zemirciclib [Ligand Id: 11782] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL4462530 (Azd 4573, Azd-4573, Azd4573, AZD-4573, AZD4573) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| casein kinase 1 gamma 1/Casein kinase I gamma 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2426] [GtoPdb: 1999] [UniProtKB: Q9HCP0] | ||||||||
| ChEMBL | Inhibition of CK1gamma1 (unknown origin) in presence of 5 mM ATP | B | 5.26 | pIC50 | 5520 | nM | IC50 | J Med Chem (2020) 63: 15564-15590 [PMID:33306391] |
| casein kinase 1 gamma 2/Casein kinase I gamma 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2543] [GtoPdb: 2000] [UniProtKB: P78368] | ||||||||
| ChEMBL | Inhibition of CK1gamma2 (unknown origin) in presence of 5 mM ATP | B | 5.18 | pIC50 | 6660 | nM | IC50 | J Med Chem (2020) 63: 15564-15590 [PMID:33306391] |
| cyclin dependent kinase 12/CDK12/Cyclin K in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL4106169] [GtoPdb: 1965] [UniProtKB: O75909, Q9NYV4] | ||||||||
| ChEMBL | Inhibition of human recombinant N-terminal GST-TEV tagged CDK12 (696 to 1082 residues)/full length human CyclinK expressed in baculovirus expression system using FITC-X-GSRTPMY-NH2 as substrate preincubated for 10 mins followed by MgCl2 addition and measured after 240 mins in presence of 5 mM ATP by mobility shift assay | B | 5.09 | pIC50 | 8070 | nM | IC50 | J Med Chem (2020) 63: 15564-15590 [PMID:33306391] |
| cyclin dependent kinase 7/CDK7/Cyclin H/MNAT1 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL3038473] [GtoPdb: 1979] [UniProtKB: P50613, P51946, P51948] | ||||||||
| ChEMBL | Inhibition of recombinant full length human CDK7/cyclinH1/MAT1 expressed in insect cells using 5FAM-YSPTSPSYSPTSPSYSPTSPSKKKK-NH2 as substrate preincubated for 10 mins followed by MgCl2 addition and measured after 120 mins in presence of 5 mM ATP by mobility shift assay | B | 5.86 | pIC50 | 1370 | nM | IC50 | J Med Chem (2020) 63: 15564-15590 [PMID:33306391] |
| cyclin dependent kinase 9/CDK9/cyclin T1 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2111389] [GtoPdb: 1981] [UniProtKB: O60563, P50750] | ||||||||
| ChEMBL | Binding affinity to human CDK9/CyclinT assessed as equilibrium dissociation constant by surface plasmon resonance analysis | B | 10.05 | pKd | 0.09 | nM | Kd | J Med Chem (2020) 63: 15564-15590 [PMID:33306391] |
| ChEMBL | Inhibition of recombinant full length human N-terminal GST-fused CDK9 (1 to 372 residues)/His-tagged CyclinT1 (1 to 726 residues) expressed in baculovirus infected insect cells using FITC-X-GSRTPMY-NH2 as substrate preincubated for 10 mins followed by MgCl2 addition and measured after 90 mins in presence of 5 mM ATP by mobility shift assay | B | 8.4 | pIC50 | <4 | nM | IC50 | J Med Chem (2020) 63: 15564-15590 [PMID:33306391] |
| ChEMBL | Inhibition of full length human CDK9 (1 to 372 residues)/His-tagged CyclinT1 (1 to 726 residues) expressed in baculovirus expression system in presence of high ATP | B | 8.4 | pIC50 | <4 | nM | IC50 | J Med Chem (2020) 63: 13228-13257 [PMID:32866383] |
| GtoPdb | Inhibition of CDK9 activity in a biochemical enzyme assay | - | 8.4 | pIC50 | <4 | nM | IC50 | J Med Chem (2020) 63: 15564-15590 [PMID:33306391] |
| ChEMBL | Inhibition of full length human CDK9 (1 to 372 residues)/His-tagged CyclinT1 (1 to 726 residues) expressed in baculovirus expression system in presence of Km ATP | B | 8.52 | pIC50 | <3 | nM | IC50 | J Med Chem (2020) 63: 13228-13257 [PMID:32866383] |
| mitogen-activated protein kinase 8/c-Jun N-terminal kinase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2276] [GtoPdb: 1496] [UniProtKB: P45983] | ||||||||
| ChEMBL | Inhibition of JNK1 (unknown origin) in presence of 5 mM ATP | B | 5.55 | pIC50 | 2800 | nM | IC50 | J Med Chem (2020) 63: 15564-15590 [PMID:33306391] |
| cyclin dependent kinase 1/Cyclin-dependent kinase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL308] [GtoPdb: 1961] [UniProtKB: P06493] | ||||||||
| ChEMBL | Inhibition of CDK1 in human MCF7 cells assessed as reduction in PP1alpha phosphorylation at T320 residue incubated for 6 hrs by immunoblot analysis | B | 6.43 | pIC50 | 370 | nM | IC50 | J Med Chem (2020) 63: 13228-13257 [PMID:32866383] |
| cyclin dependent kinase 1/Cyclin-dependent kinase 1/cyclin B1 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907602] [GtoPdb: 1961] [UniProtKB: P06493, P14635] | ||||||||
| ChEMBL | Inhibition of recombinant full length human His-tagged CDK1/CyclinB expressed in baculovirus infected insect cells using 5FAM-RRRFRPASPLRGPPKCOOH as substrate preincubated for 10 mins followed by MgCl2 addition and measured after 90 mins in presence of 5 mM ATP by mobility shift assay | B | 6.93 | pIC50 | 117 | nM | IC50 | J Med Chem (2020) 63: 15564-15590 [PMID:33306391] |
| cyclin dependent kinase 2/Cyclin-dependent kinase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL301] [GtoPdb: 1973] [UniProtKB: P24941] | ||||||||
| ChEMBL | Inhibition of CDK2 in human MCF7 cells assessed as reduction in Rb phosphorylation at T821 residue incubated for 6 hrs by immunoblot analysis | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2020) 63: 13228-13257 [PMID:32866383] |
| cyclin dependent kinase 2/Cyclin-dependent kinase 2/cyclin E1 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907605] [GtoPdb: 1973] [UniProtKB: P24864, P24941] | ||||||||
| ChEMBL | Inhibition of recombinant full length human CDK2/CyclinE expressed in insect cells using FL-Ahx-QSPKKG-CONH2 as substrate preincubated for 10 mins followed by MgCl2 addition and measured after 90 mins in presence of 5 mM ATP by mobility shift assay | B | 7.28 | pIC50 | 52 | nM | IC50 | J Med Chem (2020) 63: 15564-15590 [PMID:33306391] |
| cyclin dependent kinase 3/Cyclin-dependent kinase 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4442] [GtoPdb: 1975] [UniProtKB: Q00526] | ||||||||
| ChEMBL | Inhibition of CDK3 (unknown origin) in presence of 5 mM ATP | B | 7.64 | pIC50 | 23 | nM | IC50 | J Med Chem (2020) 63: 15564-15590 [PMID:33306391] |
| cyclin dependent kinase 4/Cyclin-dependent kinase 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL331] [GtoPdb: 1976] [UniProtKB: P11802] | ||||||||
| ChEMBL | Inhibition of CDK4 (unknown origin) in presence of 5 mM ATP | B | 6.3 | pIC50 | 499 | nM | IC50 | J Med Chem (2020) 63: 15564-15590 [PMID:33306391] |
| cyclin dependent kinase 5/Cyclin-dependent kinase 5 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4036] [GtoPdb: 1977] [UniProtKB: Q00535] | ||||||||
| ChEMBL | Inhibition of CDK5 (unknown origin) in presence of 5 mM ATP | B | 5.9 | pIC50 | 1270 | nM | IC50 | J Med Chem (2020) 63: 15564-15590 [PMID:33306391] |
| cyclin dependent kinase 6/Cyclin-dependent kinase 6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2508] [GtoPdb: 1978] [UniProtKB: Q00534] | ||||||||
| ChEMBL | Inhibition of CDK6 (unknown origin) in presence of 5 mM ATP | B | 6.44 | pIC50 | 363 | nM | IC50 | J Med Chem (2020) 63: 15564-15590 [PMID:33306391] |
| cyclin dependent kinase 7/Cyclin-dependent kinase 7 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3055] [GtoPdb: 1979] [UniProtKB: P50613] | ||||||||
| ChEMBL | Inhibition of CDK7 in human MCF7 cells assessed as RNA polymerase2 phosphorylation at serine 5 residue residue incubated for 6 hrs by immunoblot analysis | B | 5.96 | pIC50 | 1100 | nM | IC50 | J Med Chem (2020) 63: 13228-13257 [PMID:32866383] |
| cyclin dependent kinase 9/Cyclin-dependent kinase 9 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3116] [GtoPdb: 1981] [UniProtKB: P50750] | ||||||||
| ChEMBL | Reversible inhibition of CDK9 in human MCF7 cells assessed as reduction in RNA Polymerase 2 CTD phosphorylation at Ser2 residues preincubated for 6 hrs followed by compound washout and measured after 2 hrs by immunofluorescence assay | B | 5.52 | pIC50 | >3000 | nM | IC50 | J Med Chem (2020) 63: 15564-15590 [PMID:33306391] |
| ChEMBL | Inhibition of CDK9 in human MCF7 cells assessed as reduction in RNA Polymerase 2 CTD phosphorylation at Ser2 residues measured after 6 hrs by immunofluorescence assay | B | 7.87 | pIC50 | 13.4 | nM | IC50 | J Med Chem (2020) 63: 15564-15590 [PMID:33306391] |
| ChEMBL | Inhibition of CDK9 (unknown origin) | B | 8.4 | pIC50 | <4 | nM | IC50 | Bioorg Med Chem Lett (2019) 29: 126637-126637 [PMID:31477350] |
| GtoPdb | Inhibition of CDK9 activity in a biochemical enzyme assay | - | 8.4 | pIC50 | <4 | nM | IC50 | J Med Chem (2020) 63: 15564-15590 [PMID:33306391] |
| ChEMBL | Inhibition of CDK9 in human MV4-11 cells assessed as induction of caspase-3/7 activation measured after 6 hrs followed by Caspase-glo reagent based assay | B | 7.86 | pEC50 | 13.7 | nM | EC50 | J Med Chem (2020) 63: 15564-15590 [PMID:33306391] |
| dual specificity tyrosine phosphorylation regulated kinase 2/Dual-specificity tyrosine-phosphorylation regulated kinase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4376] [GtoPdb: 2011] [UniProtKB: Q92630] | ||||||||
| ChEMBL | Inhibition of DYRK2 (unknown origin) in presence of 5 mM ATP | B | 5.06 | pIC50 | 8620 | nM | IC50 | J Med Chem (2020) 63: 15564-15590 [PMID:33306391] |
| glycogen synthase kinase 3 alpha/Glycogen synthase kinase-3 alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2850] [GtoPdb: 2029] [UniProtKB: P49840] | ||||||||
| ChEMBL | Inhibition of GSK3alpha (unknown origin) in presence of 5 mM ATP | B | 6.73 | pIC50 | 187 | nM | IC50 | J Med Chem (2020) 63: 15564-15590 [PMID:33306391] |
| glycogen synthase kinase 3 beta/Glycogen synthase kinase-3 beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL262] [GtoPdb: 2030] [UniProtKB: P49841] | ||||||||
| ChEMBL | Inhibition of GSK3beta (unknown origin) in presence of 5 mM ATP | B | 6.61 | pIC50 | 247 | nM | IC50 | J Med Chem (2020) 63: 15564-15590 [PMID:33306391] |
ChEMBL data shown on this page come from version 33:
Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]
