BDBM50438212 CHEMBL2407787

SMILES: CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1ccccc1CC#N

InChI Key: InChIKey=PXVURKNFXLGXEF-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50438212   

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 kinase kinase 7 interacting protein 1 (Homo sapiens (Human))	BDBM50438212 (CHEMBL2407787) Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1ccccc1CC#N Show InChI InChI=1S/C25H24N6O2/c1-16(32)30-10-7-19(8-11-30)31-15-18(13-29-31)22-14-28-25(27)24-21(22)12-23(33-24)20-5-3-2-4-17(20)6-9-26/h2-5,12-15,19H,6-8,10-11H2,1H3,(H2,27,28)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
OSI Pharmaceuticals LLC Curated by ChEMBL					Assay Description Inhibition of truncated TAK1-TAB1(unknown origin) using MKK7 as substrate by ALPHAScreen assay in presence of ATP				Bioorg Med Chem Lett 23: 4517-22 (2013) Article DOI: 10.1016/j.bmcl.2013.06.053 BindingDB Entry DOI: 10.7270/Q2ZK5J2K
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50438212 (CHEMBL2407787) Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1ccccc1CC#N Show InChI InChI=1S/C25H24N6O2/c1-16(32)30-10-7-19(8-11-30)31-15-18(13-29-31)22-14-28-25(27)24-21(22)12-23(33-24)20-5-3-2-4-17(20)6-9-26/h2-5,12-15,19H,6-8,10-11H2,1H3,(H2,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
OSI Pharmaceuticals LLC Curated by ChEMBL					Assay Description Inhibition of TAK1 in human HCT116 cells assessed as inhibition of TNF-alpha-stimulated JNK phosphorylation				Bioorg Med Chem Lett 23: 4517-22 (2013) Article DOI: 10.1016/j.bmcl.2013.06.053 BindingDB Entry DOI: 10.7270/Q2ZK5J2K
					More data for this Ligand-Target Pair