BDBM50530712 CHEMBL4591248

SMILES: c1cc(cc(c1)C(=O)N)C#C[C@@H](CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O

InChI Key: InChIKey=QRKSTGPKAQGBDD-UHFFFAOYSA-N

Data: 4 KI  18 IC50

PDB links: 1 PDB ID matches this monomer.

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 22 hits for monomerid = 50530712   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Thiopurine S-methyltransferase (Human)	BDBM50530712 (CHEMBL4591248) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Thiopurine S-methyltransferase (Human)	BDBM50530712 (CHEMBL4591248) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Histone-lysine N-methyltransferase, H3 lysine-79 specific (Human)	BDBM50530712 (CHEMBL4591248) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Protein arginine N-methyltransferase 1 (Human)	BDBM50530712 (CHEMBL4591248) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Histone-lysine N-methyltransferase ASH1L (Human)	BDBM50530712 (CHEMBL4591248) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Histone-lysine N-methyltransferase EHMT2 (Human)	BDBM50530712 (CHEMBL4591248) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase ASH1L (Human)	BDBM50530712 (CHEMBL4591248) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Indolethylamine N-methyltransferase (Human)	BDBM50530712 (CHEMBL4591248) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SETDB1 (Human)	BDBM50530712 (CHEMBL4591248) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1 (Human)	BDBM50530712 (CHEMBL4591248) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase, H3 lysine-79 specific (Human)	BDBM50530712 (CHEMBL4591248) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 1 (Human)	BDBM50530712 (CHEMBL4591248) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A (Human)	BDBM50530712 (CHEMBL4591248) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Indolethylamine N-methyltransferase (Human)	BDBM50530712 (CHEMBL4591248) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SETDB1 (Human)	BDBM50530712 (CHEMBL4591248) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1 (Human)	BDBM50530712 (CHEMBL4591248) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A (Human)	BDBM50530712 (CHEMBL4591248) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Human)	BDBM50530712 (CHEMBL4591248) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Nicotinamide N-methyltransferase (Human)	BDBM50530712 (CHEMBL4591248) Show SMILES Show InChI	GoogleScholar	UniChem		0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Nicotinamide N-methyltransferase (Human)	BDBM50530712 (CHEMBL4591248) Show SMILES Show InChI	GoogleScholar	UniChem		0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Nicotinamide N-methyltransferase (Human)	BDBM50530712 (CHEMBL4591248) Show SMILES Show InChI	GoogleScholar	UniChem		0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Nicotinamide N-methyltransferase (Human)	BDBM50530712 (CHEMBL4591248) Show SMILES Show InChI	GoogleScholar	UniChem		0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair