Compile Data Set for Download or QSAR

Found 1770 hits of ic50 for UniProtKB: P11802   

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 (Homo sapiens (Human))	BDBM50528241 (CHEMBL334285) Show SMILES O=C(NN1CCOCC1)Nc1cccc2-c3[nH]nc(-c4ccc(s4)C(=O)N4CCNCC4)c3C(=O)c12 Show InChI InChI=1S/C24H25N7O4S/c32-22-18-14(2-1-3-15(18)26-24(34)29-31-10-12-35-13-11-31)20-19(22)21(28-27-20)16-4-5-17(36-16)23(33)30-8-6-25-7-9-30/h1-5,25H,6-13H2,(H,27,28)(H2,26,29,34)	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	0.00700	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of CDK4 (unknown origin)				Eur J Med Chem 178: 1-12 (2019) Article DOI: 10.1016/j.ejmech.2019.05.070 BindingDB Entry DOI: 10.7270/Q23N26VJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50528240 (CHEMBL151546) Show SMILES NC(=O)Nc1cccc2-c3[nH]nc(-c4csc(Cl)c4)c3C(=O)c12 Show InChI InChI=1S/C15H9ClN4O2S/c16-9-4-6(5-23-9)12-11-13(20-19-12)7-2-1-3-8(18-15(17)22)10(7)14(11)21/h1-5H,(H,19,20)(H3,17,18,22)	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	0.0260	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of CDK4 (unknown origin)				Eur J Med Chem 178: 1-12 (2019) Article DOI: 10.1016/j.ejmech.2019.05.070 BindingDB Entry DOI: 10.7270/Q23N26VJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (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	0.0700	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 dissolved in DMSO at 10 mM...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SJ1PTP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM448950 (N-(5-(1-Ethylpiperidine-4-yl)pyridin-2-yl)-5-fluor...) Show SMILES CCN1CCC(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1 Show InChI InChI=1S/C28H31F2N7/c1-4-36-11-8-17(9-12-36)18-5-6-23(31-15-18)33-27-32-16-21(30)25(35-27)19-13-20(29)26-22(14-19)37-24(34-26)7-10-28(37,2)3/h5-6,13-17H,4,7-12H2,1-3H3,(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	US Patent	n/a	n/a	0.0800	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 dissolved in DMSO at 10 mM...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SJ1PTP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50528239 (CHEMBL148580) Show SMILES COc1ccc(cc1)-c1[nH]nc2-c3cccc(NC(=O)CN4CCN(CC4)C(N)=N)c3C(=O)c12 Show InChI InChI=1S/C24H25N7O3/c1-34-15-7-5-14(6-8-15)21-20-22(29-28-21)16-3-2-4-17(19(16)23(20)33)27-18(32)13-30-9-11-31(12-10-30)24(25)26/h2-8H,9-13H2,1H3,(H3,25,26)(H,27,32)(H,28,29)	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	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of CDK4 (unknown origin)				Eur J Med Chem 178: 1-12 (2019) Article DOI: 10.1016/j.ejmech.2019.05.070 BindingDB Entry DOI: 10.7270/Q23N26VJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM556330 (N-(5-((1-ethylpiperidin-4-yl)methoxy)pyridin-2-yl)...) Show SMILES CCN1CCC(COc2ccc(Nc3cc(c(F)cn3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)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 Test compounds (compound of the present invention, reference compound Abemaciclib, and comparative example compounds) were dissolved in DMSO at 10 mM...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SJ1PTP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM556335 (5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-1H-b...) Show SMILES CN1CCC(COc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)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	0.110	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 dissolved in DMSO at 10 mM...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SJ1PTP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (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	0.110	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 dissolved in DMSO at 10 mM...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SJ1PTP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM448926 (1-(2-((5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihyd...) Show SMILES CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CO)ncc1F Show InChI InChI=1S/C26H25F2N7O2/c1-26(2)7-5-21-32-24-16(27)9-15(10-19(24)35(21)26)23-17(28)11-29-25(33-23)31-20-4-3-14-12-34(22(37)13-36)8-6-18(14)30-20/h3-4,9-11,36H,5-8,12-13H2,1-2H3,(H,29,30,31,33)	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	0.120	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 dissolved in DMSO at 10 mM...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SJ1PTP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (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	0.130	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 4 (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	US Patent	n/a	n/a	0.140	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 dissolved in DMSO at 10 mM...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SJ1PTP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM556329 (N-(5-((1-ethylpiperidin-4-yl)methoxy)pyridin-2-yl)...) Show SMILES CCN1CCC(COc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)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	0.160	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 dissolved in DMSO at 10 mM...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SJ1PTP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM448950 (N-(5-(1-Ethylpiperidine-4-yl)pyridin-2-yl)-5-fluor...) Show SMILES CCN1CCC(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1 Show InChI InChI=1S/C28H31F2N7/c1-4-36-11-8-17(9-12-36)18-5-6-23(31-15-18)33-27-32-16-21(30)25(35-27)19-13-20(29)26-22(14-19)37-24(34-26)7-10-28(37,2)3/h5-6,13-17H,4,7-12H2,1-3H3,(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	US Patent	n/a	n/a	0.170	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 dissolved in DMSO at 10 mM...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SJ1PTP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM556328 ((S)—N-(5-(3-(dimethylamino)pyrrolidin-1-yl)py...) Show SMILES CN(C)[C@H]1CCN(C1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1 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	0.180	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 dissolved in DMSO at 10 mM...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SJ1PTP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50528238 (CHEMBL4453997) Show SMILES COc1ccc(cc1)-c1n[nH]c2-c3cccc(C=O)c3C(=O)c12 Show InChI InChI=1S/C18H12N2O3/c1-23-12-7-5-10(6-8-12)16-15-17(20-19-16)13-4-2-3-11(9-21)14(13)18(15)22/h2-9H,1H3,(H,19,20)	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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of CDK4 (unknown origin)				Eur J Med Chem 178: 1-12 (2019) Article DOI: 10.1016/j.ejmech.2019.05.070 BindingDB Entry DOI: 10.7270/Q23N26VJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (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	0.200	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 dissolved in DMSO at 10 mM...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SJ1PTP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (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 4 (Homo sapiens (Human))	BDBM556337 (2-(4-(6-(5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dih...) Show SMILES CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(OC3CCN(CCO)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	0.25	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 dissolved in DMSO at 10 mM...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SJ1PTP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM556336 (5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-1H-b...) Show SMILES CN1CCC(CC1)OCc1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1 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	0.25	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 dissolved in DMSO at 10 mM...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SJ1PTP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50110183 (Abemaciclib | LY-2835219 | US10626107, Example LY2...) Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1 Show InChI InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	0.260	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 dissolved in DMSO at 10 mM...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SJ1PTP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50110183 (Abemaciclib | LY-2835219 | US10626107, Example LY2...) Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1 Show InChI InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	0.260	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 dissolved in DMSO at 10 mM...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SJ1PTP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM556331 (5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-1H-b...) Show SMILES CN1CCC(CC1)Oc1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1 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	0.260	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 dissolved in DMSO at 10 mM...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SJ1PTP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50293153 (CHEMBL526110 | N-(3-nitrophenyl)-4-(pyrazolo[1,5-b...) Show SMILES [O-][N+](=O)c1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1 Show InChI InChI=1S/C16H11N7O2/c24-23(25)12-4-1-3-11(9-12)20-16-17-8-6-14(21-16)13-10-19-22-15(13)5-2-7-18-22/h1-10H,(H,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CDK4 by radioactive glutathione plate-binding assay				Bioorg Med Chem Lett 18: 5758-62 (2009) Article DOI: 10.1016/j.bmcl.2008.09.069 BindingDB Entry DOI: 10.7270/Q2J67GZN
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (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	0.320	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 4 (Homo sapiens (Human))	BDBM132261 (US8841312, 3) Show SMILES C1CCC(C1)n1c2cnccc2c2cnc(Nc3ccc(cc3)N3CCNCC3)nc12 Show InChI InChI=1S/C24H27N7/c1-2-4-19(3-1)31-22-16-26-10-9-20(22)21-15-27-24(29-23(21)31)28-17-5-7-18(8-6-17)30-13-11-25-12-14-30/h5-10,15-16,19,25H,1-4,11-14H2,(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	0.450	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 4 (Homo sapiens (Human))	BDBM525786 (US11174252, Compound 474) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCN(CC2)C(C)=O)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	0.5	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 4 (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	0.5	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 4 (Homo sapiens (Human))	BDBM525771 (US11174252, Compound 458) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(C(=O)N3CCC(O)CC3)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	0.5	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 4 (Homo sapiens (Human))	BDBM50455061 (CHEMBL4211828 | US10696678, Example 65) Show SMILES CC(C)N1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)n5c4c3)nc2)CC1 Show InChI InChI=1S/C28H32F2N8/c1-17(2)37-10-8-36(9-11-37)16-19-5-6-24(31-14-19)33-28-32-15-22(30)26(35-28)20-12-21(29)27-23(13-20)38-18(3)4-7-25(38)34-27/h5-6,12-15,17-18H,4,7-11,16H2,1-3H3,(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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Beijing University of Technology Curated by ChEMBL					Assay Description Inhibition of CDK4 (unknown origin) after 90 mins by ADP-Glo assay				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 4 (Homo sapiens (Human))	BDBM448932 (5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-1H-b...) Show SMILES CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CN3CCNCC3)cn2)ncc1F Show InChI InChI=1S/C26H28F2N8/c1-26(2)6-5-22-33-24-18(27)11-17(12-20(24)36(22)26)23-19(28)14-31-25(34-23)32-21-4-3-16(13-30-21)15-35-9-7-29-8-10-35/h3-4,11-14,29H,5-10,15H2,1-2H3,(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	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Beijing University of Technology Curated by ChEMBL					Assay Description Inhibition of CDK4 (unknown origin) after 90 mins by ADP-Glo assay				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 4 (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	0.700	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 4 (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	0.700	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 4 (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	0.700	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 4 (Homo sapiens (Human))	BDBM556326 (1-(4-((6-(5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-di...) Show SMILES CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CN3CCN(CC3)C(=O)CO)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	0.730	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 dissolved in DMSO at 10 mM...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SJ1PTP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50455057 (CHEMBL4215702 | US10696678, Example 20) Show SMILES CN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CC1 Show InChI InChI=1S/C27H30F2N8/c1-27(2)7-6-23-33-25-19(28)12-18(13-21(25)37(23)27)24-20(29)15-31-26(34-24)32-22-5-4-17(14-30-22)16-36-10-8-35(3)9-11-36/h4-5,12-15H,6-11,16H2,1-3H3,(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	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Beijing University of Technology Curated by ChEMBL					Assay Description Inhibition of CDK4 (unknown origin) after 90 mins by ADP-Glo assay				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 4 (Homo sapiens (Human))	BDBM435712 (US10570141, Example 1) Show SMILES CS(=O)(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCC1 Show InChI InChI=1S/C21H27N7O2S/c1-31(29,30)19-12-15-13-24-21(26-20(15)28(19)16-4-2-3-5-16)25-18-7-6-17(14-23-18)27-10-8-22-9-11-27/h6-7,12-14,16,22H,2-5,8-11H2,1H3,(H,23,24,25,26)	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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; CENTAURUS BIOPHARMA CO., LTD.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD. US Patent					Assay Description LANCE method of PerkinElmer Inc. was used in the assay, and recombinant CDK4/CyclinD3 (Item No.: 04-105) and CDK6/CyclinD3 (Item No.: 04-107) kinases...				US Patent US10570141 (2020) BindingDB Entry DOI: 10.7270/Q2RV0R3H
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM132293 (US8841312, 36) Show SMILES C1CCC(C1)n1c2ncccc2c2cnc(Nc3ccc(cc3)N3CCNCC3)nc12 Show InChI InChI=1S/C24H27N7/c1-2-5-19(4-1)31-22-20(6-3-11-26-22)21-16-27-24(29-23(21)31)28-17-7-9-18(10-8-17)30-14-12-25-13-15-30/h3,6-11,16,19,25H,1-2,4-5,12-15H2,(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	0.830	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 4 (Homo sapiens (Human))	BDBM444563 (US10662186, Compound 82 | US10988476, Compound I-8...) Show SMILES CCC(CC)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CNCCc3n2)ncc1F Show InChI InChI=1S/C25H27F2N7/c1-4-17(5-2)34-14(3)30-24-18(26)10-16(11-21(24)34)23-19(27)13-29-25(33-23)32-22-7-6-15-12-28-9-8-20(15)31-22/h6-7,10-11,13,17,28H,4-5,8-9,12H2,1-3H3,(H,29,31,32,33)	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	0.860	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 4 (Homo sapiens (Human))	BDBM444563 (US10662186, Compound 82 | US10988476, Compound I-8...) Show SMILES CCC(CC)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CNCCc3n2)ncc1F Show InChI InChI=1S/C25H27F2N7/c1-4-17(5-2)34-14(3)30-24-18(26)10-16(11-21(24)34)23-19(27)13-29-25(33-23)32-22-7-6-15-12-28-9-8-20(15)31-22/h6-7,10-11,13,17,28H,4-5,8-9,12H2,1-3H3,(H,29,31,32,33)	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	0.860	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 4 (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	0.910	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 4 (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	0.910	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 4 (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	0.910	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 4 (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	0.910	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 4 (Homo sapiens (Human))	BDBM132263 (US8841312, 5) Show SMILES Cc1cc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)cnc1N1CCNCC1 Show InChI InChI=1S/C24H28N8/c1-16-12-17(13-27-22(16)31-10-8-25-9-11-31)29-24-28-14-20-19-6-7-26-15-21(19)32(23(20)30-24)18-4-2-3-5-18/h6-7,12-15,18,25H,2-5,8-11H2,1H3,(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	0.910	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 4 (Homo sapiens (Human))	BDBM444568 (US10662186, Compound 87 | US10988476, Compound I-8...) Show SMILES Cc1nc2c(F)cc(cc2n1C1(C)CC1)-c1nc(Nc2ccc3CNCCc3n2)ncc1F Show InChI InChI=1S/C24H23F2N7/c1-13-29-22-16(25)9-15(10-19(22)33(13)24(2)6-7-24)21-17(26)12-28-23(32-21)31-20-4-3-14-11-27-8-5-18(14)30-20/h3-4,9-10,12,27H,5-8,11H2,1-2H3,(H,28,30,31,32)	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	0.920	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 4 (Homo sapiens (Human))	BDBM444568 (US10662186, Compound 87 | US10988476, Compound I-8...) Show SMILES Cc1nc2c(F)cc(cc2n1C1(C)CC1)-c1nc(Nc2ccc3CNCCc3n2)ncc1F Show InChI InChI=1S/C24H23F2N7/c1-13-29-22-16(25)9-15(10-19(22)33(13)24(2)6-7-24)21-17(26)12-28-23(32-21)31-20-4-3-14-11-27-8-5-18(14)30-20/h3-4,9-10,12,27H,5-8,11H2,1-2H3,(H,28,30,31,32)	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	0.920	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 4 (Homo sapiens (Human))	BDBM444566 (US10662186, Compound 85 | US10988476, Compound I-8...) Show SMILES C[C@@H](CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1)N(C)C |r| Show InChI InChI=1S/C28H32F2N8/c1-16(36(3)4)14-37-10-9-23-18(15-37)5-8-25(33-23)34-28-31-13-22(30)26(35-28)19-11-21(29)27-24(12-19)38(17(2)32-27)20-6-7-20/h5,8,11-13,16,20H,6-7,9-10,14-15H2,1-4H3,(H,31,33,34,35)/t16-/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	0.940	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 4 (Homo sapiens (Human))	BDBM444566 (US10662186, Compound 85 | US10988476, Compound I-8...) Show SMILES C[C@@H](CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1)N(C)C |r| Show InChI InChI=1S/C28H32F2N8/c1-16(36(3)4)14-37-10-9-23-18(15-37)5-8-25(33-23)34-28-31-13-22(30)26(35-28)19-11-21(29)27-24(12-19)38(17(2)32-27)20-6-7-20/h5,8,11-13,16,20H,6-7,9-10,14-15H2,1-4H3,(H,31,33,34,35)/t16-/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	0.940	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 4 (Homo sapiens (Human))	BDBM132281 (US8841312, 24) Show SMILES C1CC2CC1CC2n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12 |THB:7:6:0.1:3| Show InChI InChI=1S/C25H28N8/c1-2-17-11-16(1)12-21(17)33-22-15-27-6-5-19(22)20-14-29-25(31-24(20)33)30-23-4-3-18(13-28-23)32-9-7-26-8-10-32/h3-6,13-17,21,26H,1-2,7-12H2,(H,28,29,30,31)	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	0.940	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 4 (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	0.960	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

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