BDBM354757 US9814704, Example 34

SMILES: COc1cc(ccc1OCCN1CCNCC1)-c1cnc2n(cc(-c3ccc4[nH]ccc4c3)c2c1)S(=O)(=O)c1ccc(C)cc1

InChI Key: InChIKey=ZWNHANXVJIDGIB-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 354757   

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))	BDBM354757 (US9814704, Example 34) Show SMILES COc1cc(ccc1OCCN1CCNCC1)-c1cnc2n(cc(-c3ccc4[nH]ccc4c3)c2c1)S(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C35H35N5O4S/c1-24-3-7-29(8-4-24)45(41,42)40-23-31(26-5-9-32-27(19-26)11-12-37-32)30-20-28(22-38-35(30)40)25-6-10-33(34(21-25)43-2)44-18-17-39-15-13-36-14-16-39/h3-12,19-23,36-37H,13-18H2,1-2H3	PDB NCI pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	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