Compile Data Set for Download or QSAR

Found 1037 hits of ic50 for UniProtKB: Q00534   

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 6 (Homo sapiens (Human))	BDBM525710 (US11174252, Compound 4) Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4OCCN(C(C)C)c4c3)nc2)CC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK4 and CDK6: IC50 values of compounds against CDK4 and CDK6 were determined by luminescence using retinoblastoma as substrate. Kinase assays were p...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM525562 (US11174252, Compound 1) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK4 and CDK6: IC50 values of compounds against CDK4 and CDK6 were determined by luminescence using retinoblastoma as substrate. Kinase assays were p...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM525763 (US11174252, Compound 450) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)C2CCN(CC2)C(=O)CN(C)C)ncc1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK4 and CDK6: IC50 values of compounds against CDK4 and CDK6 were determined by luminescence using retinoblastoma as substrate. Kinase assays were p...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM132275 (US8841312, 17) Show SMILES C1CN(CCN1)c1ccc(Nc2ncc3c(n2)n(-c2ccccc2)c2cnccc32)cc1 Show InChI InChI=1S/C25H23N7/c1-2-4-20(5-3-1)32-23-17-27-11-10-21(23)22-16-28-25(30-24(22)32)29-18-6-8-19(9-7-18)31-14-12-26-13-15-31/h1-11,16-17,26H,12-15H2,(H,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.360	n/a	n/a	n/a	n/a	7.4	37
Amgen Inc. US Patent					Assay Description The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...				US Patent US8841312 (2014) BindingDB Entry DOI: 10.7270/Q2H41Q4H
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM132279 (US8841312, 21) Show SMILES C1CCC(CC1)n1c2ccccc2c2cnc(Nc3ccc(cc3)N3CCNCC3)nc12 Show InChI InChI=1S/C26H30N6/c1-2-6-21(7-3-1)32-24-9-5-4-8-22(24)23-18-28-26(30-25(23)32)29-19-10-12-20(13-11-19)31-16-14-27-15-17-31/h4-5,8-13,18,21,27H,1-3,6-7,14-17H2,(H,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.410	n/a	n/a	n/a	n/a	7.4	37
Amgen Inc. US Patent					Assay Description The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...				US Patent US8841312 (2014) BindingDB Entry DOI: 10.7270/Q2H41Q4H
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM525754 (US11174252, Compound 441) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCN(CC2)C(=O)CN(C)C)ncc1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK4 and CDK6: IC50 values of compounds against CDK4 and CDK6 were determined by luminescence using retinoblastoma as substrate. Kinase assays were p...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM132303 (US8841312, 46) Show SMILES C1CN(CCN1)c1ccc(Nc2ncc3c(n2)n(C2CCOCC2)c2ccccc32)cc1 Show InChI InChI=1S/C25H28N6O/c1-2-4-23-21(3-1)22-17-27-25(29-24(22)31(23)20-9-15-32-16-10-20)28-18-5-7-19(8-6-18)30-13-11-26-12-14-30/h1-8,17,20,26H,9-16H2,(H,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.75	n/a	n/a	n/a	n/a	7.4	37
Amgen Inc. US Patent					Assay Description The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...				US Patent US8841312 (2014) BindingDB Entry DOI: 10.7270/Q2H41Q4H
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM444596 (US10662186, Compound 132 | US10988476, Compound I-...) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCNC(N)=N)CCc3n2)ncc1F Show InChI InChI=1S/C26H30F2N10/c1-14(2)38-15(3)33-24-18(27)10-17(11-21(24)38)23-19(28)12-32-26(36-23)35-22-5-4-16-13-37(8-6-20(16)34-22)9-7-31-25(29)30/h4-5,10-12,14H,6-9,13H2,1-3H3,(H4,29,30,31)(H,32,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.770	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10988476 (2021) BindingDB Entry DOI: 10.7270/Q2PR8047
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM444596 (US10662186, Compound 132 | US10988476, Compound I-...) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCNC(N)=N)CCc3n2)ncc1F Show InChI InChI=1S/C26H30F2N10/c1-14(2)38-15(3)33-24-18(27)10-17(11-21(24)38)23-19(28)12-32-26(36-23)35-22-5-4-16-13-37(8-6-20(16)34-22)9-7-31-25(29)30/h4-5,10-12,14H,6-9,13H2,1-3H3,(H4,29,30,31)(H,32,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.770	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10662186 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FKS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM448940 (N-(5-(4-Ethylpiperazin-1-yl)pyridin-2-yl)-5-fluoro...) Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1 Show InChI InChI=1S/C27H30F2N8/c1-4-35-9-11-36(12-10-35)18-5-6-22(30-15-18)32-26-31-16-20(29)24(34-26)17-13-19(28)25-21(14-17)37-23(33-25)7-8-27(37,2)3/h5-6,13-16H,4,7-12H2,1-3H3,(H,30,31,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.880	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Test compounds (compound of the present invention, reference compound Abemaciclib, and comparative example compounds) were respectively dissolved in ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SJ1PTP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM525762 (US11174252, Compound 449) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(N3CCN(CC3)C(=O)CN(C)C)c(F)c2)ncc1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK4 and CDK6: IC50 values of compounds against CDK4 and CDK6 were determined by luminescence using retinoblastoma as substrate. Kinase assays were p...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM50455050 (CHEMBL4208172 | US10696678, Example 18 | US1135117...) Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CC1 Show InChI InChI=1S/C28H32F2N8/c1-4-36-9-11-37(12-10-36)17-18-5-6-23(31-15-18)33-27-32-16-21(30)25(35-27)19-13-20(29)26-22(14-19)38-24(34-26)7-8-28(38,2)3/h5-6,13-16H,4,7-12,17H2,1-3H3,(H,31,32,33,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Beijing University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human full length CDK6 expressed in baculovirus infected Sf9 insect cells using histone H1 substrate after 90 mins by ADP-G...				Bioorg Med Chem Lett 28: 974-978 (2018) Article DOI: 10.1016/j.bmcl.2017.12.068 BindingDB Entry DOI: 10.7270/Q2BC4236
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM444581 (US10662186, Compound 103 | US10662186, Compound 10...) Show SMILES C[C@@H]1N(CCN(C)C)CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc12 |r| Show InChI InChI=1S/C29H36F2N8/c1-17-20-8-9-25(34-23(20)10-11-38(17)13-12-37(6)7)35-28-32-16-22(31)26(36-28)19-14-21(30)27-24(15-19)39(18(2)33-27)29(3,4)5/h8-9,14-17H,10-13H2,1-7H3,(H,32,34,35,36)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.970	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10662186 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FKS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM444581 (US10662186, Compound 103 | US10662186, Compound 10...) Show SMILES C[C@@H]1N(CCN(C)C)CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc12 |r| Show InChI InChI=1S/C29H36F2N8/c1-17-20-8-9-25(34-23(20)10-11-38(17)13-12-37(6)7)35-28-32-16-22(31)26(36-28)19-14-21(30)27-24(15-19)39(18(2)33-27)29(3,4)5/h8-9,14-17H,10-13H2,1-7H3,(H,32,34,35,36)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.970	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10988476 (2021) BindingDB Entry DOI: 10.7270/Q2PR8047
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM525755 (US11174252, Compound 442) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)C2CCN(C)CC2)ncc1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK4 and CDK6: IC50 values of compounds against CDK4 and CDK6 were determined by luminescence using retinoblastoma as substrate. Kinase assays were p...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM525724 (US11174252, Compound 19) Show SMILES CC(C)N1CCc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4OCCN(C(C)C)c4c3)cc2C1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK4 and CDK6: IC50 values of compounds against CDK4 and CDK6 were determined by luminescence using retinoblastoma as substrate. Kinase assays were p...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM525721 (US11174252, Compound 16) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc3CCNCc3c2)ncc1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK4 and CDK6: IC50 values of compounds against CDK4 and CDK6 were determined by luminescence using retinoblastoma as substrate. Kinase assays were p...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM556334 (3-(4-((6-(5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-di...) Show SMILES CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(OCC3CCN(CCCO)CC3)cn2)ncc1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.02	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Test compounds (compound of the present invention, reference compound Abemaciclib, and comparative example compounds) were respectively dissolved in ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SJ1PTP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM50001539 (CHEMBL3237704 | US8841312, 204) Show SMILES CC1(C)CCC(CC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12 Show InChI InChI=1S/C26H32N8/c1-26(2)8-5-18(6-9-26)34-22-17-28-10-7-20(22)21-16-30-25(32-24(21)34)31-23-4-3-19(15-29-23)33-13-11-27-12-14-33/h3-4,7,10,15-18,27H,5-6,8-9,11-14H2,1-2H3,(H,29,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.4	37
Amgen Inc. US Patent					Assay Description The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...				US Patent US8841312 (2014) BindingDB Entry DOI: 10.7270/Q2H41Q4H
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM132266 (US8841312, 8) Show SMILES C1CCC(C1)n1c2cnccc2c2cnc(Nc3cnc(nc3)N3CCNCC3)nc12 Show InChI InChI=1S/C22H25N9/c1-2-4-16(3-1)31-19-14-24-6-5-17(19)18-13-25-21(29-20(18)31)28-15-11-26-22(27-12-15)30-9-7-23-8-10-30/h5-6,11-14,16,23H,1-4,7-10H2,(H,25,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.4	37
Amgen Inc. US Patent					Assay Description The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...				US Patent US8841312 (2014) BindingDB Entry DOI: 10.7270/Q2H41Q4H
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM444620 (US10662186, Compound 202 | US10988476, Compound I-...) Show SMILES Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(CCN)CCc3n2)ncc1F Show InChI InChI=1S/C26H30F2N8/c1-15-31-24-18(27)11-17(12-21(24)36(15)26(2,3)4)23-19(28)13-30-25(34-23)33-22-6-5-16-14-35(10-8-29)9-7-20(16)32-22/h5-6,11-13H,7-10,14,29H2,1-4H3,(H,30,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.11	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10662186 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FKS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM444620 (US10662186, Compound 202 | US10988476, Compound I-...) Show SMILES Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(CCN)CCc3n2)ncc1F Show InChI InChI=1S/C26H30F2N8/c1-15-31-24-18(27)11-17(12-21(24)36(15)26(2,3)4)23-19(28)13-30-25(34-23)33-22-6-5-16-14-35(10-8-29)9-7-20(16)32-22/h5-6,11-13H,7-10,14,29H2,1-4H3,(H,30,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.11	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10988476 (2021) BindingDB Entry DOI: 10.7270/Q2PR8047
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM444593 (US10662186, Compound 129) Show SMILES Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(C[C@@H]4CNCCO4)CCc3n2)ncc1F |r| Show InChI InChI=1S/C29H34F2N8O/c1-17-34-27-21(30)11-19(12-24(27)39(17)29(2,3)4)26-22(31)14-33-28(37-26)36-25-6-5-18-15-38(9-7-23(18)35-25)16-20-13-32-8-10-40-20/h5-6,11-12,14,20,32H,7-10,13,15-16H2,1-4H3,(H,33,35,36,37)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.13	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10662186 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FKS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM494032 (US10988476, Compound I-129) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(C[C@@H]4CNCCO4)CCc3n2)ncc1F |r| Show InChI InChI=1S/C28H32F2N8O/c1-16(2)38-17(3)33-27-21(29)10-19(11-24(27)38)26-22(30)13-32-28(36-26)35-25-5-4-18-14-37(8-6-23(18)34-25)15-20-12-31-7-9-39-20/h4-5,10-11,13,16,20,31H,6-9,12,14-15H2,1-3H3,(H,32,34,35,36)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.13	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10988476 (2021) BindingDB Entry DOI: 10.7270/Q2PR8047
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM556327 ((S)-(3-(dimethylamino)pyrrolidin-1-yl)(6-(5-fluoro...) Show SMILES CN(C)[C@H]1CCN(C1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1 |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	n/a	n/a	1.19	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Test compounds (compound of the present invention, reference compound Abemaciclib, and comparative example compounds) were respectively dissolved in ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SJ1PTP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM132294 (US8841312, 37) Show SMILES C1CCC(C1)n1c2ccccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12 Show InChI InChI=1S/C24H27N7/c1-2-6-17(5-1)31-21-8-4-3-7-19(21)20-16-27-24(29-23(20)31)28-22-10-9-18(15-26-22)30-13-11-25-12-14-30/h3-4,7-10,15-17,25H,1-2,5-6,11-14H2,(H,26,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.4	37
Amgen Inc. US Patent					Assay Description The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...				US Patent US8841312 (2014) BindingDB Entry DOI: 10.7270/Q2H41Q4H
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM444621 (US10662186, Compound 203 | US10988476, Compound I-...) Show SMILES CNCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C3(C)CC3)ccc2C1 Show InChI InChI=1S/C27H30F2N8/c1-16-32-25-19(28)12-18(13-22(25)37(16)27(2)7-8-27)24-20(29)14-31-26(35-24)34-23-5-4-17-15-36(11-9-30-3)10-6-21(17)33-23/h4-5,12-14,30H,6-11,15H2,1-3H3,(H,31,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.28	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10662186 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FKS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM444621 (US10662186, Compound 203 | US10988476, Compound I-...) Show SMILES CNCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C3(C)CC3)ccc2C1 Show InChI InChI=1S/C27H30F2N8/c1-16-32-25-19(28)12-18(13-22(25)37(16)27(2)7-8-27)24-20(29)14-31-26(35-24)34-23-5-4-17-15-36(11-9-30-3)10-6-21(17)33-23/h4-5,12-14,30H,6-11,15H2,1-3H3,(H,31,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.28	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10988476 (2021) BindingDB Entry DOI: 10.7270/Q2PR8047
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM132265 (US8841312, 7) Show SMILES C1CCC(C1)n1c2cnccc2c2cnc(Nc3ccc(nc3)N3CCNCC3)nc12 Show InChI InChI=1S/C23H26N8/c1-2-4-17(3-1)31-20-15-25-8-7-18(20)19-14-27-23(29-22(19)31)28-16-5-6-21(26-13-16)30-11-9-24-10-12-30/h5-8,13-15,17,24H,1-4,9-12H2,(H,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	7.4	37
Amgen Inc. US Patent					Assay Description The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...				US Patent US8841312 (2014) BindingDB Entry DOI: 10.7270/Q2H41Q4H
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM444574 (US10662186, Compound 93 | US10988476, Compound I-9...) Show SMILES CN1CCO[C@@H](CN2CCc3nc(Nc4ncc(F)c(n4)-c4cc(F)c5nc(C)n(c5c4)C(C)(C)C)ccc3C2)C1 |r| Show InChI InChI=1S/C30H36F2N8O/c1-18-34-28-22(31)12-20(13-25(28)40(18)30(2,3)4)27-23(32)14-33-29(37-27)36-26-7-6-19-15-39(9-8-24(19)35-26)17-21-16-38(5)10-11-41-21/h6-7,12-14,21H,8-11,15-17H2,1-5H3,(H,33,35,36,37)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.33	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10988476 (2021) BindingDB Entry DOI: 10.7270/Q2PR8047
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM444574 (US10662186, Compound 93 | US10988476, Compound I-9...) Show SMILES CN1CCO[C@@H](CN2CCc3nc(Nc4ncc(F)c(n4)-c4cc(F)c5nc(C)n(c5c4)C(C)(C)C)ccc3C2)C1 |r| Show InChI InChI=1S/C30H36F2N8O/c1-18-34-28-22(31)12-20(13-25(28)40(18)30(2,3)4)27-23(32)14-33-29(37-27)36-26-7-6-19-15-39(9-8-24(19)35-26)17-21-16-38(5)10-11-41-21/h6-7,12-14,21H,8-11,15-17H2,1-5H3,(H,33,35,36,37)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.33	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10662186 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FKS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM444629 (US10662186, Compound 211 | US10988476, Compound I-...) Show SMILES Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(CCN4CCC(CC4)B(O)O)CCc3n2)ncc1F Show InChI InChI=1S/C31H39BF2N8O2/c1-19-36-29-23(33)15-21(16-26(29)42(19)31(2,3)4)28-24(34)17-35-30(39-28)38-27-6-5-20-18-41(12-9-25(20)37-27)14-13-40-10-7-22(8-11-40)32(43)44/h5-6,15-17,22,43-44H,7-14,18H2,1-4H3,(H,35,37,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.36	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10662186 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FKS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM444629 (US10662186, Compound 211 | US10988476, Compound I-...) Show SMILES Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(CCN4CCC(CC4)B(O)O)CCc3n2)ncc1F Show InChI InChI=1S/C31H39BF2N8O2/c1-19-36-29-23(33)15-21(16-26(29)42(19)31(2,3)4)28-24(34)17-35-30(39-28)38-27-6-5-20-18-41(12-9-25(20)37-27)14-13-40-10-7-22(8-11-40)32(43)44/h5-6,15-17,22,43-44H,7-14,18H2,1-4H3,(H,35,37,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.36	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10988476 (2021) BindingDB Entry DOI: 10.7270/Q2PR8047
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM444575 (US10662186, Compound 94 | US10988476, Compound I-9...) Show SMILES CN1CCO[C@H](CN2CCc3nc(Nc4ncc(F)c(n4)-c4cc(F)c5nc(C)n(c5c4)C(C)(C)C)ccc3C2)C1 |r| Show InChI InChI=1S/C30H36F2N8O/c1-18-34-28-22(31)12-20(13-25(28)40(18)30(2,3)4)27-23(32)14-33-29(37-27)36-26-7-6-19-15-39(9-8-24(19)35-26)17-21-16-38(5)10-11-41-21/h6-7,12-14,21H,8-11,15-17H2,1-5H3,(H,33,35,36,37)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.37	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10988476 (2021) BindingDB Entry DOI: 10.7270/Q2PR8047
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM444575 (US10662186, Compound 94 | US10988476, Compound I-9...) Show SMILES CN1CCO[C@H](CN2CCc3nc(Nc4ncc(F)c(n4)-c4cc(F)c5nc(C)n(c5c4)C(C)(C)C)ccc3C2)C1 |r| Show InChI InChI=1S/C30H36F2N8O/c1-18-34-28-22(31)12-20(13-25(28)40(18)30(2,3)4)27-23(32)14-33-29(37-27)36-26-7-6-19-15-39(9-8-24(19)35-26)17-21-16-38(5)10-11-41-21/h6-7,12-14,21H,8-11,15-17H2,1-5H3,(H,33,35,36,37)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.37	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10662186 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FKS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM444573 (US10662186, Compound 92 | US10988476, Compound I-9...) Show SMILES CN(C)CCC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1 Show InChI InChI=1S/C29H34F2N8O/c1-17-33-27-20(30)13-19(14-23(27)39(17)29(2,3)4)26-21(31)15-32-28(36-26)35-24-8-7-18-16-38(12-9-22(18)34-24)25(40)10-11-37(5)6/h7-8,13-15H,9-12,16H2,1-6H3,(H,32,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.39	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10662186 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FKS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM444573 (US10662186, Compound 92 | US10988476, Compound I-9...) Show SMILES CN(C)CCC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1 Show InChI InChI=1S/C29H34F2N8O/c1-17-33-27-20(30)13-19(14-23(27)39(17)29(2,3)4)26-21(31)15-32-28(36-26)35-24-8-7-18-16-38(12-9-22(18)34-24)25(40)10-11-37(5)6/h7-8,13-15H,9-12,16H2,1-6H3,(H,32,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.39	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10988476 (2021) BindingDB Entry DOI: 10.7270/Q2PR8047
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM444569 (US10662186, Compound 88 | US10988476, Compound I-8...) Show SMILES CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C3(C)CC3)ccc2C1 Show InChI InChI=1S/C28H32F2N8/c1-17-32-26-20(29)13-19(14-23(26)38(17)28(2)8-9-28)25-21(30)15-31-27(35-25)34-24-6-5-18-16-37(12-11-36(3)4)10-7-22(18)33-24/h5-6,13-15H,7-12,16H2,1-4H3,(H,31,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.41	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10662186 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FKS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM444595 (US10662186, Compound 131 | US10988476, Compound I-...) Show SMILES CN1CCC[C@H]1CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r| Show InChI InChI=1S/C29H32F2N8/c1-17-33-28-22(30)12-19(13-25(28)39(17)20-6-7-20)27-23(31)14-32-29(36-27)35-26-8-5-18-15-38(11-9-24(18)34-26)16-21-4-3-10-37(21)2/h5,8,12-14,20-21H,3-4,6-7,9-11,15-16H2,1-2H3,(H,32,34,35,36)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.41	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10988476 (2021) BindingDB Entry DOI: 10.7270/Q2PR8047
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM444569 (US10662186, Compound 88 | US10988476, Compound I-8...) Show SMILES CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C3(C)CC3)ccc2C1 Show InChI InChI=1S/C28H32F2N8/c1-17-32-26-20(29)13-19(14-23(26)38(17)28(2)8-9-28)25-21(30)15-31-27(35-25)34-24-6-5-18-16-37(12-11-36(3)4)10-7-22(18)33-24/h5-6,13-15H,7-12,16H2,1-4H3,(H,31,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.41	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10988476 (2021) BindingDB Entry DOI: 10.7270/Q2PR8047
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM444595 (US10662186, Compound 131 | US10988476, Compound I-...) Show SMILES CN1CCC[C@H]1CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r| Show InChI InChI=1S/C29H32F2N8/c1-17-33-28-22(30)12-19(13-25(28)39(17)20-6-7-20)27-23(31)14-32-29(36-27)35-26-8-5-18-15-38(11-9-24(18)34-26)16-21-4-3-10-37(21)2/h5,8,12-14,20-21H,3-4,6-7,9-11,15-16H2,1-2H3,(H,32,34,35,36)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.41	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10662186 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FKS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM444594 (US10662186, Compound 130) Show SMILES Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(C[C@H]4CNCCO4)CCc3n2)ncc1F |r| Show InChI InChI=1S/C29H34F2N8O/c1-17-34-27-21(30)11-19(12-24(27)39(17)29(2,3)4)26-22(31)14-33-28(37-26)36-25-6-5-18-15-38(9-7-23(18)35-25)16-20-13-32-8-10-40-20/h5-6,11-12,14,20,32H,7-10,13,15-16H2,1-4H3,(H,33,35,36,37)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.48	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10662186 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FKS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM494033 (US10988476, Compound I-130) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(C[C@H]4CNCCO4)CCc3n2)ncc1F |r| Show InChI InChI=1S/C28H32F2N8O/c1-16(2)38-17(3)33-27-21(29)10-19(11-24(27)38)26-22(30)13-32-28(36-26)35-25-5-4-18-14-37(8-6-23(18)34-25)15-20-12-31-7-9-39-20/h4-5,10-11,13,16,20,31H,6-9,12,14-15H2,1-3H3,(H,32,34,35,36)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.48	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10988476 (2021) BindingDB Entry DOI: 10.7270/Q2PR8047
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM444567 (US10662186, Compound 86 | US10988476, Compound I-8...) Show SMILES CC(C1CC1)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F Show InChI InChI=1S/C29H34F2N8/c1-17(19-5-6-19)39-18(2)33-28-22(30)13-21(14-25(28)39)27-23(31)15-32-29(36-27)35-26-8-7-20-16-38(12-11-37(3)4)10-9-24(20)34-26/h7-8,13-15,17,19H,5-6,9-12,16H2,1-4H3,(H,32,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.49	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10988476 (2021) BindingDB Entry DOI: 10.7270/Q2PR8047
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM444567 (US10662186, Compound 86 | US10988476, Compound I-8...) Show SMILES CC(C1CC1)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F Show InChI InChI=1S/C29H34F2N8/c1-17(19-5-6-19)39-18(2)33-28-22(30)13-21(14-25(28)39)27-23(31)15-32-29(36-27)35-26-8-7-20-16-38(12-11-37(3)4)10-9-24(20)34-26/h7-8,13-15,17,19H,5-6,9-12,16H2,1-4H3,(H,32,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.49	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10662186 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FKS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM525718 (US11174252, Compound 13) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc3CNCCc3c2)ncc1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK4 and CDK6: IC50 values of compounds against CDK4 and CDK6 were determined by luminescence using retinoblastoma as substrate. Kinase assays were p...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM132276 (US8841312, 18) Show SMILES O[C@@H]1CCN(C1)c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2cnccc32)nn1 |r| Show InChI InChI=1S/C22H24N8O/c31-15-8-10-29(13-15)20-6-5-19(27-28-20)25-22-24-11-17-16-7-9-23-12-18(16)30(21(17)26-22)14-3-1-2-4-14/h5-7,9,11-12,14-15,31H,1-4,8,10,13H2,(H,24,25,26,27)/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	7.4	37
Amgen Inc. US Patent					Assay Description The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...				US Patent US8841312 (2014) BindingDB Entry DOI: 10.7270/Q2H41Q4H
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM525738 (US11174252, Compound 33) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(nc2)C2CCN(C)CC2)ncc1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK4 and CDK6: IC50 values of compounds against CDK4 and CDK6 were determined by luminescence using retinoblastoma as substrate. Kinase assays were p...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM444613 (US10662186, Compound 176 | US10988476, Compound I-...) Show SMILES CNCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1 Show InChI InChI=1S/C27H32F2N8/c1-16-32-25-19(28)12-18(13-22(25)37(16)27(2,3)4)24-20(29)14-31-26(35-24)34-23-7-6-17-15-36(11-9-30-5)10-8-21(17)33-23/h6-7,12-14,30H,8-11,15H2,1-5H3,(H,31,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.51	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10988476 (2021) BindingDB Entry DOI: 10.7270/Q2PR8047
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM444613 (US10662186, Compound 176 | US10988476, Compound I-...) Show SMILES CNCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1 Show InChI InChI=1S/C27H32F2N8/c1-16-32-25-19(28)12-18(13-22(25)37(16)27(2,3)4)24-20(29)14-31-26(35-24)34-23-7-6-17-15-36(11-9-30-5)10-8-21(17)33-23/h6-7,12-14,30H,8-11,15H2,1-5H3,(H,31,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.51	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10662186 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FKS
					More data for this Ligand-Target Pair

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