BDBM50028059 CHEMBL3338866

SMILES: COc1ccc(CNC(=O)c2cc(cnc2-c2ccccn2)-c2cncc(Cl)c2)nc1OC

InChI Key: InChIKey=CKTWQGHVNRYNCM-UHFFFAOYSA-N

Data: 6 KI  3 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 9 hits for monomerid = 50028059   

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
Cytochrome P450 3A4 (Human)	BDBM50028059 (CHEMBL3338866) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Orexin/Hypocretin receptor type 1 (Human)	BDBM50028059 (CHEMBL3338866) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.79E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Orexin receptor type 2 (Human)	BDBM50028059 (CHEMBL3338866) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Orexin receptor type 2 (Human)	BDBM50028059 (CHEMBL3338866) Show SMILES Show InChI	GoogleScholar	UniChem		0.5	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
Orexin receptor type 2 (Human)	BDBM50028059 (CHEMBL3338866) Show SMILES Show InChI	GoogleScholar	UniChem		0.5	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
Orexin receptor type 2 (Human)	BDBM50028059 (CHEMBL3338866) Show SMILES Show InChI	GoogleScholar	UniChem		0.5	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
Orexin/Hypocretin receptor type 1 (Human)	BDBM50028059 (CHEMBL3338866) Show SMILES Show InChI	GoogleScholar	UniChem		1.58E+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
Orexin/Hypocretin receptor type 1 (Human)	BDBM50028059 (CHEMBL3338866) Show SMILES Show InChI	GoogleScholar	UniChem		1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 3A4 (Human)	BDBM50028059 (CHEMBL3338866) Show SMILES Show InChI	GoogleScholar	UniChem		9.50E+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