null

SMILES: Cn1c(ccc1-c1cc(cnc1N1CC[C@@H](O)C1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1)C#N

InChI Key: InChIKey=RULBCZWLIDRTDZ-QGZVFWFLSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 230793   

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 [64-515] (Homo sapiens (Human))	BDBM230793 (US9340537, 47 | US9896444, Example 47) Show SMILES Cn1c(ccc1-c1cc(cnc1N1CC[C@@H](O)C1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1)C#N |r| Show InChI InChI=1S/C23H20ClF2N5O3/c1-30-16(11-27)4-7-20(30)19-10-14(12-28-21(19)31-9-8-17(32)13-31)22(33)29-15-2-5-18(6-3-15)34-23(24,25)26/h2-7,10,12,17,32H,8-9,13H2,1H3,(H,29,33)/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	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 [64-515] (Homo sapiens (Human))	BDBM230793 (US9340537, 47 | US9896444, Example 47) Show SMILES Cn1c(ccc1-c1cc(cnc1N1CC[C@@H](O)C1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1)C#N |r| Show InChI InChI=1S/C23H20ClF2N5O3/c1-30-16(11-27)4-7-20(30)19-10-14(12-28-21(19)31-9-8-17(32)13-31)22(33)29-15-2-5-18(6-3-15)34-23(24,25)26/h2-7,10,12,17,32H,8-9,13H2,1H3,(H,29,33)/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	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 [64-515] (Homo sapiens (Human))	BDBM230793 (US9340537, 47 | US9896444, Example 47) Show SMILES Cn1c(ccc1-c1cc(cnc1N1CC[C@@H](O)C1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1)C#N |r| Show InChI InChI=1S/C23H20ClF2N5O3/c1-30-16(11-27)4-7-20(30)19-10-14(12-28-21(19)31-9-8-17(32)13-31)22(33)29-15-2-5-18(6-3-15)34-23(24,25)26/h2-7,10,12,17,32H,8-9,13H2,1H3,(H,29,33)/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	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 [64-515] (Homo sapiens (Human))	BDBM230793 (US9340537, 47 | US9896444, Example 47) Show SMILES Cn1c(ccc1-c1cc(cnc1N1CC[C@@H](O)C1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1)C#N |r| Show InChI InChI=1S/C23H20ClF2N5O3/c1-30-16(11-27)4-7-20(30)19-10-14(12-28-21(19)31-9-8-17(32)13-31)22(33)29-15-2-5-18(6-3-15)34-23(24,25)26/h2-7,10,12,17,32H,8-9,13H2,1H3,(H,29,33)/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	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