BDBM548830 WO2022098806, Compound 2-91::WO2022098806, Compound 2-92

SMILES: Cc1c2NCCOc2ncc1-c1c(F)c(N)c2cnc(Nc3ccc(CS(C)(=O)=O)cc3)nc2c1Cl

InChI Key:

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 = 548830   

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))	BDBM548830 (WO2022098806, Compound 2-91 | WO2022098806, Compou...) Show SMILES Cc1c2NCCOc2ncc1-c1c(F)c(N)c2cnc(Nc3ccc(CS(C)(=O)=O)cc3)nc2c1Cl |(1.67,-1.94,;3,-1.17,;4.33,-1.94,;4.34,-3.48,;5.67,-4.25,;7,-3.48,;7,-1.94,;5.67,-1.17,;5.67,.37,;4.33,1.14,;3,.37,;1.67,1.14,;1.67,2.68,;3,3.45,;.33,3.45,;.33,4.99,;-1,2.68,;-2.33,3.45,;-3.66,2.68,;-3.66,1.14,;-5,.37,;-5,-1.17,;-6.33,-1.94,;-6.33,-3.47,;-5,-4.25,;-5,-5.79,;-3.66,-6.56,;-2.33,-5.79,;-3.66,-8.1,;-3.66,-5.02,;-3.66,-3.48,;-3.66,-1.94,;-2.33,.37,;-1,1.14,;.33,.37,;.33,-1.17,)| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM548830 (WO2022098806, Compound 2-91 | WO2022098806, Compou...) Show SMILES Cc1c2NCCOc2ncc1-c1c(F)c(N)c2cnc(Nc3ccc(CS(C)(=O)=O)cc3)nc2c1Cl |(1.67,-1.94,;3,-1.17,;4.33,-1.94,;4.34,-3.48,;5.67,-4.25,;7,-3.48,;7,-1.94,;5.67,-1.17,;5.67,.37,;4.33,1.14,;3,.37,;1.67,1.14,;1.67,2.68,;3,3.45,;.33,3.45,;.33,4.99,;-1,2.68,;-2.33,3.45,;-3.66,2.68,;-3.66,1.14,;-5,.37,;-5,-1.17,;-6.33,-1.94,;-6.33,-3.47,;-5,-4.25,;-5,-5.79,;-3.66,-6.56,;-2.33,-5.79,;-3.66,-8.1,;-3.66,-5.02,;-3.66,-3.48,;-3.66,-1.94,;-2.33,.37,;-1,1.14,;.33,.37,;.33,-1.17,)| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.32	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair