Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 385.4 BDBM637262

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Protein delta homolog 1 (Homo sapiens (Human))	BDBM637262 (US20230382904, Compound 177) Show SMILES CCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1 |r,wU:6.9,wD:3.2,(-10.69,-2.07,;-9.17,-2.3,;-8.2,-1.11,;-6.67,-1.29,;-6.07,-2.71,;-4.54,-2.9,;-3.62,-1.67,;-4.21,-.26,;-5.74,-.07,;-2.08,-1.82,;-1.19,-.57,;-1.83,.83,;.34,-.72,;1.37,.44,;2.78,-.18,;2.63,-1.71,;1.13,-2.04,;4.11,.59,;4.11,2.13,;5.44,2.9,;6.78,2.13,;8.24,2.61,;9.15,1.36,;10.69,1.36,;8.24,.12,;6.78,.59,;5.44,-.18,)| Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.60E+3	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 13 (Homo sapiens (Human))	BDBM637262 (US20230382904, Compound 177) Show SMILES CCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1 |r,wU:6.9,wD:3.2,(-10.69,-2.07,;-9.17,-2.3,;-8.2,-1.11,;-6.67,-1.29,;-6.07,-2.71,;-4.54,-2.9,;-3.62,-1.67,;-4.21,-.26,;-5.74,-.07,;-2.08,-1.82,;-1.19,-.57,;-1.83,.83,;.34,-.72,;1.37,.44,;2.78,-.18,;2.63,-1.71,;1.13,-2.04,;4.11,.59,;4.11,2.13,;5.44,2.9,;6.78,2.13,;8.24,2.61,;9.15,1.36,;10.69,1.36,;8.24,.12,;6.78,.59,;5.44,-.18,)| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair