BDBM50236519 CHEMBL3727843

SMILES: Cc1cnc(Cl)nc1-c1ccc(cc1)N(Cc1ccc(CN2CCCC2)cc1)C(=O)c1ccc(O)cc1O

InChI Key: InChIKey=WJKWCGYIPOTSBR-UHFFFAOYSA-N

Data: 2 KI  2 IC50  1 Kd

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 = 50236519   

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)	BDBM50236519 (CHEMBL3727843) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	78	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)	BDBM50236519 (CHEMBL3727843) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.15E+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)	BDBM50236519 (CHEMBL3727843) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	101	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)	BDBM50236519 (CHEMBL3727843) Show SMILES Show InChI	GoogleScholar	UniChem		37	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
Heat shock protein HSP 90-alpha (Human)	BDBM50236519 (CHEMBL3727843) Show SMILES Show InChI	GoogleScholar	UniChem		3.21E+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