BDBM98040 US8486953, 53

SMILES: CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)c(C)c12

InChI Key: InChIKey=RTSIVZFZSQNFQG-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 98040   

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 1 (Homo sapiens (Human))	BDBM98040 (US8486953, 53) Show SMILES CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)c(C)c12 Show InChI InChI=1S/C22H28FN5O2S/c1-13(2)30-17-11-15(23)7-8-16(17)27-20-18-14(3)19(31-22(18)26-12-25-20)21(29)24-9-6-10-28(4)5/h7-8,11-13H,6,9-10H2,1-5H3,(H,24,29)(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	7.4	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In vitro kinase assay using human Mnk1 and Mnk2.				US Patent US8486953 (2013) BindingDB Entry DOI: 10.7270/Q2TM78R3
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM98040 (US8486953, 53) Show SMILES CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)c(C)c12 Show InChI InChI=1S/C22H28FN5O2S/c1-13(2)30-17-11-15(23)7-8-16(17)27-20-18-14(3)19(31-22(18)26-12-25-20)21(29)24-9-6-10-28(4)5/h7-8,11-13H,6,9-10H2,1-5H3,(H,24,29)(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.4	30
Boehringer Ingelheim International GmbH US Patent					Assay Description Inhibition of kinase activity of Mnk1 and Mnk2a was assessed with the same assay system, using pre-activated GST-Mnk1 or GST-Mnk2a, respectively. The...				US Patent US8853193 (2014) BindingDB Entry DOI: 10.7270/Q2GX4983
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM98040 (US8486953, 53) Show SMILES CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)c(C)c12 Show InChI InChI=1S/C22H28FN5O2S/c1-13(2)30-17-11-15(23)7-8-16(17)27-20-18-14(3)19(31-22(18)26-12-25-20)21(29)24-9-6-10-28(4)5/h7-8,11-13H,6,9-10H2,1-5H3,(H,24,29)(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.4	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In vitro kinase assay using human Mnk1 and Mnk2.				US Patent US8486953 (2013) BindingDB Entry DOI: 10.7270/Q2TM78R3
					More data for this Ligand-Target Pair