Compile Data Set for Download or QSAR

Found 252 hits with Last Name = 'jakalian' and Initial = 'a'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50521935 (CHEMBL4589135) Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CC3(CN(C)C3)C2)ncc1F |r| Show InChI InChI=1S/C24H29FN8/c1-16-5-3-4-8-33-22(16)18(10-28-33)21-19(25)11-27-23(30-21)29-20-7-6-17(9-26-20)32-14-24(15-32)12-31(2)13-24/h6-7,9-11,16H,3-5,8,12-15H2,1-2H3,(H,26,27,29,30)/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human full length GST-tagged CDK4 (1 to 303(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression...				Bioorg Med Chem Lett 29: 2294-2301 (2019) Article DOI: 10.1016/j.bmcl.2019.06.021 BindingDB Entry DOI: 10.7270/Q2C250VT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50521937 (CHEMBL4564687) Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CC3(CN(CCF)C3)C2)ncc1F |r| Show InChI InChI=1S/C25H30F2N8/c1-17-4-2-3-8-35-23(17)19(11-30-35)22-20(27)12-29-24(32-22)31-21-6-5-18(10-28-21)34-15-25(16-34)13-33(14-25)9-7-26/h5-6,10-12,17H,2-4,7-9,13-16H2,1H3,(H,28,29,31,32)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human full length GST-tagged CDK4 (1 to 303(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression...				Bioorg Med Chem Lett 29: 2294-2301 (2019) Article DOI: 10.1016/j.bmcl.2019.06.021 BindingDB Entry DOI: 10.7270/Q2C250VT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50521933 (CHEMBL4440980) Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F |r| Show InChI InChI=1S/C23H29FN8/c1-16-5-3-4-8-32-22(16)18(14-27-32)21-19(24)15-26-23(29-21)28-20-7-6-17(13-25-20)31-11-9-30(2)10-12-31/h6-7,13-16H,3-5,8-12H2,1-2H3,(H,25,26,28,29)/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	<0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human full length GST-tagged CDK4 (1 to 303(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression...				Bioorg Med Chem Lett 29: 2294-2301 (2019) Article DOI: 10.1016/j.bmcl.2019.06.021 BindingDB Entry DOI: 10.7270/Q2C250VT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50521925 (CHEMBL4529532) Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CC3(CN(CCCF)C3)C2)ncc1F |r| Show InChI InChI=1S/C26H32F2N8/c1-18-5-2-3-10-36-24(18)20(12-31-36)23-21(28)13-30-25(33-23)32-22-7-6-19(11-29-22)35-16-26(17-35)14-34(15-26)9-4-8-27/h6-7,11-13,18H,2-5,8-10,14-17H2,1H3,(H,29,30,32,33)/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human full length GST-tagged CDK4 (1 to 303(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression...				Bioorg Med Chem Lett 29: 2294-2301 (2019) Article DOI: 10.1016/j.bmcl.2019.06.021 BindingDB Entry DOI: 10.7270/Q2C250VT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50521938 (CHEMBL4545456) Show SMILES CCN1CC2(C1)CN(C2)c1ccc(Nc2ncc(F)c(n2)-c2cnn3CCCC[C@@H](C)c23)nc1 |r| Show InChI InChI=1S/C25H31FN8/c1-3-32-13-25(14-32)15-33(16-25)18-7-8-21(27-10-18)30-24-28-12-20(26)22(31-24)19-11-29-34-9-5-4-6-17(2)23(19)34/h7-8,10-12,17H,3-6,9,13-16H2,1-2H3,(H,27,28,30,31)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	<0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human full length GST-tagged CDK4 (1 to 303(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression...				Bioorg Med Chem Lett 29: 2294-2301 (2019) Article DOI: 10.1016/j.bmcl.2019.06.021 BindingDB Entry DOI: 10.7270/Q2C250VT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50521936 (CHEMBL4560219) Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CC3(CN(C3)C3COC3)C2)ncc1F |r| Show InChI InChI=1S/C26H31FN8O/c1-17-4-2-3-7-35-24(17)20(9-30-35)23-21(27)10-29-25(32-23)31-22-6-5-18(8-28-22)33-13-26(14-33)15-34(16-26)19-11-36-12-19/h5-6,8-10,17,19H,2-4,7,11-16H2,1H3,(H,28,29,31,32)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human full length GST-tagged CDK4 (1 to 303(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression...				Bioorg Med Chem Lett 29: 2294-2301 (2019) Article DOI: 10.1016/j.bmcl.2019.06.021 BindingDB Entry DOI: 10.7270/Q2C250VT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50521934 (CHEMBL4546255) Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CCOCC2)ncc1F |r| Show InChI InChI=1S/C22H26FN7O/c1-15-4-2-3-7-30-21(15)17(13-26-30)20-18(23)14-25-22(28-20)27-19-6-5-16(12-24-19)29-8-10-31-11-9-29/h5-6,12-15H,2-4,7-11H2,1H3,(H,24,25,27,28)/t15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human full length GST-tagged CDK4 (1 to 303(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression...				Bioorg Med Chem Lett 29: 2294-2301 (2019) Article DOI: 10.1016/j.bmcl.2019.06.021 BindingDB Entry DOI: 10.7270/Q2C250VT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50521927 (CHEMBL4466797) Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)C2CCN(C)CC2)ncc1F |r| Show InChI InChI=1S/C24H30FN7/c1-16-5-3-4-10-32-23(16)19(14-28-32)22-20(25)15-27-24(30-22)29-21-7-6-18(13-26-21)17-8-11-31(2)12-9-17/h6-7,13-17H,3-5,8-12H2,1-2H3,(H,26,27,29,30)/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human full length GST-tagged CDK4 (1 to 303(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression...				Bioorg Med Chem Lett 29: 2294-2301 (2019) Article DOI: 10.1016/j.bmcl.2019.06.021 BindingDB Entry DOI: 10.7270/Q2C250VT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50521940 (CHEMBL4539133) Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)ncc1F |r| Show InChI InChI=1S/C25H33FN8/c1-17-6-4-5-11-34-24(17)20(15-29-34)23-21(26)16-28-25(31-23)30-22-8-7-19(14-27-22)33-12-9-18(10-13-33)32(2)3/h7-8,14-18H,4-6,9-13H2,1-3H3,(H,27,28,30,31)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human full length GST-tagged CDK4 (1 to 303(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression...				Bioorg Med Chem Lett 29: 2294-2301 (2019) Article DOI: 10.1016/j.bmcl.2019.06.021 BindingDB Entry DOI: 10.7270/Q2C250VT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50521924 (CHEMBL4578267) Show SMILES C[C@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F |r| Show InChI InChI=1S/C23H29FN8/c1-16-5-3-4-8-32-22(16)18(14-27-32)21-19(24)15-26-23(29-21)28-20-7-6-17(13-25-20)31-11-9-30(2)10-12-31/h6-7,13-16H,3-5,8-12H2,1-2H3,(H,25,26,28,29)/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human full length GST-tagged CDK4 (1 to 303(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression...				Bioorg Med Chem Lett 29: 2294-2301 (2019) Article DOI: 10.1016/j.bmcl.2019.06.021 BindingDB Entry DOI: 10.7270/Q2C250VT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50521939 (CHEMBL4520067) Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cnn4CCCC[C@@H](C)c34)nc2)CC1 |r| Show InChI InChI=1S/C25H33FN8/c1-3-32-10-12-33(13-11-32)17-19-7-8-22(27-14-19)30-25-28-16-21(26)23(31-25)20-15-29-34-9-5-4-6-18(2)24(20)34/h7-8,14-16,18H,3-6,9-13,17H2,1-2H3,(H,27,28,30,31)/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human full length GST-tagged CDK4 (1 to 303(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression...				Bioorg Med Chem Lett 29: 2294-2301 (2019) Article DOI: 10.1016/j.bmcl.2019.06.021 BindingDB Entry DOI: 10.7270/Q2C250VT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50521926 (CHEMBL4561999) Show SMILES C[C@@H]1CCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F |r| Show InChI InChI=1S/C22H27FN8/c1-15-4-3-7-31-21(15)17(13-26-31)20-18(23)14-25-22(28-20)27-19-6-5-16(12-24-19)30-10-8-29(2)9-11-30/h5-6,12-15H,3-4,7-11H2,1-2H3,(H,24,25,27,28)/t15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human full length GST-tagged CDK4 (1 to 303(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression...				Bioorg Med Chem Lett 29: 2294-2301 (2019) Article DOI: 10.1016/j.bmcl.2019.06.021 BindingDB Entry DOI: 10.7270/Q2C250VT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50521937 (CHEMBL4564687) Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CC3(CN(CCF)C3)C2)ncc1F |r| Show InChI InChI=1S/C25H30F2N8/c1-17-4-2-3-8-35-23(17)19(11-30-35)22-20(27)12-29-24(32-22)31-21-6-5-18(10-28-21)34-15-25(16-34)13-33(14-25)9-7-26/h5-6,10-12,17H,2-4,7-9,13-16H2,1H3,(H,28,29,31,32)/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human full length GST-tagged CDK6 (1 to 326(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression...				Bioorg Med Chem Lett 29: 2294-2301 (2019) Article DOI: 10.1016/j.bmcl.2019.06.021 BindingDB Entry DOI: 10.7270/Q2C250VT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50521935 (CHEMBL4589135) Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CC3(CN(C)C3)C2)ncc1F |r| Show InChI InChI=1S/C24H29FN8/c1-16-5-3-4-8-33-22(16)18(10-28-33)21-19(25)11-27-23(30-21)29-20-7-6-17(9-26-20)32-14-24(15-32)12-31(2)13-24/h6-7,9-11,16H,3-5,8,12-15H2,1-2H3,(H,26,27,29,30)/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human full length GST-tagged CDK6 (1 to 326(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression...				Bioorg Med Chem Lett 29: 2294-2301 (2019) Article DOI: 10.1016/j.bmcl.2019.06.021 BindingDB Entry DOI: 10.7270/Q2C250VT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50521932 (CHEMBL4588989) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cnn3CCCCCc23)nc1 Show InChI InChI=1S/C22H27FN8/c1-29-9-11-30(12-10-29)16-6-7-20(24-13-16)27-22-25-15-18(23)21(28-22)17-14-26-31-8-4-2-3-5-19(17)31/h6-7,13-15H,2-5,8-12H2,1H3,(H,24,25,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human full length GST-tagged CDK4 (1 to 303(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression...				Bioorg Med Chem Lett 29: 2294-2301 (2019) Article DOI: 10.1016/j.bmcl.2019.06.021 BindingDB Entry DOI: 10.7270/Q2C250VT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50521938 (CHEMBL4545456) Show SMILES CCN1CC2(C1)CN(C2)c1ccc(Nc2ncc(F)c(n2)-c2cnn3CCCC[C@@H](C)c23)nc1 |r| Show InChI InChI=1S/C25H31FN8/c1-3-32-13-25(14-32)15-33(16-25)18-7-8-21(27-10-18)30-24-28-12-20(26)22(31-24)19-11-29-34-9-5-4-6-17(2)23(19)34/h7-8,10-12,17H,3-6,9,13-16H2,1-2H3,(H,27,28,30,31)/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human full length GST-tagged CDK6 (1 to 326(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression...				Bioorg Med Chem Lett 29: 2294-2301 (2019) Article DOI: 10.1016/j.bmcl.2019.06.021 BindingDB Entry DOI: 10.7270/Q2C250VT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50521928 (CHEMBL4536835) Show SMILES CC(C)c1c(cnn1C)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F Show InChI InChI=1S/C21H27FN8/c1-14(2)20-16(12-25-29(20)4)19-17(22)13-24-21(27-19)26-18-6-5-15(11-23-18)30-9-7-28(3)8-10-30/h5-6,11-14H,7-10H2,1-4H3,(H,23,24,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human full length GST-tagged CDK4 (1 to 303(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression...				Bioorg Med Chem Lett 29: 2294-2301 (2019) Article DOI: 10.1016/j.bmcl.2019.06.021 BindingDB Entry DOI: 10.7270/Q2C250VT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50521925 (CHEMBL4529532) Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CC3(CN(CCCF)C3)C2)ncc1F |r| Show InChI InChI=1S/C26H32F2N8/c1-18-5-2-3-10-36-24(18)20(12-31-36)23-21(28)13-30-25(33-23)32-22-7-6-19(11-29-22)35-16-26(17-35)14-34(15-26)9-4-8-27/h6-7,11-13,18H,2-5,8-10,14-17H2,1H3,(H,29,30,32,33)/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human full length GST-tagged CDK6 (1 to 326(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression...				Bioorg Med Chem Lett 29: 2294-2301 (2019) Article DOI: 10.1016/j.bmcl.2019.06.021 BindingDB Entry DOI: 10.7270/Q2C250VT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50521941 (CHEMBL4569666) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cnn3CCCCc23)nc1 Show InChI InChI=1S/C21H25FN8/c1-28-8-10-29(11-9-28)15-5-6-19(23-12-15)26-21-24-14-17(22)20(27-21)16-13-25-30-7-3-2-4-18(16)30/h5-6,12-14H,2-4,7-11H2,1H3,(H,23,24,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human full length GST-tagged CDK4 (1 to 303(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression...				Bioorg Med Chem Lett 29: 2294-2301 (2019) Article DOI: 10.1016/j.bmcl.2019.06.021 BindingDB Entry DOI: 10.7270/Q2C250VT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50521931 (CHEMBL4435669) Show SMILES C[C@H]1CCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F |r| Show InChI InChI=1S/C22H27FN8/c1-15-4-3-7-31-21(15)17(13-26-31)20-18(23)14-25-22(28-20)27-19-6-5-16(12-24-19)30-10-8-29(2)9-11-30/h5-6,12-15H,3-4,7-11H2,1-2H3,(H,24,25,27,28)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human full length GST-tagged CDK4 (1 to 303(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression...				Bioorg Med Chem Lett 29: 2294-2301 (2019) Article DOI: 10.1016/j.bmcl.2019.06.021 BindingDB Entry DOI: 10.7270/Q2C250VT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50521936 (CHEMBL4560219) Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CC3(CN(C3)C3COC3)C2)ncc1F |r| Show InChI InChI=1S/C26H31FN8O/c1-17-4-2-3-7-35-24(17)20(9-30-35)23-21(27)10-29-25(32-23)31-22-6-5-18(8-28-22)33-13-26(14-33)15-34(16-26)19-11-36-12-19/h5-6,8-10,17,19H,2-4,7,11-16H2,1H3,(H,28,29,31,32)/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human full length GST-tagged CDK6 (1 to 326(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression...				Bioorg Med Chem Lett 29: 2294-2301 (2019) Article DOI: 10.1016/j.bmcl.2019.06.021 BindingDB Entry DOI: 10.7270/Q2C250VT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50521933 (CHEMBL4440980) Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F |r| Show InChI InChI=1S/C23H29FN8/c1-16-5-3-4-8-32-22(16)18(14-27-32)21-19(24)15-26-23(29-21)28-20-7-6-17(13-25-20)31-11-9-30(2)10-12-31/h6-7,13-16H,3-5,8-12H2,1-2H3,(H,25,26,28,29)/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human full length GST-tagged CDK6 (1 to 326(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression...				Bioorg Med Chem Lett 29: 2294-2301 (2019) Article DOI: 10.1016/j.bmcl.2019.06.021 BindingDB Entry DOI: 10.7270/Q2C250VT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50521934 (CHEMBL4546255) Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CCOCC2)ncc1F |r| Show InChI InChI=1S/C22H26FN7O/c1-15-4-2-3-7-30-21(15)17(13-26-30)20-18(23)14-25-22(28-20)27-19-6-5-16(12-24-19)29-8-10-31-11-9-29/h5-6,12-15H,2-4,7-11H2,1H3,(H,24,25,27,28)/t15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human full length GST-tagged CDK6 (1 to 326(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression...				Bioorg Med Chem Lett 29: 2294-2301 (2019) Article DOI: 10.1016/j.bmcl.2019.06.021 BindingDB Entry DOI: 10.7270/Q2C250VT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50521940 (CHEMBL4539133) Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)ncc1F |r| Show InChI InChI=1S/C25H33FN8/c1-17-6-4-5-11-34-24(17)20(15-29-34)23-21(26)16-28-25(31-23)30-22-8-7-19(14-27-22)33-12-9-18(10-13-33)32(2)3/h7-8,14-18H,4-6,9-13H2,1-3H3,(H,27,28,30,31)/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human full length GST-tagged CDK6 (1 to 326(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression...				Bioorg Med Chem Lett 29: 2294-2301 (2019) Article DOI: 10.1016/j.bmcl.2019.06.021 BindingDB Entry DOI: 10.7270/Q2C250VT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50330290 (CHEMBL1272326 | Cyclohexyl-[4-(3-isopropyl-1H-pyra...) Show SMILES CC(C)c1[nH]ncc1-c1ccnc(NC2CCCCC2)n1 Show InChI InChI=1S/C16H23N5/c1-11(2)15-13(10-18-21-15)14-8-9-17-16(20-14)19-12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3,(H,18,21)(H,17,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human full length GST-tagged CDK4 (1 to 303(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression...				Bioorg Med Chem Lett 29: 2294-2301 (2019) Article DOI: 10.1016/j.bmcl.2019.06.021 BindingDB Entry DOI: 10.7270/Q2C250VT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50521927 (CHEMBL4466797) Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)C2CCN(C)CC2)ncc1F |r| Show InChI InChI=1S/C24H30FN7/c1-16-5-3-4-10-32-23(16)19(14-28-32)22-20(25)15-27-24(30-22)29-21-7-6-18(13-26-21)17-8-11-31(2)12-9-17/h6-7,13-17H,3-5,8-12H2,1-2H3,(H,26,27,29,30)/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human full length GST-tagged CDK6 (1 to 326(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression...				Bioorg Med Chem Lett 29: 2294-2301 (2019) Article DOI: 10.1016/j.bmcl.2019.06.021 BindingDB Entry DOI: 10.7270/Q2C250VT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50521926 (CHEMBL4561999) Show SMILES C[C@@H]1CCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F |r| Show InChI InChI=1S/C22H27FN8/c1-15-4-3-7-31-21(15)17(13-26-31)20-18(23)14-25-22(28-20)27-19-6-5-16(12-24-19)30-10-8-29(2)9-11-30/h5-6,12-15H,3-4,7-11H2,1-2H3,(H,24,25,27,28)/t15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human full length GST-tagged CDK6 (1 to 326(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression...				Bioorg Med Chem Lett 29: 2294-2301 (2019) Article DOI: 10.1016/j.bmcl.2019.06.021 BindingDB Entry DOI: 10.7270/Q2C250VT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50521923 (CHEMBL4438971) Show SMILES COCCN1CCC(CC1)Nc1nccc(n1)-c1cn[nH]c1C(C)C Show InChI InChI=1S/C18H28N6O/c1-13(2)17-15(12-20-23-17)16-4-7-19-18(22-16)21-14-5-8-24(9-6-14)10-11-25-3/h4,7,12-14H,5-6,8-11H2,1-3H3,(H,20,23)(H,19,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human full length GST-tagged CDK4 (1 to 303(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression...				Bioorg Med Chem Lett 29: 2294-2301 (2019) Article DOI: 10.1016/j.bmcl.2019.06.021 BindingDB Entry DOI: 10.7270/Q2C250VT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50521924 (CHEMBL4578267) Show SMILES C[C@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F |r| Show InChI InChI=1S/C23H29FN8/c1-16-5-3-4-8-32-22(16)18(14-27-32)21-19(24)15-26-23(29-21)28-20-7-6-17(13-25-20)31-11-9-30(2)10-12-31/h6-7,13-16H,3-5,8-12H2,1-2H3,(H,25,26,28,29)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human full length GST-tagged CDK6 (1 to 326(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression...				Bioorg Med Chem Lett 29: 2294-2301 (2019) Article DOI: 10.1016/j.bmcl.2019.06.021 BindingDB Entry DOI: 10.7270/Q2C250VT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50330290 (CHEMBL1272326 | Cyclohexyl-[4-(3-isopropyl-1H-pyra...) Show SMILES CC(C)c1[nH]ncc1-c1ccnc(NC2CCCCC2)n1 Show InChI InChI=1S/C16H23N5/c1-11(2)15-13(10-18-21-15)14-8-9-17-16(20-14)19-12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3,(H,18,21)(H,17,19,20)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human full length GST-tagged CDK2 (1 to 298(end) amino acids)/Cyclin E1 (1 to 410(end) amino acids) expressed in baculovirus expression...				Bioorg Med Chem Lett 29: 2294-2301 (2019) Article DOI: 10.1016/j.bmcl.2019.06.021 BindingDB Entry DOI: 10.7270/Q2C250VT
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50330290 (CHEMBL1272326 | Cyclohexyl-[4-(3-isopropyl-1H-pyra...) Show SMILES CC(C)c1[nH]ncc1-c1ccnc(NC2CCCCC2)n1 Show InChI InChI=1S/C16H23N5/c1-11(2)15-13(10-18-21-15)14-8-9-17-16(20-14)19-12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3,(H,18,21)(H,17,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant full length GST-tagged CDK1/Cyclin A2 expressed in sf9 insect cells assessed as inhibition constant using Ulight-4E-B...				Bioorg Med Chem Lett 29: 2294-2301 (2019) Article DOI: 10.1016/j.bmcl.2019.06.021 BindingDB Entry DOI: 10.7270/Q2C250VT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50521932 (CHEMBL4588989) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cnn3CCCCCc23)nc1 Show InChI InChI=1S/C22H27FN8/c1-29-9-11-30(12-10-29)16-6-7-20(24-13-16)27-22-25-15-18(23)21(28-22)17-14-26-31-8-4-2-3-5-19(17)31/h6-7,13-15H,2-5,8-12H2,1H3,(H,24,25,27,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human full length GST-tagged CDK6 (1 to 326(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression...				Bioorg Med Chem Lett 29: 2294-2301 (2019) Article DOI: 10.1016/j.bmcl.2019.06.021 BindingDB Entry DOI: 10.7270/Q2C250VT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50521928 (CHEMBL4536835) Show SMILES CC(C)c1c(cnn1C)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F Show InChI InChI=1S/C21H27FN8/c1-14(2)20-16(12-25-29(20)4)19-17(22)13-24-21(27-19)26-18-6-5-15(11-23-18)30-9-7-28(3)8-10-30/h5-6,11-14H,7-10H2,1-4H3,(H,23,24,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human full length GST-tagged CDK6 (1 to 326(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression...				Bioorg Med Chem Lett 29: 2294-2301 (2019) Article DOI: 10.1016/j.bmcl.2019.06.021 BindingDB Entry DOI: 10.7270/Q2C250VT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50521939 (CHEMBL4520067) Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cnn4CCCC[C@@H](C)c34)nc2)CC1 |r| Show InChI InChI=1S/C25H33FN8/c1-3-32-10-12-33(13-11-32)17-19-7-8-22(27-14-19)30-25-28-16-21(26)23(31-25)20-15-29-34-9-5-4-6-18(2)24(20)34/h7-8,14-16,18H,3-6,9-13,17H2,1-2H3,(H,27,28,30,31)/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human full length GST-tagged CDK6 (1 to 326(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression...				Bioorg Med Chem Lett 29: 2294-2301 (2019) Article DOI: 10.1016/j.bmcl.2019.06.021 BindingDB Entry DOI: 10.7270/Q2C250VT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50521931 (CHEMBL4435669) Show SMILES C[C@H]1CCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F |r| Show InChI InChI=1S/C22H27FN8/c1-15-4-3-7-31-21(15)17(13-26-31)20-18(23)14-25-22(28-20)27-19-6-5-16(12-24-19)30-10-8-29(2)9-11-30/h5-6,12-15H,3-4,7-11H2,1-2H3,(H,24,25,27,28)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human full length GST-tagged CDK6 (1 to 326(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression...				Bioorg Med Chem Lett 29: 2294-2301 (2019) Article DOI: 10.1016/j.bmcl.2019.06.021 BindingDB Entry DOI: 10.7270/Q2C250VT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50521941 (CHEMBL4569666) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cnn3CCCCc23)nc1 Show InChI InChI=1S/C21H25FN8/c1-28-8-10-29(11-9-28)15-5-6-19(23-12-15)26-21-24-14-17(22)20(27-21)16-13-25-30-7-3-2-4-18(16)30/h5-6,12-14H,2-4,7-11H2,1H3,(H,23,24,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human full length GST-tagged CDK6 (1 to 326(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression...				Bioorg Med Chem Lett 29: 2294-2301 (2019) Article DOI: 10.1016/j.bmcl.2019.06.021 BindingDB Entry DOI: 10.7270/Q2C250VT
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50521937 (CHEMBL4564687) Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CC3(CN(CCF)C3)C2)ncc1F |r| Show InChI InChI=1S/C25H30F2N8/c1-17-4-2-3-8-35-23(17)19(11-30-35)22-20(27)12-29-24(32-22)31-21-6-5-18(10-28-21)34-15-25(16-34)13-33(14-25)9-7-26/h5-6,10-12,17H,2-4,7-9,13-16H2,1H3,(H,28,29,31,32)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant full length GST-tagged CDK1/Cyclin A2 expressed in sf9 insect cells assessed as inhibition constant using Ulight-4E-B...				Bioorg Med Chem Lett 29: 2294-2301 (2019) Article DOI: 10.1016/j.bmcl.2019.06.021 BindingDB Entry DOI: 10.7270/Q2C250VT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50521930 (CHEMBL4447396) Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cnn3CCCCc23)nc1 Show InChI InChI=1S/C21H26N8/c1-27-10-12-28(13-11-27)16-5-6-20(23-14-16)26-21-22-8-7-18(25-21)17-15-24-29-9-3-2-4-19(17)29/h5-8,14-15H,2-4,9-13H2,1H3,(H,22,23,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human full length GST-tagged CDK4 (1 to 303(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression...				Bioorg Med Chem Lett 29: 2294-2301 (2019) Article DOI: 10.1016/j.bmcl.2019.06.021 BindingDB Entry DOI: 10.7270/Q2C250VT
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50521935 (CHEMBL4589135) Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CC3(CN(C)C3)C2)ncc1F |r| Show InChI InChI=1S/C24H29FN8/c1-16-5-3-4-8-33-22(16)18(10-28-33)21-19(25)11-27-23(30-21)29-20-7-6-17(9-26-20)32-14-24(15-32)12-31(2)13-24/h6-7,9-11,16H,3-5,8,12-15H2,1-2H3,(H,26,27,29,30)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant full length GST-tagged CDK1/Cyclin A2 expressed in sf9 insect cells assessed as inhibition constant using Ulight-4E-B...				Bioorg Med Chem Lett 29: 2294-2301 (2019) Article DOI: 10.1016/j.bmcl.2019.06.021 BindingDB Entry DOI: 10.7270/Q2C250VT
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50521934 (CHEMBL4546255) Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CCOCC2)ncc1F |r| Show InChI InChI=1S/C22H26FN7O/c1-15-4-2-3-7-30-21(15)17(13-26-30)20-18(23)14-25-22(28-20)27-19-6-5-16(12-24-19)29-8-10-31-11-9-29/h5-6,12-15H,2-4,7-11H2,1H3,(H,24,25,27,28)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant full length GST-tagged CDK1/Cyclin A2 expressed in sf9 insect cells assessed as inhibition constant using Ulight-4E-B...				Bioorg Med Chem Lett 29: 2294-2301 (2019) Article DOI: 10.1016/j.bmcl.2019.06.021 BindingDB Entry DOI: 10.7270/Q2C250VT
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50521936 (CHEMBL4560219) Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CC3(CN(C3)C3COC3)C2)ncc1F |r| Show InChI InChI=1S/C26H31FN8O/c1-17-4-2-3-7-35-24(17)20(9-30-35)23-21(27)10-29-25(32-23)31-22-6-5-18(8-28-22)33-13-26(14-33)15-34(16-26)19-11-36-12-19/h5-6,8-10,17,19H,2-4,7,11-16H2,1H3,(H,28,29,31,32)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant full length GST-tagged CDK1/Cyclin A2 expressed in sf9 insect cells assessed as inhibition constant using Ulight-4E-B...				Bioorg Med Chem Lett 29: 2294-2301 (2019) Article DOI: 10.1016/j.bmcl.2019.06.021 BindingDB Entry DOI: 10.7270/Q2C250VT
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50521933 (CHEMBL4440980) Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F |r| Show InChI InChI=1S/C23H29FN8/c1-16-5-3-4-8-32-22(16)18(14-27-32)21-19(24)15-26-23(29-21)28-20-7-6-17(13-25-20)31-11-9-30(2)10-12-31/h6-7,13-16H,3-5,8-12H2,1-2H3,(H,25,26,28,29)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant full length GST-tagged CDK1/Cyclin A2 expressed in sf9 insect cells assessed as inhibition constant using Ulight-4E-B...				Bioorg Med Chem Lett 29: 2294-2301 (2019) Article DOI: 10.1016/j.bmcl.2019.06.021 BindingDB Entry DOI: 10.7270/Q2C250VT
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50521925 (CHEMBL4529532) Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CC3(CN(CCCF)C3)C2)ncc1F |r| Show InChI InChI=1S/C26H32F2N8/c1-18-5-2-3-10-36-24(18)20(12-31-36)23-21(28)13-30-25(33-23)32-22-7-6-19(11-29-22)35-16-26(17-35)14-34(15-26)9-4-8-27/h6-7,11-13,18H,2-5,8-10,14-17H2,1H3,(H,29,30,32,33)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant full length GST-tagged CDK1/Cyclin A2 expressed in sf9 insect cells assessed as inhibition constant using Ulight-4E-B...				Bioorg Med Chem Lett 29: 2294-2301 (2019) Article DOI: 10.1016/j.bmcl.2019.06.021 BindingDB Entry DOI: 10.7270/Q2C250VT
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50521938 (CHEMBL4545456) Show SMILES CCN1CC2(C1)CN(C2)c1ccc(Nc2ncc(F)c(n2)-c2cnn3CCCC[C@@H](C)c23)nc1 |r| Show InChI InChI=1S/C25H31FN8/c1-3-32-13-25(14-32)15-33(16-25)18-7-8-21(27-10-18)30-24-28-12-20(26)22(31-24)19-11-29-34-9-5-4-6-17(2)23(19)34/h7-8,10-12,17H,3-6,9,13-16H2,1-2H3,(H,27,28,30,31)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant full length GST-tagged CDK1/Cyclin A2 expressed in sf9 insect cells assessed as inhibition constant using Ulight-4E-B...				Bioorg Med Chem Lett 29: 2294-2301 (2019) Article DOI: 10.1016/j.bmcl.2019.06.021 BindingDB Entry DOI: 10.7270/Q2C250VT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50521929 (CHEMBL4464950) Show SMILES COCCN1CCC(CC1)Nc1nccc(n1)-c1cnn2CCCCc12 Show InChI InChI=1S/C19H28N6O/c1-26-13-12-24-10-6-15(7-11-24)22-19-20-8-5-17(23-19)16-14-21-25-9-3-2-4-18(16)25/h5,8,14-15H,2-4,6-7,9-13H2,1H3,(H,20,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human full length GST-tagged CDK4 (1 to 303(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression...				Bioorg Med Chem Lett 29: 2294-2301 (2019) Article DOI: 10.1016/j.bmcl.2019.06.021 BindingDB Entry DOI: 10.7270/Q2C250VT
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50521940 (CHEMBL4539133) Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)ncc1F |r| Show InChI InChI=1S/C25H33FN8/c1-17-6-4-5-11-34-24(17)20(15-29-34)23-21(26)16-28-25(31-23)30-22-8-7-19(14-27-22)33-12-9-18(10-13-33)32(2)3/h7-8,14-18H,4-6,9-13H2,1-3H3,(H,27,28,30,31)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant full length GST-tagged CDK1/Cyclin A2 expressed in sf9 insect cells assessed as inhibition constant using Ulight-4E-B...				Bioorg Med Chem Lett 29: 2294-2301 (2019) Article DOI: 10.1016/j.bmcl.2019.06.021 BindingDB Entry DOI: 10.7270/Q2C250VT
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50521923 (CHEMBL4438971) Show SMILES COCCN1CCC(CC1)Nc1nccc(n1)-c1cn[nH]c1C(C)C Show InChI InChI=1S/C18H28N6O/c1-13(2)17-15(12-20-23-17)16-4-7-19-18(22-16)21-14-5-8-24(9-6-14)10-11-25-3/h4,7,12-14H,5-6,8-11H2,1-3H3,(H,20,23)(H,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant full length GST-tagged CDK1/Cyclin A2 expressed in sf9 insect cells assessed as inhibition constant using Ulight-4E-B...				Bioorg Med Chem Lett 29: 2294-2301 (2019) Article DOI: 10.1016/j.bmcl.2019.06.021 BindingDB Entry DOI: 10.7270/Q2C250VT
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50521927 (CHEMBL4466797) Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)C2CCN(C)CC2)ncc1F |r| Show InChI InChI=1S/C24H30FN7/c1-16-5-3-4-10-32-23(16)19(14-28-32)22-20(25)15-27-24(30-22)29-21-7-6-18(13-26-21)17-8-11-31(2)12-9-17/h6-7,13-17H,3-5,8-12H2,1-2H3,(H,26,27,29,30)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant full length GST-tagged CDK1/Cyclin A2 expressed in sf9 insect cells assessed as inhibition constant using Ulight-4E-B...				Bioorg Med Chem Lett 29: 2294-2301 (2019) Article DOI: 10.1016/j.bmcl.2019.06.021 BindingDB Entry DOI: 10.7270/Q2C250VT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50521923 (CHEMBL4438971) Show SMILES COCCN1CCC(CC1)Nc1nccc(n1)-c1cn[nH]c1C(C)C Show InChI InChI=1S/C18H28N6O/c1-13(2)17-15(12-20-23-17)16-4-7-19-18(22-16)21-14-5-8-24(9-6-14)10-11-25-3/h4,7,12-14H,5-6,8-11H2,1-3H3,(H,20,23)(H,19,21,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human full length GST-tagged CDK2 (1 to 298(end) amino acids)/Cyclin E1 (1 to 410(end) amino acids) expressed in baculovirus expression...				Bioorg Med Chem Lett 29: 2294-2301 (2019) Article DOI: 10.1016/j.bmcl.2019.06.021 BindingDB Entry DOI: 10.7270/Q2C250VT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50330290 (CHEMBL1272326 | Cyclohexyl-[4-(3-isopropyl-1H-pyra...) Show SMILES CC(C)c1[nH]ncc1-c1ccnc(NC2CCCCC2)n1 Show InChI InChI=1S/C16H23N5/c1-11(2)15-13(10-18-21-15)14-8-9-17-16(20-14)19-12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3,(H,18,21)(H,17,19,20)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human full length GST-tagged CDK6 (1 to 326(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression...				Bioorg Med Chem Lett 29: 2294-2301 (2019) Article DOI: 10.1016/j.bmcl.2019.06.021 BindingDB Entry DOI: 10.7270/Q2C250VT
					More data for this Ligand-Target Pair

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