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 = 'BDBM181618'   

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))	BDBM181618 (US9139577, 4.124 | US9708274, 4.124) Show SMILES C[C@@H](Oc1nc(Cl)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C22H22ClF3N6O3S/c1-12-8-14(32-36(34)6-3-7-36)9-16-18(12)19(29-11-28-16)30-15-4-5-17(23)31-21(15)35-13(2)20(33)27-10-22(24,25)26/h4-5,8-9,11,13H,3,6-7,10H2,1-2H3,(H,27,33)(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 2 (Homo sapiens (Human))	BDBM181618 (US9139577, 4.124 | US9708274, 4.124) Show SMILES C[C@@H](Oc1nc(Cl)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C22H22ClF3N6O3S/c1-12-8-14(32-36(34)6-3-7-36)9-16-18(12)19(29-11-28-16)30-15-4-5-17(23)31-21(15)35-13(2)20(33)27-10-22(24,25)26/h4-5,8-9,11,13H,3,6-7,10H2,1-2H3,(H,27,33)(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