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SMILES: CC(C)n1cnc2c(F)cc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)C(=O)C2(F)CNC2)ncc1Cl

InChI Key: InChIKey=OCCSFFDCCOSIJB-SJLPKXTDSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 462209   

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))	BDBM462209 (US10766884, Example F27 | US11220494, Example F27) Show SMILES CC(C)n1cnc2c(F)cc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)C(=O)C2(F)CNC2)ncc1Cl |r| Show InChI InChI=1S/C23H26ClF2N7O2/c1-12(2)33-11-29-20-15(25)5-13(6-17(20)33)19-14(24)7-28-22(31-19)30-16-3-4-32(8-18(16)34)21(35)23(26)9-27-10-23/h5-7,11-12,16,18,27,34H,3-4,8-10H2,1-2H3,(H,28,30,31)/t16-,18-/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))	BDBM462209 (US10766884, Example F27 | US11220494, Example F27) Show SMILES CC(C)n1cnc2c(F)cc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)C(=O)C2(F)CNC2)ncc1Cl |r| Show InChI InChI=1S/C23H26ClF2N7O2/c1-12(2)33-11-29-20-15(25)5-13(6-17(20)33)19-14(24)7-28-22(31-19)30-16-3-4-32(8-18(16)34)21(35)23(26)9-27-10-23/h5-7,11-12,16,18,27,34H,3-4,8-10H2,1-2H3,(H,28,30,31)/t16-,18-/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
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))	BDBM462209 (US10766884, Example F27 | US11220494, Example F27) Show SMILES CC(C)n1cnc2c(F)cc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)C(=O)C2(F)CNC2)ncc1Cl |r| Show InChI InChI=1S/C23H26ClF2N7O2/c1-12(2)33-11-29-20-15(25)5-13(6-17(20)33)19-14(24)7-28-22(31-19)30-16-3-4-32(8-18(16)34)21(35)23(26)9-27-10-23/h5-7,11-12,16,18,27,34H,3-4,8-10H2,1-2H3,(H,28,30,31)/t16-,18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.10	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))	BDBM462209 (US10766884, Example F27 | US11220494, Example F27) Show SMILES CC(C)n1cnc2c(F)cc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)C(=O)C2(F)CNC2)ncc1Cl |r| Show InChI InChI=1S/C23H26ClF2N7O2/c1-12(2)33-11-29-20-15(25)5-13(6-17(20)33)19-14(24)7-28-22(31-19)30-16-3-4-32(8-18(16)34)21(35)23(26)9-27-10-23/h5-7,11-12,16,18,27,34H,3-4,8-10H2,1-2H3,(H,28,30,31)/t16-,18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.10	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