BDBM354852 Preparation of (E)- and (Z)-3-pyridin-4-ylmethylene-5-(3,4,5-trimethoxy-phenyl)-1,3-dihydro-pyrrolo[2,3-b]pyridin-2-one::US9814704, Example 129

SMILES: COc1cc(cc(OC)c1OC)-c1cnc2NC(=O)\C(=C\c3ccncc3)c2c1

InChI Key: InChIKey=FQWUBDDFDBNOPL-CAOOACKPSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 354852   

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 11 (Homo sapiens (Human))	BDBM354852 (Preparation of (E)- and (Z)-3-pyridin-4-ylmethylen...) Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2NC(=O)\C(=C\c3ccncc3)c2c1 Show InChI InChI=1S/C22H19N3O4/c1-27-18-10-14(11-19(28-2)20(18)29-3)15-9-16-17(8-13-4-6-23-7-5-13)22(26)25-21(16)24-12-15/h4-12H,1-3H3,(H,24,25,26)/b17-8+	PDB NCI pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Rochester US Patent					Assay Description 200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...				US Patent US9814704 (2017) BindingDB Entry DOI: 10.7270/Q27H1MRN
					More data for this Ligand-Target Pair