BDBM375525 4-(6-(4-(piperazine-1-carbonyl)phenyl)imidazo[1,2-b]pyridazin-3-yl)benzonitrile::US9908886, Example 65

SMILES: O=C(N1CCNCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1

InChI Key: InChIKey=TVBANCDFRJJEKJ-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 375525   

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))	BDBM375525 (4-(6-(4-(piperazine-1-carbonyl)phenyl)imidazo[1,2-...) Show SMILES O=C(N1CCNCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1 Show InChI InChI=1S/C24H20N6O/c25-15-17-1-3-19(4-2-17)22-16-27-23-10-9-21(28-30(22)23)18-5-7-20(8-6-18)24(31)29-13-11-26-12-14-29/h1-10,16,26H,11-14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi					Assay Description MNK1 and MNK2 inhibitor activity was determined using recombinant kinase domains expressed in E. coli. MNK1 and MNK2 were expressed as GST fusion pro...				J Med Chem 50: 3841-50 (2007) BindingDB Entry DOI: 10.7270/Q2XP777K
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM375525 (4-(6-(4-(piperazine-1-carbonyl)phenyl)imidazo[1,2-...) Show SMILES O=C(N1CCNCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1 Show InChI InChI=1S/C24H20N6O/c25-15-17-1-3-19(4-2-17)22-16-27-23-10-9-21(28-30(22)23)18-5-7-20(8-6-18)24(31)29-13-11-26-12-14-29/h1-10,16,26H,11-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi					Assay Description MNK1 and MNK2 inhibitor activity was determined using recombinant kinase domains expressed in E. coli. MNK1 and MNK2 were expressed as GST fusion pro...				J Med Chem 50: 3841-50 (2007) BindingDB Entry DOI: 10.7270/Q2XP777K
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM375525 (4-(6-(4-(piperazine-1-carbonyl)phenyl)imidazo[1,2-...) Show SMILES O=C(N1CCNCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1 Show InChI InChI=1S/C24H20N6O/c25-15-17-1-3-19(4-2-17)22-16-27-23-10-9-21(28-30(22)23)18-5-7-20(8-6-18)24(31)29-13-11-26-12-14-29/h1-10,16,26H,11-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins followed by NADPH addition measured after 5 mins ...				J Med Chem 61: 4348-4369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01714 BindingDB Entry DOI: 10.7270/Q20004P7
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM375525 (4-(6-(4-(piperazine-1-carbonyl)phenyl)imidazo[1,2-...) Show SMILES O=C(N1CCNCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1 Show InChI InChI=1S/C24H20N6O/c25-15-17-1-3-19(4-2-17)22-16-27-23-10-9-21(28-30(22)23)18-5-7-20(8-6-18)24(31)29-13-11-26-12-14-29/h1-10,16,26H,11-14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of GST-tagged MNK1 (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using JH3 peptide as substrate preincubat...				J Med Chem 61: 4348-4369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01714 BindingDB Entry DOI: 10.7270/Q20004P7
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1/2 (Homo sapiens (Human))	BDBM375525 (4-(6-(4-(piperazine-1-carbonyl)phenyl)imidazo[1,2-...) Show SMILES O=C(N1CCNCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1 Show InChI InChI=1S/C24H20N6O/c25-15-17-1-3-19(4-2-17)22-16-27-23-10-9-21(28-30(22)23)18-5-7-20(8-6-18)24(31)29-13-11-26-12-14-29/h1-10,16,26H,11-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of MNK1/2 in human HeLa cells assessed as decrease in eIF4E phosphorylation at Ser209 after 2 hrs by AlphaScreen assay				J Med Chem 61: 4348-4369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01714 BindingDB Entry DOI: 10.7270/Q20004P7
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM375525 (4-(6-(4-(piperazine-1-carbonyl)phenyl)imidazo[1,2-...) Show SMILES O=C(N1CCNCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1 Show InChI InChI=1S/C24H20N6O/c25-15-17-1-3-19(4-2-17)22-16-27-23-10-9-21(28-30(22)23)18-5-7-20(8-6-18)24(31)29-13-11-26-12-14-29/h1-10,16,26H,11-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of GST-tagged MNK2 (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using JH3 peptide as substrate preincubat...				J Med Chem 61: 4348-4369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01714 BindingDB Entry DOI: 10.7270/Q20004P7
					More data for this Ligand-Target Pair