Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccc5ccccc5c4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H29F3N4O2/c1-36-14-16-37(17-15-36)20-23-6-8-25(19-28(23)30(31,32)33)35-29(38)34-24-9-12-26(13-10-24)39-27-11-7-21-4-2-3-5-22(21)18-27/h2-13,18-19H,14-17,20H2,1H3,(H2,34,35,38)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>9.00E+3	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))	BDBM332704 (US10196378, Compound C07) Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccc5ccccc5c4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H29F3N4O2/c1-36-14-16-37(17-15-36)20-23-6-8-25(19-28(23)30(31,32)33)35-29(38)34-24-9-12-26(13-10-24)39-27-11-7-21-4-2-3-5-22(21)18-27/h2-13,18-19H,14-17,20H2,1H3,(H2,34,35,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>2.70E+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