BDBM50429614 CHEMBL2334589

SMILES: COCCOc1cnc(N)nc1-c1c[nH]c2ccc(cc12)C#CC(C)(C)O

InChI Key: InChIKey=ZZIZLABGKZWVAW-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50429614   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM50429614 (CHEMBL2334589) Show SMILES COCCOc1cnc(N)nc1-c1c[nH]c2ccc(cc12)C#CC(C)(C)O Show InChI InChI=1S/C20H22N4O3/c1-20(2,25)7-6-13-4-5-16-14(10-13)15(11-22-16)18-17(27-9-8-26-3)12-23-19(21)24-18/h4-5,10-12,22,25H,8-9H2,1-3H3,(H2,21,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of NIK (unknown origin) autophosphorylation after 1 hr by chemiluminescent assay				Bioorg Med Chem Lett 23: 1238-44 (2013) Article DOI: 10.1016/j.bmcl.2013.01.012 BindingDB Entry DOI: 10.7270/Q2J967RQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM50429614 (CHEMBL2334589) Show SMILES COCCOc1cnc(N)nc1-c1c[nH]c2ccc(cc12)C#CC(C)(C)O Show InChI InChI=1S/C20H22N4O3/c1-20(2,25)7-6-13-4-5-16-14(10-13)15(11-22-16)18-17(27-9-8-26-3)12-23-19(21)24-18/h4-5,10-12,22,25H,8-9H2,1-3H3,(H2,21,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of NIK in human HT-29 cells assessed as LTalpha/beta2-induced p100 processing to NFkappaB2 preincubated for 30 mins before LTalpha/beta2 s...				Bioorg Med Chem Lett 23: 1238-44 (2013) Article DOI: 10.1016/j.bmcl.2013.01.012 BindingDB Entry DOI: 10.7270/Q2J967RQ
					More data for this Ligand-Target Pair				3D Structure (crystal)