null

SMILES: CNC(=O)c1cc(Nc2nc(cc3ncn(C4CC4)c23)-c2ccc3c(c2)N([C@H]2C[C@H](C2)N2CCCCC2)C(=O)C32CCN(CC2)C(=O)C23CC(F)(C2)C3)ccc1C

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 529747   

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 kinase 1 (Homo sapiens (Human))	BDBM529747 (US11203591, Example 154) Show SMILES CNC(=O)c1cc(Nc2nc(cc3ncn(C4CC4)c23)-c2ccc3c(c2)N([C@H]2C[C@H](C2)N2CCCCC2)C(=O)C32CCN(CC2)C(=O)C23CC(F)(C2)C3)ccc1C |r,wU:27.30,29.35,(1.55,-10.87,;1.55,-9.33,;.21,-8.56,;-1.12,-9.33,;.21,-7.02,;1.55,-6.25,;1.55,-4.71,;2.88,-3.94,;2.88,-2.4,;1.55,-1.63,;1.55,-.09,;2.88,.68,;4.21,-.09,;5.68,.38,;6.58,-.86,;5.68,-2.11,;6.08,-3.6,;5.68,-5.08,;7.17,-4.69,;4.21,-1.63,;.21,.68,;.21,2.22,;-1.12,2.99,;-2.45,2.22,;-2.45,.68,;-1.12,-.09,;-3.92,.2,;-4.32,-1.29,;-3.55,-2.62,;-4.88,-3.39,;-5.65,-2.06,;-5.28,-4.88,;-6.77,-5.28,;-7.17,-6.76,;-6.08,-7.85,;-4.59,-7.45,;-4.19,-5.97,;-4.82,1.45,;-6.36,1.45,;-3.92,2.69,;-2.83,3.78,;-3.23,5.27,;-4.72,5.67,;-5.81,4.58,;-5.41,3.09,;-5.11,7.16,;-6.6,7.55,;-4.03,8.24,;-2.49,8.24,;-2.49,9.78,;-1.4,10.87,;-4.03,9.78,;-3.48,9.19,;.21,-3.94,;-1.12,-4.71,;-1.12,-6.25,;-2.45,-7.02,)| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2833W6Q
					More data for this Ligand-Target Pair