BDBM50156132 CHEMBL3780629

SMILES: COCCNC(=O)c1cc(CCOc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1

InChI Key: InChIKey=LYCKQJNDNWHGJD-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 = 50156132   

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
Mitogen-activated protein kinase 12 (Homo sapiens (Human))	BDBM50156132 (CHEMBL3780629) Show SMILES COCCNC(=O)c1cc(CCOc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1 Show InChI InChI=1S/C36H40N6O4/c1-24-10-12-26(13-11-24)42-33(23-32(41-42)36(2,3)4)40-35(44)39-29-14-15-31(28-9-7-6-8-27(28)29)46-20-17-25-16-18-37-30(22-25)34(43)38-19-21-45-5/h6-16,18,22-23H,17,19-21H2,1-5H3,(H,38,43)(H2,39,40,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sygnature Discovery Limited Curated by ChEMBL					Assay Description Inhibitory concentration required for in vitro binding affinity to cholinergic central Nicotinic acetylcholine receptor on rat brain cortex by using ...				J Med Chem 59: 1727-46 (2016) BindingDB Entry DOI: 10.7270/Q2319XRB
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50156132 (CHEMBL3780629) Show SMILES COCCNC(=O)c1cc(CCOc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1 Show InChI InChI=1S/C36H40N6O4/c1-24-10-12-26(13-11-24)42-33(23-32(41-42)36(2,3)4)40-35(44)39-29-14-15-31(28-9-7-6-8-27(28)29)46-20-17-25-16-18-37-30(22-25)34(43)38-19-21-45-5/h6-16,18,22-23H,17,19-21H2,1-5H3,(H,38,43)(H2,39,40,44)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Sygnature Discovery Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant p38 alpha assessed as phosphorylation of MAPKAP-K2 preincubated for 2 hrs followed by FRET peptide and MAPKAP-K2 addi...				J Med Chem 59: 1727-46 (2016) BindingDB Entry DOI: 10.7270/Q2319XRB
					More data for this Ligand-Target Pair
Tyrosine-protein kinase HCK (Homo sapiens (Human))	BDBM50156132 (CHEMBL3780629) Show SMILES COCCNC(=O)c1cc(CCOc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1 Show InChI InChI=1S/C36H40N6O4/c1-24-10-12-26(13-11-24)42-33(23-32(41-42)36(2,3)4)40-35(44)39-29-14-15-31(28-9-7-6-8-27(28)29)46-20-17-25-16-18-37-30(22-25)34(43)38-19-21-45-5/h6-16,18,22-23H,17,19-21H2,1-5H3,(H,38,43)(H2,39,40,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sygnature Discovery Limited Curated by ChEMBL					Assay Description Inhibition of HCK (unknown origin) preincubated for 2 hrs followed by FRET peptide addition measured after 1 hr by Z-LYTE assay				J Med Chem 59: 1727-46 (2016) BindingDB Entry DOI: 10.7270/Q2319XRB
					More data for this Ligand-Target Pair