BDBM13061 4,4 -(1H-1,2,4-triazol-1-ylmethanediyl)dibenzonitrile::4-[(4-cyanophenyl)(1H-1,2,4-triazol-1-yl)methyl]benzonitrile::CHEMBL1444::Letrozole

SMILES: N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1cncn1

InChI Key: InChIKey=HPJKCIUCZWXJDR-UHFFFAOYSA-N

Data: 2 KI  49 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 55 hits for monomerid = 13061   

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)	BDBM13061 (CHEMBL1444 | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.90	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 2 (Human)	BDBM13061 (CHEMBL1444 | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	7.8	20
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Aromatase (Human)	BDBM13061 (CHEMBL1444 | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aromatase (Human)	BDBM13061 (CHEMBL1444 | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	279	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)	BDBM13061 (CHEMBL1444 | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	26	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)	BDBM13061 (CHEMBL1444 | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	11.5	n/a	n/a	n/a	n/a	n/a	n/a
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Aromatase (Human)	BDBM13061 (CHEMBL1444 | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
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Aromatase (Human)	BDBM13061 (CHEMBL1444 | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aromatase (Human)	BDBM13061 (CHEMBL1444 | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aromatase (Human)	BDBM13061 (CHEMBL1444 | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aromatase (Human)	BDBM13061 (CHEMBL1444 | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aromatase (Human)	BDBM13061 (CHEMBL1444 | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aromatase (Human)	BDBM13061 (CHEMBL1444 | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.890	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aromatase (Human)	BDBM13061 (CHEMBL1444 | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	11.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aromatase (Human)	BDBM13061 (CHEMBL1444 | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aromatase (Human)	BDBM13061 (CHEMBL1444 | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 11B2, mitochondrial (Human)	BDBM13061 (CHEMBL1444 | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 11B1, mitochondrial (Human)	BDBM13061 (CHEMBL1444 | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Aromatase (Human)	BDBM13061 (CHEMBL1444 | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aromatase (Human)	BDBM13061 (CHEMBL1444 | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aromatase (Human)	BDBM13061 (CHEMBL1444 | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aromatase (Human)	BDBM13061 (CHEMBL1444 | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aromatase (Human)	BDBM13061 (CHEMBL1444 | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aromatase (Human)	BDBM13061 (CHEMBL1444 | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.890	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aromatase (Human)	BDBM13061 (CHEMBL1444 | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aromatase (Human)	BDBM13061 (CHEMBL1444 | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aromatase (Human)	BDBM13061 (CHEMBL1444 | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aromatase (Human)	BDBM13061 (CHEMBL1444 | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aromatase (Human)	BDBM13061 (CHEMBL1444 | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.890	n/a	n/a	n/a	n/a	7.5	37
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Aromatase [1-48] (Human)	BDBM13061 (CHEMBL1444 | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aromatase (Human)	BDBM13061 (CHEMBL1444 | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.80	n/a	n/a	n/a	n/a	7.5	37
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Bile salt export pump (Human)	BDBM13061 (CHEMBL1444 | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.25E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Bile salt export pump (Human)	BDBM13061 (CHEMBL1444 | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1...) 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
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aromatase (Human)	BDBM13061 (CHEMBL1444 | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aromatase (Human)	BDBM13061 (CHEMBL1444 | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aromatase (Human)	BDBM13061 (CHEMBL1444 | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aromatase (Human)	BDBM13061 (CHEMBL1444 | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aromatase (Human)	BDBM13061 (CHEMBL1444 | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aromatase (Human)	BDBM13061 (CHEMBL1444 | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aromatase (Human)	BDBM13061 (CHEMBL1444 | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aromatase (Human)	BDBM13061 (CHEMBL1444 | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aromatase (Human)	BDBM13061 (CHEMBL1444 | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aromatase (Human)	BDBM13061 (CHEMBL1444 | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aromatase (Human)	BDBM13061 (CHEMBL1444 | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aromatase (Human)	BDBM13061 (CHEMBL1444 | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
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Estrogen receptor (Human)	BDBM13061 (CHEMBL1444 | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1...) 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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Aromatase (Human)	BDBM13061 (CHEMBL1444 | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aromatase (Human)	BDBM13061 (CHEMBL1444 | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aromatase (Human)	BDBM13061 (CHEMBL1444 | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aromatase (Human)	BDBM13061 (CHEMBL1444 | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
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