BDBM181533 US9139577, 4.039::US9708274, 4.039

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

InChI Key: InChIKey=KAUYIHQCHZAGQV-CQSZACIVSA-N

Data: 2 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 2 hits for monomerid = 181533   

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))	BDBM181533 (US9139577, 4.039 | US9708274, 4.039) Show SMILES C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)NCC#N |r| Show InChI InChI=1S/C22H23FN6O3S/c1-13-9-16(29-33(3,4)31)11-18-20(13)21(27-12-26-18)28-17-6-5-15(23)10-19(17)32-14(2)22(30)25-8-7-24/h5-6,9-12,14H,8H2,1-4H3,(H,25,30)(H,26,27,28)/t14-/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 2 (Homo sapiens (Human))	BDBM181533 (US9139577, 4.039 | US9708274, 4.039) Show SMILES C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)NCC#N |r| Show InChI InChI=1S/C22H23FN6O3S/c1-13-9-16(29-33(3,4)31)11-18-20(13)21(27-12-26-18)28-17-6-5-15(23)10-19(17)32-14(2)22(30)25-8-7-24/h5-6,9-12,14H,8H2,1-4H3,(H,25,30)(H,26,27,28)/t14-/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