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SMILES: COc1cc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC(C)CC(F)(F)F)ccn1

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 498252   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM498252 (US11014911, Example 77 | US11014911, Example 78 | ...) Show SMILES COc1cc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC(C)CC(F)(F)F)ccn1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q22F7SJ2
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM498252 (US11014911, Example 77 | US11014911, Example 78 | ...) Show SMILES COc1cc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC(C)CC(F)(F)F)ccn1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description The purpose of CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a fluores...				US Patent US11014911 (2021) BindingDB Entry DOI: 10.7270/Q23N26H2
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM498252 (US11014911, Example 77 | US11014911, Example 78 | ...) Show SMILES COc1cc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC(C)CC(F)(F)F)ccn1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q22F7SJ2
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM498252 (US11014911, Example 77 | US11014911, Example 78 | ...) Show SMILES COc1cc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC(C)CC(F)(F)F)ccn1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description The purpose of CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a fluores...				US Patent US11014911 (2021) BindingDB Entry DOI: 10.7270/Q23N26H2
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM498252 (US11014911, Example 77 | US11014911, Example 78 | ...) Show SMILES COc1cc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC(C)CC(F)(F)F)ccn1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q22F7SJ2
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM498252 (US11014911, Example 77 | US11014911, Example 78 | ...) Show SMILES COc1cc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC(C)CC(F)(F)F)ccn1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description The purpose of GSK3β assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a fluorescenc...				US Patent US11014911 (2021) BindingDB Entry DOI: 10.7270/Q23N26H2
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM498252 (US11014911, Example 77 | US11014911, Example 78 | ...) Show SMILES COc1cc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC(C)CC(F)(F)F)ccn1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	19.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description The purpose of GSK3β assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a fluorescenc...				US Patent US11014911 (2021) BindingDB Entry DOI: 10.7270/Q23N26H2
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM498252 (US11014911, Example 77 | US11014911, Example 78 | ...) Show SMILES COc1cc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC(C)CC(F)(F)F)ccn1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		19.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q22F7SJ2
					More data for this Ligand-Target Pair