Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'MAP kinase-interacting serine/threonine-protein kinase 2' and Ligand = 'BDBM181616'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM181616 (US9139577, 4.122 | US9708274, 4.122) Show SMILES C[C@@H](Oc1cc(Cl)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C23H23ClF3N5O3S/c1-13-8-16(32-36(34)6-3-7-36)10-18-20(13)21(30-12-29-18)31-17-5-4-15(24)9-19(17)35-14(2)22(33)28-11-23(25,26)27/h4-5,8-10,12,14H,3,6-7,11H2,1-2H3,(H,28,33)(H,29,30,31)/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))	BDBM181616 (US9139577, 4.122 | US9708274, 4.122) Show SMILES C[C@@H](Oc1cc(Cl)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C23H23ClF3N5O3S/c1-13-8-16(32-36(34)6-3-7-36)10-18-20(13)21(30-12-29-18)31-17-5-4-15(24)9-19(17)35-14(2)22(33)28-11-23(25,26)27/h4-5,8-10,12,14H,3,6-7,11H2,1-2H3,(H,28,33)(H,29,30,31)/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