BDBM50434787 CHEMBL2386635::US10487083, Example C::US10703751, Example 644 of WO2011086053::US11059823, Example C

SMILES: C[C@H](c1nc2cnc3c(c2n1C4CCC(CC4)CC#N)cc[nH]3)O

InChI Key: InChIKey=IKSRDHMMQOCRHN-UHFFFAOYSA-N

Data: 2 KI  12 IC50  6 EC50

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 20 hits for monomerid = 50434787   

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
Tyrosine-protein kinase JAK2 [532-1132] (Human)	BDBM50434787 (CHEMBL2386635 | US10703751, Example 644 of WO20110...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2C9 (Human)	BDBM50434787 (CHEMBL2386635 | US10703751, Example 644 of WO20110...) 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
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Cytochrome P450 2D6 (Human)	BDBM50434787 (CHEMBL2386635 | US10703751, Example 644 of WO20110...) 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
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Cytochrome P450 2C19 (Human)	BDBM50434787 (CHEMBL2386635 | US10703751, Example 644 of WO20110...) 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
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Cytochrome P450 1A2 (Human)	BDBM50434787 (CHEMBL2386635 | US10703751, Example 644 of WO20110...) 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
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Tyrosine-protein kinase JAK1 (Human)	BDBM50434787 (CHEMBL2386635 | US10703751, Example 644 of WO20110...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	5.70	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase JAK1 (Human)	BDBM50434787 (CHEMBL2386635 | US10703751, Example 644 of WO20110...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	28	n/a	n/a	n/a	n/a
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Non-receptor tyrosine-protein kinase TYK2 (Human)	BDBM50434787 (CHEMBL2386635 | US10703751, Example 644 of WO20110...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase JAK3 (Human)	BDBM50434787 (CHEMBL2386635 | US10703751, Example 644 of WO20110...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	49.7	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Human)	BDBM50434787 (CHEMBL2386635 | US10703751, Example 644 of WO20110...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase JAK1 (Human)	BDBM50434787 (CHEMBL2386635 | US10703751, Example 644 of WO20110...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	<0.200	n/a	n/a	n/a	n/a	n/a	n/a
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Non-receptor tyrosine-protein kinase TYK2 [871-1187] (Human)	BDBM50434787 (CHEMBL2386635 | US10703751, Example 644 of WO20110...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	3.32	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Human)	BDBM50434787 (CHEMBL2386635 | US10703751, Example 644 of WO20110...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	13.1	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Human)	BDBM50434787 (CHEMBL2386635 | US10703751, Example 644 of WO20110...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	3.34	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase JAK1 [850-1154] (Human)	BDBM50434787 (CHEMBL2386635 | US10703751, Example 644 of WO20110...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	0.340	n/a	n/a	n/a	n/a
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Non-receptor tyrosine-protein kinase TYK2 [580-1182] (Human)	BDBM50434787 (CHEMBL2386635 | US10703751, Example 644 of WO20110...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase JAK3 [512-1124] (Human)	BDBM50434787 (CHEMBL2386635 | US10703751, Example 644 of WO20110...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	49.7	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [574-1154] (Human)	BDBM50434787 (CHEMBL2386635 | US10703751, Example 644 of WO20110...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	<0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Human)	BDBM50434787 (CHEMBL2386635 | US10703751, Example 644 of WO20110...) Show SMILES Show InChI	GoogleScholar	UniChem		0.100	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
Tyrosine-protein kinase JAK3 (Human)	BDBM50434787 (CHEMBL2386635 | US10703751, Example 644 of WO20110...) Show SMILES Show InChI	GoogleScholar	UniChem		5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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