BDBM10015 2-[3-(1-cyano-1-methylethyl)-5-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile::2-[3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methyl-propanenitrile::ANASTROZOLE::CHEMBL1399::NSC719344::arimidex

SMILES: CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)C(C)(C)C#N

InChI Key: InChIKey=YBBLVLTVTVSKRW-UHFFFAOYSA-N

Data: 1 KI  16 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 17 hits for monomerid = 10015   

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
Aromatase (Human)	BDBM10015 (NSC719344 | arimidex | 2-[3-(1-cyano-1-methylethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
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Aromatase (Human)	BDBM10015 (NSC719344 | arimidex | 2-[3-(1-cyano-1-methylethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
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Aromatase (Human)	BDBM10015 (NSC719344 | arimidex | 2-[3-(1-cyano-1-methylethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
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UDP-glucuronosyltransferase 1A4 (Human)	BDBM10015 (NSC719344 | arimidex | 2-[3-(1-cyano-1-methylethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Aromatase (Human)	BDBM10015 (NSC719344 | arimidex | 2-[3-(1-cyano-1-methylethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
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Aromatase (Human)	BDBM10015 (NSC719344 | arimidex | 2-[3-(1-cyano-1-methylethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
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Aromatase (Human)	BDBM10015 (NSC719344 | arimidex | 2-[3-(1-cyano-1-methylethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
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Aromatase (Human)	BDBM10015 (NSC719344 | arimidex | 2-[3-(1-cyano-1-methylethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
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Aromatase (Human)	BDBM10015 (NSC719344 | arimidex | 2-[3-(1-cyano-1-methylethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	600	n/a	n/a	n/a	n/a	7.4	37
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Aromatase (Human)	BDBM10015 (NSC719344 | arimidex | 2-[3-(1-cyano-1-methylethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
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Aromatase (Human)	BDBM10015 (NSC719344 | arimidex | 2-[3-(1-cyano-1-methylethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
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ATP-binding cassette sub-family C member 3 (Human)	BDBM10015 (NSC719344 | arimidex | 2-[3-(1-cyano-1-methylethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
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ATP-binding cassette sub-family C member 2 (Human)	BDBM10015 (NSC719344 | arimidex | 2-[3-(1-cyano-1-methylethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Bile salt export pump (Human)	BDBM10015 (NSC719344 | arimidex | 2-[3-(1-cyano-1-methylethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
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ATP-binding cassette sub-family C member 4 (Human)	BDBM10015 (NSC719344 | arimidex | 2-[3-(1-cyano-1-methylethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Aromatase (Human)	BDBM10015 (NSC719344 | arimidex | 2-[3-(1-cyano-1-methylethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	37
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Aromatase (Human)	BDBM10015 (NSC719344 | arimidex | 2-[3-(1-cyano-1-methylethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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