Compile Data Set for Download or QSAR

Found 80 hits Enz. Inhib. hit(s) with all data for entry = 50009280   

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 7 (Homo sapiens (Human))	BDBM50526793 (CHEMBL4562323) Show SMILES CC(C)c1cnn2c(NCc3ccccc3-n3cccn3)nc(OC3CCCNC3)nc12 Show InChI InChI=1S/C23H28N8O/c1-16(2)19-15-27-31-21(19)28-23(32-18-8-5-10-24-14-18)29-22(31)25-13-17-7-3-4-9-20(17)30-12-6-11-26-30/h3-4,6-7,9,11-12,15-16,18,24H,5,8,10,13-14H2,1-2H3,(H,25,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK7 (unknown origin)				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641 BindingDB Entry DOI: 10.7270/Q24X5C86
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50139171 (Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...) Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r| Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641 BindingDB Entry DOI: 10.7270/Q24X5C86
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM50139171 (Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...) Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r| Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK5 (unknown origin)				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641 BindingDB Entry DOI: 10.7270/Q24X5C86
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50526804 (CHEMBL4553241) Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@]3(CO)CCNC3)nc12 |r| Show InChI InChI=1S/C22H30N6O/c1-16(2)18-12-26-28-20(24-11-17-6-4-3-5-7-17)10-19(27-21(18)28)25-14-22(15-29)8-9-23-13-22/h3-7,10,12,16,23-24,29H,8-9,11,13-15H2,1-2H3,(H,25,27)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK2/cycE1 (unknown origin) by luciferase reporter gene assay				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641 BindingDB Entry DOI: 10.7270/Q24X5C86
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50139171 (Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...) Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r| Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK1 (unknown origin)				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641 BindingDB Entry DOI: 10.7270/Q24X5C86
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50139171 (Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...) Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r| Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK9 (unknown origin)				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641 BindingDB Entry DOI: 10.7270/Q24X5C86
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM50526792 (CHEMBL4454044) Show SMILES CC(C)c1cnn2c(NCc3ccccc3N(C)C)nc(OC3CCN(C)CC3)nc12 Show InChI InChI=1S/C23H33N7O/c1-16(2)19-15-25-30-21(19)26-23(31-18-10-12-29(5)13-11-18)27-22(30)24-14-17-8-6-7-9-20(17)28(3)4/h6-9,15-16,18H,10-14H2,1-5H3,(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK7 (unknown origin)				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641 BindingDB Entry DOI: 10.7270/Q24X5C86
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM50526799 (CHEMBL4440386) Show SMILES CC(C)c1cnn2c(NCc3cccc4n(C)ncc34)nc(OC3CCCNC3)nc12 Show InChI InChI=1S/C22H28N8O/c1-14(2)17-12-26-30-20(17)27-22(31-16-7-5-9-23-11-16)28-21(30)24-10-15-6-4-8-19-18(15)13-25-29(19)3/h4,6,8,12-14,16,23H,5,7,9-11H2,1-3H3,(H,24,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK7 (unknown origin)				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641 BindingDB Entry DOI: 10.7270/Q24X5C86
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM50526798 (CHEMBL4552441) Show SMILES CC(C)c1cnn2c(NCc3cccc4[nH]ncc34)nc(OC3CCCNC3)nc12 Show InChI InChI=1S/C21H26N8O/c1-13(2)16-12-25-29-19(16)26-21(30-15-6-4-8-22-10-15)27-20(29)23-9-14-5-3-7-18-17(14)11-24-28-18/h3,5,7,11-13,15,22H,4,6,8-10H2,1-2H3,(H,24,28)(H,23,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK7 (unknown origin)				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641 BindingDB Entry DOI: 10.7270/Q24X5C86
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50526793 (CHEMBL4562323) Show SMILES CC(C)c1cnn2c(NCc3ccccc3-n3cccn3)nc(OC3CCCNC3)nc12 Show InChI InChI=1S/C23H28N8O/c1-16(2)19-15-27-31-21(19)28-23(32-18-8-5-10-24-14-18)29-22(31)25-13-17-7-3-4-9-20(17)30-12-6-11-26-30/h3-4,6-7,9,11-12,15-16,18,24H,5,8,10,13-14H2,1-2H3,(H,25,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641 BindingDB Entry DOI: 10.7270/Q24X5C86
					More data for this Ligand-Target Pair
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM50526804 (CHEMBL4553241) Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@]3(CO)CCNC3)nc12 |r| Show InChI InChI=1S/C22H30N6O/c1-16(2)18-12-26-28-20(24-11-17-6-4-3-5-7-17)10-19(27-21(18)28)25-14-22(15-29)8-9-23-13-22/h3-7,10,12,16,23-24,29H,8-9,11,13-15H2,1-2H3,(H,25,27)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK7/CycH/MAT1 (unknown origin) by luciferase reporter gene assay				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641 BindingDB Entry DOI: 10.7270/Q24X5C86
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50526794 (CHEMBL4303287 | US10787436, Compound I-18) Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1 Show InChI InChI=1S/C31H28ClN7O2/c1-39(2)15-7-14-28(40)35-21-9-5-8-20(16-21)30(41)36-22-10-6-11-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-13-4-3-12-24(25)27/h3-14,16-19,33H,15H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b14-7+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK1 (unknown origin)				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641 BindingDB Entry DOI: 10.7270/Q24X5C86
					More data for this Ligand-Target Pair
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM50526788 (CHEMBL4471850) Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@]3(O)CCNC[C@H]3O)nc12 |r| Show InChI InChI=1S/C22H30N6O2/c1-15(2)17-12-26-28-20(24-11-16-6-4-3-5-7-16)10-19(27-21(17)28)25-14-22(30)8-9-23-13-18(22)29/h3-7,10,12,15,18,23-24,29-30H,8-9,11,13-14H2,1-2H3,(H,25,27)/t18-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK7/CycH/MAT1 (unknown origin) by luciferase reporter gene assay				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641 BindingDB Entry DOI: 10.7270/Q24X5C86
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM50526801 (CHEMBL4474655) Show SMILES FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1n[nH]c2ccccc12 |r| Show InChI InChI=1S/C17H17F3N6/c18-17(19,20)12-9-22-16(23-10-4-3-7-21-8-10)24-15(12)14-11-5-1-2-6-13(11)25-26-14/h1-2,5-6,9-10,21H,3-4,7-8H2,(H,25,26)(H,22,23,24)/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK7 (unknown origin) after 4 hrs				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641 BindingDB Entry DOI: 10.7270/Q24X5C86
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM50526790 (CHEMBL4555799) Show SMILES Clc1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C17H18ClN5/c18-14-10-21-17(22-11-4-3-7-19-8-11)23-16(14)13-9-20-15-6-2-1-5-12(13)15/h1-2,5-6,9-11,19-20H,3-4,7-8H2,(H,21,22,23)/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK7 (unknown origin)				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641 BindingDB Entry DOI: 10.7270/Q24X5C86
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50526801 (CHEMBL4474655) Show SMILES FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1n[nH]c2ccccc12 |r| Show InChI InChI=1S/C17H17F3N6/c18-17(19,20)12-9-22-16(23-10-4-3-7-21-8-10)24-15(12)14-11-5-1-2-6-13(11)25-26-14/h1-2,5-6,9-10,21H,3-4,7-8H2,(H,25,26)(H,22,23,24)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK9 (unknown origin) after 4 hrs				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641 BindingDB Entry DOI: 10.7270/Q24X5C86
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM50526791 (CHEMBL4465061) Show SMILES Clc1cnc(NC2CCCCC2)nc1-c1c[nH]c2cccnc12 Show InChI InChI=1S/C17H18ClN5/c18-13-10-21-17(22-11-5-2-1-3-6-11)23-15(13)12-9-20-14-7-4-8-19-16(12)14/h4,7-11,20H,1-3,5-6H2,(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK7 (unknown origin) after 4 hrs				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641 BindingDB Entry DOI: 10.7270/Q24X5C86
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM5655 (2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...) Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r| Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK9 (unknown origin)				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641 BindingDB Entry DOI: 10.7270/Q24X5C86
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM50526800 (CHEMBL4533453) Show SMILES Clc1cnc(N[C@@H]2CCCNC2)nc1-c1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C17H18ClN5/c18-14-10-21-17(22-11-4-3-7-19-8-11)23-16(14)13-9-20-15-6-2-1-5-12(13)15/h1-2,5-6,9-11,19-20H,3-4,7-8H2,(H,21,22,23)/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK7 (unknown origin)				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641 BindingDB Entry DOI: 10.7270/Q24X5C86
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM50526803 (CHEMBL4434871 | US10870651, Compound 101) Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3cccc(NC(=O)c4ccc(NC(=O)C=C)cc4)c3)n[nH]c2C1(C)C)c1ccccc1 |r| Show InChI InChI=1S/C34H38N8O3/c1-6-29(43)35-24-17-15-23(16-18-24)32(44)37-26-14-10-13-25(19-26)36-31-27-20-42(34(2,3)30(27)39-40-31)33(45)38-28(21-41(4)5)22-11-8-7-9-12-22/h6-19,28H,1,20-21H2,2-5H3,(H,35,43)(H,37,44)(H,38,45)(H2,36,39,40)/t28-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK7 (unknown origin)				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641 BindingDB Entry DOI: 10.7270/Q24X5C86
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50526791 (CHEMBL4465061) Show SMILES Clc1cnc(NC2CCCCC2)nc1-c1c[nH]c2cccnc12 Show InChI InChI=1S/C17H18ClN5/c18-13-10-21-17(22-11-5-2-1-3-6-11)23-15(13)12-9-20-14-7-4-8-19-16(12)14/h4,7-11,20H,1-3,5-6H2,(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK9 (unknown origin) after 4 hrs				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641 BindingDB Entry DOI: 10.7270/Q24X5C86
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM50526794 (CHEMBL4303287 | US10787436, Compound I-18) Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1 Show InChI InChI=1S/C31H28ClN7O2/c1-39(2)15-7-14-28(40)35-21-9-5-8-20(16-21)30(41)36-22-10-6-11-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-13-4-3-12-24(25)27/h3-14,16-19,33H,15H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b14-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK7 (unknown origin)				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641 BindingDB Entry DOI: 10.7270/Q24X5C86
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM50110178 (CHEMBL3603847 | US10787436, Compound I-23) Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1 Show InChI InChI=1S/C31H28ClN7O2/c1-39(2)16-6-11-28(40)35-21-14-12-20(13-15-21)30(41)36-22-7-5-8-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-10-4-3-9-24(25)27/h3-15,17-19,33H,16H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b11-6+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK7 (unknown origin) after 4 hrs				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641 BindingDB Entry DOI: 10.7270/Q24X5C86
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM5655 (2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...) Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r| Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK1 (unknown origin)				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641 BindingDB Entry DOI: 10.7270/Q24X5C86
					More data for this Ligand-Target Pair
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM50526789 (CHEMBL4459754) Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@@H]3CCNC[C@H]3O)nc12 |r| Show InChI InChI=1S/C22H30N6O/c1-15(2)18-13-26-28-21(25-11-16-6-4-3-5-7-16)10-20(27-22(18)28)24-12-17-8-9-23-14-19(17)29/h3-7,10,13,15,17,19,23,25,29H,8-9,11-12,14H2,1-2H3,(H,24,27)/t17-,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK7/CycH/MAT1 (unknown origin) by luciferase reporter gene assay				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641 BindingDB Entry DOI: 10.7270/Q24X5C86
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50526804 (CHEMBL4553241) Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@]3(CO)CCNC3)nc12 |r| Show InChI InChI=1S/C22H30N6O/c1-16(2)18-12-26-28-20(24-11-17-6-4-3-5-7-17)10-19(27-21(18)28)25-14-22(15-29)8-9-23-13-22/h3-7,10,12,16,23-24,29H,8-9,11,13-15H2,1-2H3,(H,25,27)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK1 (unknown origin) by luciferase reporter gene assay				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641 BindingDB Entry DOI: 10.7270/Q24X5C86
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5931 (BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...) Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1 Show InChI InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641 BindingDB Entry DOI: 10.7270/Q24X5C86
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50526799 (CHEMBL4440386) Show SMILES CC(C)c1cnn2c(NCc3cccc4n(C)ncc34)nc(OC3CCCNC3)nc12 Show InChI InChI=1S/C22H28N8O/c1-14(2)17-12-26-30-20(17)27-22(31-16-7-5-9-23-11-16)28-21(30)24-10-15-6-4-8-19-18(15)13-25-29(19)3/h4,6,8,12-14,16,23H,5,7,9-11H2,1-3H3,(H,24,27,28)	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	<50	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641 BindingDB Entry DOI: 10.7270/Q24X5C86
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50526798 (CHEMBL4552441) Show SMILES CC(C)c1cnn2c(NCc3cccc4[nH]ncc34)nc(OC3CCCNC3)nc12 Show InChI InChI=1S/C21H26N8O/c1-13(2)16-12-25-29-19(16)26-21(30-15-6-4-8-22-10-15)27-20(29)23-9-14-5-3-7-18-17(14)11-24-28-18/h3,5,7,11-13,15,22H,4,6,8-10H2,1-2H3,(H,24,28)(H,23,26,27)	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	<50	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641 BindingDB Entry DOI: 10.7270/Q24X5C86
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50526798 (CHEMBL4552441) Show SMILES CC(C)c1cnn2c(NCc3cccc4[nH]ncc34)nc(OC3CCCNC3)nc12 Show InChI InChI=1S/C21H26N8O/c1-13(2)16-12-25-29-19(16)26-21(30-15-6-4-8-22-10-15)27-20(29)23-9-14-5-3-7-18-17(14)11-24-28-18/h3,5,7,11-13,15,22H,4,6,8-10H2,1-2H3,(H,24,28)(H,23,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK9 (unknown origin)				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641 BindingDB Entry DOI: 10.7270/Q24X5C86
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50526799 (CHEMBL4440386) Show SMILES CC(C)c1cnn2c(NCc3cccc4n(C)ncc34)nc(OC3CCCNC3)nc12 Show InChI InChI=1S/C22H28N8O/c1-14(2)17-12-26-30-20(17)27-22(31-16-7-5-9-23-11-16)28-21(30)24-10-15-6-4-8-19-18(15)13-25-29(19)3/h4,6,8,12-14,16,23H,5,7,9-11H2,1-3H3,(H,24,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK9 (unknown origin)				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641 BindingDB Entry DOI: 10.7270/Q24X5C86
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50526793 (CHEMBL4562323) Show SMILES CC(C)c1cnn2c(NCc3ccccc3-n3cccn3)nc(OC3CCCNC3)nc12 Show InChI InChI=1S/C23H28N8O/c1-16(2)19-15-27-31-21(19)28-23(32-18-8-5-10-24-14-18)29-22(31)25-13-17-7-3-4-9-20(17)30-12-6-11-26-30/h3-4,6-7,9,11-12,15-16,18,24H,5,8,10,13-14H2,1-2H3,(H,25,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK1 (unknown origin)				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641 BindingDB Entry DOI: 10.7270/Q24X5C86
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM5931 (BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...) Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1 Show InChI InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK7 (unknown origin)				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641 BindingDB Entry DOI: 10.7270/Q24X5C86
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM5655 (2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...) Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r| Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK6 (unknown origin)				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641 BindingDB Entry DOI: 10.7270/Q24X5C86
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7533 ((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...) Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641 BindingDB Entry DOI: 10.7270/Q24X5C86
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50526794 (CHEMBL4303287 | US10787436, Compound I-18) Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1 Show InChI InChI=1S/C31H28ClN7O2/c1-39(2)15-7-14-28(40)35-21-9-5-8-20(16-21)30(41)36-22-10-6-11-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-13-4-3-12-24(25)27/h3-14,16-19,33H,15H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b14-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641 BindingDB Entry DOI: 10.7270/Q24X5C86
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM5655 (2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...) Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r| Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK4 (unknown origin)				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641 BindingDB Entry DOI: 10.7270/Q24X5C86
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM50526807 (CHEMBL4467048 | US10870651, Compound 102) Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3ccc(NC(=O)c4ccc(NC(=O)C=C)cc4)cc3)n[nH]c2C1(C)C)c1ccccc1 |r| Show InChI InChI=1S/C34H38N8O3/c1-6-29(43)35-24-14-12-23(13-15-24)32(44)37-26-18-16-25(17-19-26)36-31-27-20-42(34(2,3)30(27)39-40-31)33(45)38-28(21-41(4)5)22-10-8-7-9-11-22/h6-19,28H,1,20-21H2,2-5H3,(H,35,43)(H,37,44)(H,38,45)(H2,36,39,40)/t28-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK7 (unknown origin)				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641 BindingDB Entry DOI: 10.7270/Q24X5C86
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM50526795 (CHEMBL4450322) Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)c3ccc(NC(=O)C=C)cc3)[nH]nc2C1(C)C)c1ccccc1 |r| Show InChI InChI=1S/C28H33N7O3/c1-6-23(36)29-20-14-12-19(13-15-20)26(37)31-25-21-16-35(28(2,3)24(21)32-33-25)27(38)30-22(17-34(4)5)18-10-8-7-9-11-18/h6-15,22H,1,16-17H2,2-5H3,(H,29,36)(H,30,38)(H2,31,32,33,37)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK7 (unknown origin)				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641 BindingDB Entry DOI: 10.7270/Q24X5C86
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM5655 (2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...) Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r| Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK7 (unknown origin)				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641 BindingDB Entry DOI: 10.7270/Q24X5C86
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50526794 (CHEMBL4303287 | US10787436, Compound I-18) Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1 Show InChI InChI=1S/C31H28ClN7O2/c1-39(2)15-7-14-28(40)35-21-9-5-8-20(16-21)30(41)36-22-10-6-11-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-13-4-3-12-24(25)27/h3-14,16-19,33H,15H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b14-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	134	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK9 (unknown origin)				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641 BindingDB Entry DOI: 10.7270/Q24X5C86
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM5655 (2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...) Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r| Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK5 (unknown origin)				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641 BindingDB Entry DOI: 10.7270/Q24X5C86
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5655 (2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...) Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r| Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641 BindingDB Entry DOI: 10.7270/Q24X5C86
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM50526806 (CHEMBL4303279) Show SMILES CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1 Show InChI InChI=1S/C31H30ClN7O2/c1-39(2)16-6-11-28(40)35-21-14-12-20(13-15-21)30(41)36-22-7-5-8-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-10-4-3-9-24(25)27/h3-5,7-10,12-15,17-19,33H,6,11,16H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	194	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK7 (unknown origin)				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641 BindingDB Entry DOI: 10.7270/Q24X5C86
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM7533 ((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...) Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK5 (unknown origin)				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641 BindingDB Entry DOI: 10.7270/Q24X5C86
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50526790 (CHEMBL4555799) Show SMILES Clc1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C17H18ClN5/c18-14-10-21-17(22-11-4-3-7-19-8-11)23-16(14)13-9-20-15-6-2-1-5-12(13)15/h1-2,5-6,9-11,19-20H,3-4,7-8H2,(H,21,22,23)/t11-/m0/s1	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	>200	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641 BindingDB Entry DOI: 10.7270/Q24X5C86
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50526800 (CHEMBL4533453) Show SMILES Clc1cnc(N[C@@H]2CCCNC2)nc1-c1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C17H18ClN5/c18-14-10-21-17(22-11-4-3-7-19-8-11)23-16(14)13-9-20-15-6-2-1-5-12(13)15/h1-2,5-6,9-11,19-20H,3-4,7-8H2,(H,21,22,23)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>200	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK9 (unknown origin)				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641 BindingDB Entry DOI: 10.7270/Q24X5C86
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM50526802 (CHEMBL4468921) Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(nc1)C(=O)N[C@H]1CCC[C@](C)(C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C31H35ClN8O2/c1-31(39-30-35-19-24(32)28(38-30)23-18-34-25-10-5-4-9-22(23)25)14-6-8-20(16-31)37-29(42)26-13-12-21(17-33-26)36-27(41)11-7-15-40(2)3/h4-5,7,9-13,17-20,34H,6,8,14-16H2,1-3H3,(H,36,41)(H,37,42)(H,35,38,39)/b11-7+/t20-,31+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>200	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK7 (unknown origin)				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641 BindingDB Entry DOI: 10.7270/Q24X5C86
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50526801 (CHEMBL4474655) Show SMILES FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1n[nH]c2ccccc12 |r| Show InChI InChI=1S/C17H17F3N6/c18-17(19,20)12-9-22-16(23-10-4-3-7-21-8-10)24-15(12)14-11-5-1-2-6-13(11)25-26-14/h1-2,5-6,9-10,21H,3-4,7-8H2,(H,25,26)(H,22,23,24)/t10-/m0/s1	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	>200	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin) after 4 hrs				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641 BindingDB Entry DOI: 10.7270/Q24X5C86
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50526800 (CHEMBL4533453) Show SMILES Clc1cnc(N[C@@H]2CCCNC2)nc1-c1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C17H18ClN5/c18-14-10-21-17(22-11-4-3-7-19-8-11)23-16(14)13-9-20-15-6-2-1-5-12(13)15/h1-2,5-6,9-11,19-20H,3-4,7-8H2,(H,21,22,23)/t11-/m1/s1	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	>200	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641 BindingDB Entry DOI: 10.7270/Q24X5C86
					More data for this Ligand-Target Pair

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