BDBM230756 US9340537, 10::US9896444, Example 10

SMILES: O[C@@H]1CCN(C1)c1ncc(cc1-c1cncs1)C(=O)Nc1ccc(OC(F)(F)F)cc1

InChI Key: InChIKey=COJGZCSIUJFONE-CQSZACIVSA-N

Data: 4 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 4 hits for monomerid = 230756   

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))	BDBM230756 (US9340537, 10 | US9896444, Example 10) Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cncs1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C20H17F3N4O3S/c21-20(22,23)30-15-3-1-13(2-4-15)26-19(29)12-7-16(17-9-24-11-31-17)18(25-8-12)27-6-5-14(28)10-27/h1-4,7-9,11,14,28H,5-6,10H2,(H,26,29)/t14-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	7.5	25
NOVATIS AG US Patent					Assay Description The assay was performed by mixing 10 μL of the compound pre-diluted with 10 μL of ATP (20 μM ATP with 0.1 μCi [γ-33P]-ATP) with the...				US Patent US9340537 (2016) BindingDB Entry DOI: 10.7270/Q2FB51T5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM230756 (US9340537, 10 | US9896444, Example 10) Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cncs1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C20H17F3N4O3S/c21-20(22,23)30-15-3-1-13(2-4-15)26-19(29)12-7-16(17-9-24-11-31-17)18(25-8-12)27-6-5-14(28)10-27/h1-4,7-9,11,14,28H,5-6,10H2,(H,26,29)/t14-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-MRL					Assay Description Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...				J Med Chem 50: 4953-75 (2007) BindingDB Entry DOI: 10.7270/Q2B27XKV
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM230756 (US9340537, 10 | US9896444, Example 10) Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cncs1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C20H17F3N4O3S/c21-20(22,23)30-15-3-1-13(2-4-15)26-19(29)12-7-16(17-9-24-11-31-17)18(25-8-12)27-6-5-14(28)10-27/h1-4,7-9,11,14,28H,5-6,10H2,(H,26,29)/t14-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-MRL					Assay Description Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...				J Med Chem 50: 4953-75 (2007) BindingDB Entry DOI: 10.7270/Q2B27XKV
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM230756 (US9340537, 10 | US9896444, Example 10) Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cncs1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C20H17F3N4O3S/c21-20(22,23)30-15-3-1-13(2-4-15)26-19(29)12-7-16(17-9-24-11-31-17)18(25-8-12)27-6-5-14(28)10-27/h1-4,7-9,11,14,28H,5-6,10H2,(H,26,29)/t14-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.5	30
NOVATIS AG US Patent					Assay Description The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition...				US Patent US9340537 (2016) BindingDB Entry DOI: 10.7270/Q2FB51T5
					More data for this Ligand-Target Pair