US11014911, Example 120

SMILES: CC1(CCOC1)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(F)cc(F)c2)n[nH]1

InChI Key:

Data: 2 KI

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 4 hits for monomerid = 498295   

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 (Homo sapiens (Human))	BDBM498295 (US11014911, Example 120 | US11014911, Example 121) Show SMILES CC1(CCOC1)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(F)cc(F)c2)n[nH]1 |r| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0800	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)
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM498295 (US11014911, Example 120 | US11014911, Example 121) Show SMILES CC1(CCOC1)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(F)cc(F)c2)n[nH]1 |r| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0900	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)
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM498295 (US11014911, Example 120 | US11014911, Example 121) Show SMILES CC1(CCOC1)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(F)cc(F)c2)n[nH]1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	19.4	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)
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM498295 (US11014911, Example 120 | US11014911, Example 121) Show SMILES CC1(CCOC1)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(F)cc(F)c2)n[nH]1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	34.9	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)
					More data for this Ligand-Target Pair