BDBM5544 4-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}benzene-1-sulfonamide::6-Cyclohexylmethoxy-2-(4 -sulfamoylanilino)purine::NU6102

SMILES: NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1

InChI Key: InChIKey=OWXORKPNCHJYOF-UHFFFAOYSA-N

Data: 2 KI  14 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 16 hits for monomerid = 5544   

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
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Spiny starfish)	BDBM5544 (4-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}benz...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
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Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 (Human)	BDBM5544 (4-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}benz...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
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Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Spiny starfish)	BDBM5544 (4-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}benz...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.5	n/a	n/a	n/a	n/a	7.5	30
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Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 (Human)	BDBM5544 (4-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}benz...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.40	n/a	n/a	n/a	n/a	7.5	30
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Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 (Human)	BDBM5544 (4-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}benz...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.10	n/a	n/a	n/a	n/a	7.5	30
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Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 [K89T] (Human)	BDBM5544 (4-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}benz...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.90	n/a	n/a	n/a	n/a	7.5	30
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Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 [L83V,H84D] (Human)	BDBM5544 (4-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}benz...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	21	n/a	n/a	n/a	n/a	7.5	30
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Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 [F82H] (Human)	BDBM5544 (4-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}benz...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	33	n/a	n/a	n/a	n/a	7.5	30
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Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 [F82H,L83V,H84D] (Human)	BDBM5544 (4-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}benz...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	103	n/a	n/a	n/a	n/a	7.5	30
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Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 [F82H,L83V,H84D,K98T] (Human)	BDBM5544 (4-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}benz...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	120	n/a	n/a	n/a	n/a	7.5	30
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Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Human)	BDBM5544 (4-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}benz...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	7.5	30
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Rho-associated protein kinase 2 (Human)	BDBM5544 (4-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}benz...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
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[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial (Human)	BDBM5544 (4-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}benz...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
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Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Human)	BDBM5544 (4-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}benz...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase ZAP-70 (Human)	BDBM5544 (4-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}benz...) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Protein-tyrosine kinase 2-beta (Human)	BDBM5544 (4-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}benz...) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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