Compile Data Set for Download or QSAR

Found 75 hits Enz. Inhib. hit(s) with all data for entry = 11439   

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 5 (Homo sapiens (Human))	BDBM50347389 (CHEMBL1801932) Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCN)nc12 Show InChI InChI=1S/C22H32N6/c1-17(2)19-16-26-28-21(25-15-18-10-6-5-7-11-18)14-20(27-22(19)28)24-13-9-4-3-8-12-23/h5-7,10-11,14,16-17,25H,3-4,8-9,12-13,15,23H2,1-2H3,(H,24,27)	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	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lebanese American University Curated by ChEMBL					Assay Description Inhibition of CDK5 (unknown origin)				J Med Chem 63: 7458-7474 (2020) Article DOI: 10.1021/acs.jmedchem.9b01985 BindingDB Entry DOI: 10.7270/Q2C82DT8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lebanese American University Curated by ChEMBL					Assay Description Inhibition of CDK9 (unknown origin)				J Med Chem 63: 7458-7474 (2020) Article DOI: 10.1021/acs.jmedchem.9b01985 BindingDB Entry DOI: 10.7270/Q2C82DT8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (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 UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lebanese American University Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected Sf21 insect cells in presence of [gamma33P]ATP				J Med Chem 63: 7458-7474 (2020) Article DOI: 10.1021/acs.jmedchem.9b01985 BindingDB Entry DOI: 10.7270/Q2C82DT8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50347389 (CHEMBL1801932) Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCN)nc12 Show InChI InChI=1S/C22H32N6/c1-17(2)19-16-26-28-21(25-15-18-10-6-5-7-11-18)14-20(27-22(19)28)24-13-9-4-3-8-12-23/h5-7,10-11,14,16-17,25H,3-4,8-9,12-13,15,23H2,1-2H3,(H,24,27)	PDB MMDB 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	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lebanese American University Curated by ChEMBL					Assay Description Inhibition of CDK9 (unknown origin)				J Med Chem 63: 7458-7474 (2020) Article DOI: 10.1021/acs.jmedchem.9b01985 BindingDB Entry DOI: 10.7270/Q2C82DT8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50539721 (CHEMBL4635959) Show SMILES CC(C)c1cnn2c(NC3CCN(CC3)C(=O)O[C@H]3CCN(C3)C(=O)\C=C\CN(C)C)cc(C)nc12 |r| Show InChI InChI=1S/C26H39N7O3/c1-18(2)22-16-27-33-23(15-19(3)28-25(22)33)29-20-8-12-31(13-9-20)26(35)36-21-10-14-32(17-21)24(34)7-6-11-30(4)5/h6-7,15-16,18,20-21,29H,8-14,17H2,1-5H3/b7-6+/t21-/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	6.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lebanese American University Curated by ChEMBL					Assay Description Inhibition of CDK9 (unknown origin)				J Med Chem 63: 7458-7474 (2020) Article DOI: 10.1021/acs.jmedchem.9b01985 BindingDB Entry DOI: 10.7270/Q2C82DT8
					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	6.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lebanese American University Curated by ChEMBL					Assay Description Inhibition of CDK9 (unknown origin)				J Med Chem 63: 7458-7474 (2020) Article DOI: 10.1021/acs.jmedchem.9b01985 BindingDB Entry DOI: 10.7270/Q2C82DT8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 19 (Homo sapiens (Human))	BDBM50539721 (CHEMBL4635959) Show SMILES CC(C)c1cnn2c(NC3CCN(CC3)C(=O)O[C@H]3CCN(C3)C(=O)\C=C\CN(C)C)cc(C)nc12 |r| Show InChI InChI=1S/C26H39N7O3/c1-18(2)22-16-27-33-23(15-19(3)28-25(22)33)29-20-8-12-31(13-9-20)26(35)36-21-10-14-32(17-21)24(34)7-6-11-30(4)5/h6-7,15-16,18,20-21,29H,8-14,17H2,1-5H3/b7-6+/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lebanese American University Curated by ChEMBL					Assay Description Inhibition of CDK19 (unknown origin)				J Med Chem 63: 7458-7474 (2020) Article DOI: 10.1021/acs.jmedchem.9b01985 BindingDB Entry DOI: 10.7270/Q2C82DT8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50539721 (CHEMBL4635959) Show SMILES CC(C)c1cnn2c(NC3CCN(CC3)C(=O)O[C@H]3CCN(C3)C(=O)\C=C\CN(C)C)cc(C)nc12 |r| Show InChI InChI=1S/C26H39N7O3/c1-18(2)22-16-27-33-23(15-19(3)28-25(22)33)29-20-8-12-31(13-9-20)26(35)36-21-10-14-32(17-21)24(34)7-6-11-30(4)5/h6-7,15-16,18,20-21,29H,8-14,17H2,1-5H3/b7-6+/t21-/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	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lebanese American University Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				J Med Chem 63: 7458-7474 (2020) Article DOI: 10.1021/acs.jmedchem.9b01985 BindingDB Entry DOI: 10.7270/Q2C82DT8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50539721 (CHEMBL4635959) Show SMILES CC(C)c1cnn2c(NC3CCN(CC3)C(=O)O[C@H]3CCN(C3)C(=O)\C=C\CN(C)C)cc(C)nc12 |r| Show InChI InChI=1S/C26H39N7O3/c1-18(2)22-16-27-33-23(15-19(3)28-25(22)33)29-20-8-12-31(13-9-20)26(35)36-21-10-14-32(17-21)24(34)7-6-11-30(4)5/h6-7,15-16,18,20-21,29H,8-14,17H2,1-5H3/b7-6+/t21-/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	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lebanese American University Curated by ChEMBL					Assay Description Inhibition of CDK1 (unknown origin)				J Med Chem 63: 7458-7474 (2020) Article DOI: 10.1021/acs.jmedchem.9b01985 BindingDB Entry DOI: 10.7270/Q2C82DT8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 18 (Homo sapiens)	BDBM50539721 (CHEMBL4635959) Show SMILES CC(C)c1cnn2c(NC3CCN(CC3)C(=O)O[C@H]3CCN(C3)C(=O)\C=C\CN(C)C)cc(C)nc12 |r| Show InChI InChI=1S/C26H39N7O3/c1-18(2)22-16-27-33-23(15-19(3)28-25(22)33)29-20-8-12-31(13-9-20)26(35)36-21-10-14-32(17-21)24(34)7-6-11-30(4)5/h6-7,15-16,18,20-21,29H,8-14,17H2,1-5H3/b7-6+/t21-/m0/s1	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	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lebanese American University Curated by ChEMBL					Assay Description Inhibition of CDK18 (unknown origin)				J Med Chem 63: 7458-7474 (2020) Article DOI: 10.1021/acs.jmedchem.9b01985 BindingDB Entry DOI: 10.7270/Q2C82DT8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM50539721 (CHEMBL4635959) Show SMILES CC(C)c1cnn2c(NC3CCN(CC3)C(=O)O[C@H]3CCN(C3)C(=O)\C=C\CN(C)C)cc(C)nc12 |r| Show InChI InChI=1S/C26H39N7O3/c1-18(2)22-16-27-33-23(15-19(3)28-25(22)33)29-20-8-12-31(13-9-20)26(35)36-21-10-14-32(17-21)24(34)7-6-11-30(4)5/h6-7,15-16,18,20-21,29H,8-14,17H2,1-5H3/b7-6+/t21-/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	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lebanese American University Curated by ChEMBL					Assay Description Inhibition of CDK6 (unknown origin)				J Med Chem 63: 7458-7474 (2020) Article DOI: 10.1021/acs.jmedchem.9b01985 BindingDB Entry DOI: 10.7270/Q2C82DT8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 13 (Homo sapiens (Human))	BDBM50539721 (CHEMBL4635959) Show SMILES CC(C)c1cnn2c(NC3CCN(CC3)C(=O)O[C@H]3CCN(C3)C(=O)\C=C\CN(C)C)cc(C)nc12 |r| Show InChI InChI=1S/C26H39N7O3/c1-18(2)22-16-27-33-23(15-19(3)28-25(22)33)29-20-8-12-31(13-9-20)26(35)36-21-10-14-32(17-21)24(34)7-6-11-30(4)5/h6-7,15-16,18,20-21,29H,8-14,17H2,1-5H3/b7-6+/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lebanese American University Curated by ChEMBL					Assay Description Inhibition of CDK13 (unknown origin)				J Med Chem 63: 7458-7474 (2020) Article DOI: 10.1021/acs.jmedchem.9b01985 BindingDB Entry DOI: 10.7270/Q2C82DT8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 8 (Homo sapiens (Human))	BDBM50539721 (CHEMBL4635959) Show SMILES CC(C)c1cnn2c(NC3CCN(CC3)C(=O)O[C@H]3CCN(C3)C(=O)\C=C\CN(C)C)cc(C)nc12 |r| Show InChI InChI=1S/C26H39N7O3/c1-18(2)22-16-27-33-23(15-19(3)28-25(22)33)29-20-8-12-31(13-9-20)26(35)36-21-10-14-32(17-21)24(34)7-6-11-30(4)5/h6-7,15-16,18,20-21,29H,8-14,17H2,1-5H3/b7-6+/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lebanese American University Curated by ChEMBL					Assay Description Inhibition of CDK8 (unknown origin)				J Med Chem 63: 7458-7474 (2020) Article DOI: 10.1021/acs.jmedchem.9b01985 BindingDB Entry DOI: 10.7270/Q2C82DT8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 12 (Homo sapiens)	BDBM50539721 (CHEMBL4635959) Show SMILES CC(C)c1cnn2c(NC3CCN(CC3)C(=O)O[C@H]3CCN(C3)C(=O)\C=C\CN(C)C)cc(C)nc12 |r| Show InChI InChI=1S/C26H39N7O3/c1-18(2)22-16-27-33-23(15-19(3)28-25(22)33)29-20-8-12-31(13-9-20)26(35)36-21-10-14-32(17-21)24(34)7-6-11-30(4)5/h6-7,15-16,18,20-21,29H,8-14,17H2,1-5H3/b7-6+/t21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lebanese American University Curated by ChEMBL					Assay Description Inhibition of CDK12 (unknown origin)				J Med Chem 63: 7458-7474 (2020) Article DOI: 10.1021/acs.jmedchem.9b01985 BindingDB Entry DOI: 10.7270/Q2C82DT8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50347389 (CHEMBL1801932) Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCN)nc12 Show InChI InChI=1S/C22H32N6/c1-17(2)19-16-26-28-21(25-15-18-10-6-5-7-11-18)14-20(27-22(19)28)24-13-9-4-3-8-12-23/h5-7,10-11,14,16-17,25H,3-4,8-9,12-13,15,23H2,1-2H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lebanese American University Curated by ChEMBL					Assay Description Inhibition of CDK1 (unknown origin)				J Med Chem 63: 7458-7474 (2020) Article DOI: 10.1021/acs.jmedchem.9b01985 BindingDB Entry DOI: 10.7270/Q2C82DT8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 12 (Homo sapiens)	BDBM50528813 (CHEMBL4163879) Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C30H32ClN7O2/c1-37(2)15-6-10-27(39)34-21-13-11-20(12-14-21)29(40)38-16-5-7-22(19-38)35-30-33-18-25(31)28(36-30)24-17-32-26-9-4-3-8-23(24)26/h3-4,6,8-14,17-18,22,32H,5,7,15-16,19H2,1-2H3,(H,34,39)(H,33,35,36)/b10-6+/t22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lebanese American University Curated by ChEMBL					Assay Description Inhibition of CDK12 (unknown origin)				J Med Chem 63: 7458-7474 (2020) Article DOI: 10.1021/acs.jmedchem.9b01985 BindingDB Entry DOI: 10.7270/Q2C82DT8
					More data for this Ligand-Target Pair
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM50528813 (CHEMBL4163879) Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C30H32ClN7O2/c1-37(2)15-6-10-27(39)34-21-13-11-20(12-14-21)29(40)38-16-5-7-22(19-38)35-30-33-18-25(31)28(36-30)24-17-32-26-9-4-3-8-23(24)26/h3-4,6,8-14,17-18,22,32H,5,7,15-16,19H2,1-2H3,(H,34,39)(H,33,35,36)/b10-6+/t22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lebanese American University Curated by ChEMBL					Assay Description Inhibition of CDK7/cyclin H/MNAT1 (unknown origin) pre incubated up to 60 mins followed by substrate and ATP addition				J Med Chem 63: 7458-7474 (2020) Article DOI: 10.1021/acs.jmedchem.9b01985 BindingDB Entry DOI: 10.7270/Q2C82DT8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM50526797 (Ct-7001 | Ct7001 | ICEC-0942 | ICEC0942 | Samuraci...) Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@H]3CCNC[C@@H]3O)nc12 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+/m1/s1	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	9.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lebanese American University Curated by ChEMBL					Assay Description Inhibition of CDK5 (unknown origin)				J Med Chem 63: 7458-7474 (2020) Article DOI: 10.1021/acs.jmedchem.9b01985 BindingDB Entry DOI: 10.7270/Q2C82DT8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lebanese American University Curated by ChEMBL					Assay Description Inhibition of CDK9 (unknown origin)				J Med Chem 63: 7458-7474 (2020) Article DOI: 10.1021/acs.jmedchem.9b01985 BindingDB Entry DOI: 10.7270/Q2C82DT8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50347389 (CHEMBL1801932) Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCN)nc12 Show InChI InChI=1S/C22H32N6/c1-17(2)19-16-26-28-21(25-15-18-10-6-5-7-11-18)14-20(27-22(19)28)24-13-9-4-3-8-12-23/h5-7,10-11,14,16-17,25H,3-4,8-9,12-13,15,23H2,1-2H3,(H,24,27)	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	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lebanese American University Curated by ChEMBL					Assay Description Inhibition of CDK4 (unknown origin)				J Med Chem 63: 7458-7474 (2020) Article DOI: 10.1021/acs.jmedchem.9b01985 BindingDB Entry DOI: 10.7270/Q2C82DT8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM50526797 (Ct-7001 | Ct7001 | ICEC-0942 | ICEC0942 | Samuraci...) Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@H]3CCNC[C@@H]3O)nc12 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+/m1/s1	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	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lebanese American University Curated by ChEMBL					Assay Description Inhibition of CDK6 (unknown origin)				J Med Chem 63: 7458-7474 (2020) Article DOI: 10.1021/acs.jmedchem.9b01985 BindingDB Entry DOI: 10.7270/Q2C82DT8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM50347389 (CHEMBL1801932) Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCN)nc12 Show InChI InChI=1S/C22H32N6/c1-17(2)19-16-26-28-21(25-15-18-10-6-5-7-11-18)14-20(27-22(19)28)24-13-9-4-3-8-12-23/h5-7,10-11,14,16-17,25H,3-4,8-9,12-13,15,23H2,1-2H3,(H,24,27)	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	4.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lebanese American University Curated by ChEMBL					Assay Description Inhibition of CDK6 (unknown origin)				J Med Chem 63: 7458-7474 (2020) Article DOI: 10.1021/acs.jmedchem.9b01985 BindingDB Entry DOI: 10.7270/Q2C82DT8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50526797 (Ct-7001 | Ct7001 | ICEC-0942 | ICEC0942 | Samuraci...) Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@H]3CCNC[C@@H]3O)nc12 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+/m1/s1	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	4.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lebanese American University Curated by ChEMBL					Assay Description Inhibition of CDK4 (unknown origin)				J Med Chem 63: 7458-7474 (2020) Article DOI: 10.1021/acs.jmedchem.9b01985 BindingDB Entry DOI: 10.7270/Q2C82DT8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50539721 (CHEMBL4635959) Show SMILES CC(C)c1cnn2c(NC3CCN(CC3)C(=O)O[C@H]3CCN(C3)C(=O)\C=C\CN(C)C)cc(C)nc12 |r| Show InChI InChI=1S/C26H39N7O3/c1-18(2)22-16-27-33-23(15-19(3)28-25(22)33)29-20-8-12-31(13-9-20)26(35)36-21-10-14-32(17-21)24(34)7-6-11-30(4)5/h6-7,15-16,18,20-21,29H,8-14,17H2,1-5H3/b7-6+/t21-/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	>2.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
Lebanese American University Curated by ChEMBL					Assay Description Inhibition of CDK9 in human HCT116 cells assessed as inhibition of Ser2 phosphorylation				J Med Chem 63: 7458-7474 (2020) Article DOI: 10.1021/acs.jmedchem.9b01985 BindingDB Entry DOI: 10.7270/Q2C82DT8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM50539720 (CHEMBL4648392) Show SMILES CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cc(C1)cc(NC(=O)c1ccc(NC(=O)C=C)cc1)c3)n2 |t:3| Show InChI InChI=1S/C33H32N6O3/c1-3-31(40)35-26-12-10-24(11-13-26)32(41)36-27-18-23-19-28(21-27)37-33-34-15-14-30(38-33)25-8-7-9-29(20-25)42-17-6-4-5-16-39(2)22-23/h3-5,7-15,18-21H,1,6,16-17,22H2,2H3,(H,35,40)(H,36,41)(H,34,37,38)/b5-4+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a
Lebanese American University Curated by ChEMBL					Assay Description Binding affinity to CDK7 (unknown origin)				J Med Chem 63: 7458-7474 (2020) Article DOI: 10.1021/acs.jmedchem.9b01985 BindingDB Entry DOI: 10.7270/Q2C82DT8
					More data for this Ligand-Target Pair

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