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SMILES: COCCOc1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1[C@H](C)CO

InChI Key: InChIKey=MVTXFSNDWXCZAL-CQSZACIVSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50212254   

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 5 (Homo sapiens (Human))	BDBM50212254 (CHEMBL3975466) Show SMILES COCCOc1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1[C@H](C)CO |r| Show InChI InChI=1S/C21H23N5O4/c1-14(12-27)26-13-22-24-20(26)18-4-3-5-19(23-18)25-11-15-6-7-16(30-9-8-29-2)10-17(15)21(25)28/h3-7,10,13-14,27H,8-9,11-12H2,1-2H3/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged ASK1 catalytic domain (654 to 971 residues) expressed in baculovirus infected sf21 cells using ...				ACS Med Chem Lett 8: 316-320 (2017) Article DOI: 10.1021/acsmedchemlett.6b00481 BindingDB Entry DOI: 10.7270/Q2BC41QV
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50212254 (CHEMBL3975466) Show SMILES COCCOc1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1[C@H](C)CO |r| Show InChI InChI=1S/C21H23N5O4/c1-14(12-27)26-13-22-24-20(26)18-4-3-5-19(23-18)25-11-15-6-7-16(30-9-8-29-2)10-17(15)21(25)28/h3-7,10,13-14,27H,8-9,11-12H2,1-2H3/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
Takeda Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human ASK1 expressed in HEK293 cells assessed as inhibition of H2O2-induced JNK phosphorylation preincubated for 30 mins followed by H2...				ACS Med Chem Lett 8: 316-320 (2017) Article DOI: 10.1021/acsmedchemlett.6b00481 BindingDB Entry DOI: 10.7270/Q2BC41QV
					More data for this Ligand-Target Pair