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SMILES: CC1(C)OCCn2nc3c(F)cc(cc3c12)-c1nc(N[C@@H]2CCOC[C@H]2O)ncc1F

InChI Key: InChIKey=ZSTCZFASHGPJKC-HZPDHXFCSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 462164   

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))	BDBM462164 (US10766884, Example A80 | US10766884, Example A82 ...) Show SMILES CC1(C)OCCn2nc3c(F)cc(cc3c12)-c1nc(N[C@@H]2CCOC[C@H]2O)ncc1F |r| Show InChI InChI=1S/C21H23F2N5O3/c1-21(2)19-12-7-11(8-13(22)18(12)27-28(19)4-6-31-21)17-14(23)9-24-20(26-17)25-15-3-5-30-10-16(15)29/h7-9,15-16,29H,3-6,10H2,1-2H3,(H,24,25,26)/t15-,16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.5	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))	BDBM462164 (US10766884, Example A80 | US10766884, Example A82 ...) Show SMILES CC1(C)OCCn2nc3c(F)cc(cc3c12)-c1nc(N[C@@H]2CCOC[C@H]2O)ncc1F |r| Show InChI InChI=1S/C21H23F2N5O3/c1-21(2)19-12-7-11(8-13(22)18(12)27-28(19)4-6-31-21)17-14(23)9-24-20(26-17)25-15-3-5-30-10-16(15)29/h7-9,15-16,29H,3-6,10H2,1-2H3,(H,24,25,26)/t15-,16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.5	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/Q2XG9V9M
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM462164 (US10766884, Example A80 | US10766884, Example A82 ...) Show SMILES CC1(C)OCCn2nc3c(F)cc(cc3c12)-c1nc(N[C@@H]2CCOC[C@H]2O)ncc1F |r| Show InChI InChI=1S/C21H23F2N5O3/c1-21(2)19-12-7-11(8-13(22)18(12)27-28(19)4-6-31-21)17-14(23)9-24-20(26-17)25-15-3-5-30-10-16(15)29/h7-9,15-16,29H,3-6,10H2,1-2H3,(H,24,25,26)/t15-,16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.80	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 6/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM462164 (US10766884, Example A80 | US10766884, Example A82 ...) Show SMILES CC1(C)OCCn2nc3c(F)cc(cc3c12)-c1nc(N[C@@H]2CCOC[C@H]2O)ncc1F |r| Show InChI InChI=1S/C21H23F2N5O3/c1-21(2)19-12-7-11(8-13(22)18(12)27-28(19)4-6-31-21)17-14(23)9-24-20(26-17)25-15-3-5-30-10-16(15)29/h7-9,15-16,29H,3-6,10H2,1-2H3,(H,24,25,26)/t15-,16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		14.7	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/Q2XG9V9M
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM462164 (US10766884, Example A80 | US10766884, Example A82 ...) Show SMILES CC1(C)OCCn2nc3c(F)cc(cc3c12)-c1nc(N[C@@H]2CCOC[C@H]2O)ncc1F |r| Show InChI InChI=1S/C21H23F2N5O3/c1-21(2)19-12-7-11(8-13(22)18(12)27-28(19)4-6-31-21)17-14(23)9-24-20(26-17)25-15-3-5-30-10-16(15)29/h7-9,15-16,29H,3-6,10H2,1-2H3,(H,24,25,26)/t15-,16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	14.7	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
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM462164 (US10766884, Example A80 | US10766884, Example A82 ...) Show SMILES CC1(C)OCCn2nc3c(F)cc(cc3c12)-c1nc(N[C@@H]2CCOC[C@H]2O)ncc1F |r| Show InChI InChI=1S/C21H23F2N5O3/c1-21(2)19-12-7-11(8-13(22)18(12)27-28(19)4-6-31-21)17-14(23)9-24-20(26-17)25-15-3-5-30-10-16(15)29/h7-9,15-16,29H,3-6,10H2,1-2H3,(H,24,25,26)/t15-,16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	24.6	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