BDBM354856 US10485800, Example 133::US9814704, Example 133

SMILES: COc1cc(cc(OC)c1OC)-c1cnc2NC(=O)C(=Cc3ccc(cc3)C#N)c2c1

InChI Key: InChIKey=WCXQFXJVCJRVLE-UFWORHAWSA-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 = 354856   

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))	BDBM354856 (US10485800, Example 133 | US9814704, Example 133) Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2NC(=O)C(=Cc3ccc(cc3)C#N)c2c1 |w:20.21| Show InChI InChI=1S/C24H19N3O4/c1-29-20-10-16(11-21(30-2)22(20)31-3)17-9-18-19(24(28)27-23(18)26-13-17)8-14-4-6-15(12-25)7-5-14/h4-11,13H,1-3H3,(H,26,27,28)/b19-8+	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; Board of Regents of the University of Nebraska 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 US10485800 (2019) BindingDB Entry DOI: 10.7270/Q22B91DW
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11 (Homo sapiens (Human))	BDBM354856 (US10485800, Example 133 | US9814704, Example 133) Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2NC(=O)C(=Cc3ccc(cc3)C#N)c2c1 |w:20.21| Show InChI InChI=1S/C24H19N3O4/c1-29-20-10-16(11-21(30-2)22(20)31-3)17-9-18-19(24(28)27-23(18)26-13-17)8-14-4-6-15(12-25)7-5-14/h4-11,13H,1-3H3,(H,26,27,28)/b19-8+	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