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SMILES: CCC1COCc2nc3c(F)cc(cc3n12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1F

InChI Key: InChIKey=SKASIVWDIMHKPE-FMRBYIFOSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 462100   

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 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM462100 (US10766884, Example A17 | US11220494, Example A17) Show SMILES CCC1COCc2nc3c(F)cc(cc3n12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1F |r| Show InChI InChI=1S/C22H26F2N6O4S/c1-3-13-10-34-11-19-27-21-14(23)6-12(7-17(21)30(13)19)20-15(24)8-25-22(28-20)26-16-4-5-29(9-18(16)31)35(2,32)33/h6-8,13,16,18,31H,3-5,9-11H2,1-2H3,(H,25,26,28)/t13?,16-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020) BindingDB Entry DOI: 10.7270/Q23F4SQG
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM462100 (US10766884, Example A17 | US11220494, Example A17) Show SMILES CCC1COCc2nc3c(F)cc(cc3n12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1F |r| Show InChI InChI=1S/C22H26F2N6O4S/c1-3-13-10-34-11-19-27-21-14(23)6-12(7-17(21)30(13)19)20-15(24)8-25-22(28-20)26-16-4-5-29(9-18(16)31)35(2,32)33/h6-8,13,16,18,31H,3-5,9-11H2,1-2H3,(H,25,26,28)/t13?,16-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XG9V9M
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM462100 (US10766884, Example A17 | US11220494, Example A17) Show SMILES CCC1COCc2nc3c(F)cc(cc3n12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1F |r| Show InChI InChI=1S/C22H26F2N6O4S/c1-3-13-10-34-11-19-27-21-14(23)6-12(7-17(21)30(13)19)20-15(24)8-25-22(28-20)26-16-4-5-29(9-18(16)31)35(2,32)33/h6-8,13,16,18,31H,3-5,9-11H2,1-2H3,(H,25,26,28)/t13?,16-,18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The purpose of the CDK6/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XG9V9M
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM462100 (US10766884, Example A17 | US11220494, Example A17) Show SMILES CCC1COCc2nc3c(F)cc(cc3n12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1F |r| Show InChI InChI=1S/C22H26F2N6O4S/c1-3-13-10-34-11-19-27-21-14(23)6-12(7-17(21)30(13)19)20-15(24)8-25-22(28-20)26-16-4-5-29(9-18(16)31)35(2,32)33/h6-8,13,16,18,31H,3-5,9-11H2,1-2H3,(H,25,26,28)/t13?,16-,18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK6/Cyclin D3: The purpose of the CDK6/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small mo...				US Patent US10766884 (2020) BindingDB Entry DOI: 10.7270/Q23F4SQG
					More data for this Ligand-Target Pair