BDBM50236516 CHEMBL3731789

SMILES: CN(Cc1ccc2c(c1)nccn2)C(=O)c3ccc(cc3)N(Cc4ccccc4)C(=O)c5ccc(cc5O)O

InChI Key: InChIKey=ZFKNKAYLMPNXQG-UHFFFAOYSA-N

Data: 2 KI  2 IC50  1 Kd

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 5 hits for monomerid = 50236516   

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
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial (Human)	BDBM50236516 (CHEMBL3731789) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial (Human)	BDBM50236516 (CHEMBL3731789) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial (Human)	BDBM50236516 (CHEMBL3731789) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial (Human)	BDBM50236516 (CHEMBL3731789) Show SMILES Show InChI	GoogleScholar	UniChem		26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Heat shock protein HSP 90-alpha (Human)	BDBM50236516 (CHEMBL3731789) Show SMILES Show InChI	GoogleScholar	UniChem		1.02E+3	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