BDBM50444594 CHEMBL3099832

SMILES: Cn1cc(C2=C(C(=O)NC2=O)c2nn(CCN3CCOCC3)c3ncccc23)c2ccccc12

InChI Key: InChIKey=BDYUCALGCSDPCI-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 = 50444594   

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 3 (Homo sapiens (Human))	BDBM50444594 (CHEMBL3099832) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2nn(CCN3CCOCC3)c3ncccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C25H24N6O3/c1-29-15-18(16-5-2-3-7-19(16)29)20-21(25(33)27-24(20)32)22-17-6-4-8-26-23(17)31(28-22)10-9-30-11-13-34-14-12-30/h2-8,15H,9-14H2,1H3,(H,27,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant ERK1 (unknown origin) expressed in Escherichia coli				Eur J Med Chem 68: 361-71 (2013) Article DOI: 10.1016/j.ejmech.2013.07.046 BindingDB Entry DOI: 10.7270/Q25140P0
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50444594 (CHEMBL3099832) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2nn(CCN3CCOCC3)c3ncccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C25H24N6O3/c1-29-15-18(16-5-2-3-7-19(16)29)20-21(25(33)27-24(20)32)22-17-6-4-8-26-23(17)31(28-22)10-9-30-11-13-34-14-12-30/h2-8,15H,9-14H2,1H3,(H,27,32,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant IKK2 (unknown origin) expressed in baculovirus expression system				Eur J Med Chem 68: 361-71 (2013) Article DOI: 10.1016/j.ejmech.2013.07.046 BindingDB Entry DOI: 10.7270/Q25140P0
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50444594 (CHEMBL3099832) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2nn(CCN3CCOCC3)c3ncccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C25H24N6O3/c1-29-15-18(16-5-2-3-7-19(16)29)20-21(25(33)27-24(20)32)22-17-6-4-8-26-23(17)31(28-22)10-9-30-11-13-34-14-12-30/h2-8,15H,9-14H2,1H3,(H,27,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant aurora kinase A (unknown origin) expressed in Escherichia coli				Eur J Med Chem 68: 361-71 (2013) Article DOI: 10.1016/j.ejmech.2013.07.046 BindingDB Entry DOI: 10.7270/Q25140P0
					More data for this Ligand-Target Pair