BDBM181565 US9139577, 4.071::US9708274, 4.071

SMILES: C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)NCC(F)(F)F

InChI Key: InChIKey=VKZOMKUUMGEJLL-CYBMUJFWSA-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 = 181565   

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
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM181565 (US9139577, 4.071 | US9708274, 4.071) Show SMILES C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C22H23F4N5O3S/c1-12-7-15(31-35(3,4)33)9-17-19(12)20(29-11-28-17)30-16-6-5-14(23)8-18(16)34-13(2)21(32)27-10-22(24,25)26/h5-9,11,13H,10H2,1-4H3,(H,27,32)(H,28,29,30)/t13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The inhibition of kinase activity of MNK2a was assessed using pre-activated GST-MNK2a. The white, 384-well OptiPlate F plates were purchased from Per...				US Patent US9139577 (2015) BindingDB Entry DOI: 10.7270/Q2K64GT1
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM181565 (US9139577, 4.071 | US9708274, 4.071) Show SMILES C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C22H23F4N5O3S/c1-12-7-15(31-35(3,4)33)9-17-19(12)20(29-11-28-17)30-16-6-5-14(23)8-18(16)34-13(2)21(32)27-10-22(24,25)26/h5-9,11,13H,10H2,1-4H3,(H,27,32)(H,28,29,30)/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	7.5	n/a
EVOTEC INTERNATIONAL GMBH US Patent					Assay Description The inhibition of kinase activity of MNK1a was assessed using pre-activated GST-MNK1a. The 2xMKNK1 (MNK1) mixture is prepared in 50 mM HEPES pH 7.5, ...				US Patent US9708274 (2017) BindingDB Entry DOI: 10.7270/Q2VX0JJG
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM181565 (US9139577, 4.071 | US9708274, 4.071) Show SMILES C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C22H23F4N5O3S/c1-12-7-15(31-35(3,4)33)9-17-19(12)20(29-11-28-17)30-16-6-5-14(23)8-18(16)34-13(2)21(32)27-10-22(24,25)26/h5-9,11,13H,10H2,1-4H3,(H,27,32)(H,28,29,30)/t13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	25
EVOTEC INTERNATIONAL GMBH US Patent					Assay Description The inhibition of kinase activity of MNK2a was assessed using pre-activated GST-MNK2a. The white, 384-well OptiPlate F plates were purchased from Per...				US Patent US9708274 (2017) BindingDB Entry DOI: 10.7270/Q2VX0JJG
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM181565 (US9139577, 4.071 | US9708274, 4.071) Show SMILES C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C22H23F4N5O3S/c1-12-7-15(31-35(3,4)33)9-17-19(12)20(29-11-28-17)30-16-6-5-14(23)8-18(16)34-13(2)21(32)27-10-22(24,25)26/h5-9,11,13H,10H2,1-4H3,(H,27,32)(H,28,29,30)/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The Z-LYTE biochemical assay employs a fluorescence-based, coupled-enzyme format and is based on the differential sensitivity of phosphorylated and n...				US Patent US9139577 (2015) BindingDB Entry DOI: 10.7270/Q2K64GT1
					More data for this Ligand-Target Pair