Compile Data Set for Download or QSAR

Found 1030 hits with Last Name = 'barnes' and Initial = 'd'   

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
Eukaryotic translation initiation factor 4E (Homo sapiens (Human))	BDBM451155 (US10676499, Example 49) Show SMILES Cc1ccccc1-c1ccc(C[n+]2cn([C@H]3O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]3O)c3nc(N)nc([O-])c23)cc1 |r| Show InChI InChI=1S/C24H26N5O8P/c1-13-4-2-3-5-16(13)15-8-6-14(7-9-15)10-28-12-29(21-18(28)22(32)27-24(25)26-21)23-20(31)19(30)17(37-23)11-36-38(33,34)35/h2-9,12,17,19-20,23,30-31H,10-11H2,1H3,(H4-,25,26,27,32,33,34,35)/t17-,19-,20-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description Dual histidine and Avi tagged human EIF4E (His6-3C-avi-eIF4E) was expressed in 8 L of TB Media. Induction by 0.4 mM IPTG occurred at 2.0 OD600, and c...				US Patent US10676499 (2020) BindingDB Entry DOI: 10.7270/Q2K64N44
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 4E (Homo sapiens (Human))	BDBM451159 (US10676499, Example 57) Show SMILES Nc1nc([O-])c2[n+](Cc3ccc(cc3)-c3cccs3)cn([C@H]3O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]3O)c2n1 |r| Show InChI InChI=1S/C21H22N5O8PS/c22-21-23-18-15(19(29)24-21)25(8-11-3-5-12(6-4-11)14-2-1-7-36-14)10-26(18)20-17(28)16(27)13(34-20)9-33-35(30,31)32/h1-7,10,13,16-17,20,27-28H,8-9H2,(H4-,22,23,24,29,30,31,32)/t13-,16-,17-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description Dual histidine and Avi tagged human EIF4E (His6-3C-avi-eIF4E) was expressed in 8 L of TB Media. Induction by 0.4 mM IPTG occurred at 2.0 OD600, and c...				US Patent US10676499 (2020) BindingDB Entry DOI: 10.7270/Q2K64N44
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 4E (Homo sapiens (Human))	BDBM451145 (US10676499, Example 17) Show SMILES Nc1nc([O-])c2[n+](Cc3cc4ccccc4s3)cn([C@H]3O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]3O)c2n1 |r| Show InChI InChI=1S/C19H20N5O8PS/c20-19-21-16-13(17(27)22-19)23(6-10-5-9-3-1-2-4-12(9)34-10)8-24(16)18-15(26)14(25)11(32-18)7-31-33(28,29)30/h1-5,8,11,14-15,18,25-26H,6-7H2,(H4-,20,21,22,27,28,29,30)/t11-,14-,15-,18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description Dual histidine and Avi tagged human EIF4E (His6-3C-avi-eIF4E) was expressed in 8 L of TB Media. Induction by 0.4 mM IPTG occurred at 2.0 OD600, and c...				US Patent US10676499 (2020) BindingDB Entry DOI: 10.7270/Q2K64N44
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 4E (Homo sapiens (Human))	BDBM451148 (US10676499, Example 29) Show SMILES Nc1nc([O-])c2[n+](Cc3cccc(OC(F)(F)F)c3)cn([C@H]3O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]3O)c2n1 |r| Show InChI InChI=1S/C18H19F3N5O9P/c19-18(20,21)35-9-3-1-2-8(4-9)5-25-7-26(14-11(25)15(29)24-17(22)23-14)16-13(28)12(27)10(34-16)6-33-36(30,31)32/h1-4,7,10,12-13,16,27-28H,5-6H2,(H4-,22,23,24,29,30,31,32)/t10-,12-,13-,16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description Dual histidine and Avi tagged human EIF4E (His6-3C-avi-eIF4E) was expressed in 8 L of TB Media. Induction by 0.4 mM IPTG occurred at 2.0 OD600, and c...				US Patent US10676499 (2020) BindingDB Entry DOI: 10.7270/Q2K64N44
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 4E (Homo sapiens (Human))	BDBM451158 (US10676499, Example 55) Show SMILES Nc1nc([O-])c2[n+](Cc3ccc(c(Cl)c3)-c3ccccc3)cn([C@H]3O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]3O)c2n1 |r| Show InChI InChI=1S/C23H23ClN5O8P/c24-15-8-12(6-7-14(15)13-4-2-1-3-5-13)9-28-11-29(20-17(28)21(32)27-23(25)26-20)22-19(31)18(30)16(37-22)10-36-38(33,34)35/h1-8,11,16,18-19,22,30-31H,9-10H2,(H4-,25,26,27,32,33,34,35)/t16-,18-,19-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description Dual histidine and Avi tagged human EIF4E (His6-3C-avi-eIF4E) was expressed in 8 L of TB Media. Induction by 0.4 mM IPTG occurred at 2.0 OD600, and c...				US Patent US10676499 (2020) BindingDB Entry DOI: 10.7270/Q2K64N44
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 4E (Homo sapiens (Human))	BDBM451147 (US10676499, Example 26) Show SMILES COc1cccc(C[n+]2cn([C@H]3O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]3O)c3nc(N)nc([O-])c23)c1 |r| Show InChI InChI=1S/C18H22N5O9P/c1-30-10-4-2-3-9(5-10)6-22-8-23(15-12(22)16(26)21-18(19)20-15)17-14(25)13(24)11(32-17)7-31-33(27,28)29/h2-5,8,11,13-14,17,24-25H,6-7H2,1H3,(H4-,19,20,21,26,27,28,29)/t11-,13-,14-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description Dual histidine and Avi tagged human EIF4E (His6-3C-avi-eIF4E) was expressed in 8 L of TB Media. Induction by 0.4 mM IPTG occurred at 2.0 OD600, and c...				US Patent US10676499 (2020) BindingDB Entry DOI: 10.7270/Q2K64N44
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 4E (Homo sapiens (Human))	BDBM451144 (US10676499, Example 1) Show SMILES Nc1nc([O-])c2[n+](Cc3ccc(cc3)-c3ccccc3)cn([C@H]3O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]3O)c2n1 |r| Show InChI InChI=1S/C23H24N5O8P/c24-23-25-20-17(21(31)26-23)27(10-13-6-8-15(9-7-13)14-4-2-1-3-5-14)12-28(20)22-19(30)18(29)16(36-22)11-35-37(32,33)34/h1-9,12,16,18-19,22,29-30H,10-11H2,(H4-,24,25,26,31,32,33,34)/t16-,18-,19-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description Dual histidine and Avi tagged human EIF4E (His6-3C-avi-eIF4E) was expressed in 8 L of TB Media. Induction by 0.4 mM IPTG occurred at 2.0 OD600, and c...				US Patent US10676499 (2020) BindingDB Entry DOI: 10.7270/Q2K64N44
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 4E (Homo sapiens (Human))	BDBM451150 (US10676499, Example 33) Show SMILES Nc1nc([O-])c2[n+](Cc3cccc(Oc4ccccc4)c3)cn([C@H]3O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]3O)c2n1 |r| Show InChI InChI=1S/C23H24N5O9P/c24-23-25-20-17(21(31)26-23)27(10-13-5-4-8-15(9-13)36-14-6-2-1-3-7-14)12-28(20)22-19(30)18(29)16(37-22)11-35-38(32,33)34/h1-9,12,16,18-19,22,29-30H,10-11H2,(H4-,24,25,26,31,32,33,34)/t16-,18-,19-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description Dual histidine and Avi tagged human EIF4E (His6-3C-avi-eIF4E) was expressed in 8 L of TB Media. Induction by 0.4 mM IPTG occurred at 2.0 OD600, and c...				US Patent US10676499 (2020) BindingDB Entry DOI: 10.7270/Q2K64N44
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 4E (Homo sapiens (Human))	BDBM451146 (US10676499, Example 18) Show SMILES CO[C@H]1[C@@H](O)[C@H](COP(O)(O)=O)O[C@@H]1n1c[n+](CCOc2ccc(Cl)cc2)c2c([O-])nc(N)nc12 |r| Show InChI InChI=1S/C19H23ClN5O9P/c1-31-15-14(26)12(8-33-35(28,29)30)34-18(15)25-9-24(13-16(25)22-19(21)23-17(13)27)6-7-32-11-4-2-10(20)3-5-11/h2-5,9,12,14-15,18,26H,6-8H2,1H3,(H4-,21,22,23,27,28,29,30)/t12-,14-,15-,18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description Dual histidine and Avi tagged human EIF4E (His6-3C-avi-eIF4E) was expressed in 8 L of TB Media. Induction by 0.4 mM IPTG occurred at 2.0 OD600, and c...				US Patent US10676499 (2020) BindingDB Entry DOI: 10.7270/Q2K64N44
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 4E (Homo sapiens (Human))	BDBM451156 (US10676499, Example 53) Show SMILES COc1cc(ccc1C[n+]1cn([C@H]2O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]2O)c2nc(N)nc([O-])c12)-c1ccccc1 |r| Show InChI InChI=1S/C24H26N5O9P/c1-36-16-9-14(13-5-3-2-4-6-13)7-8-15(16)10-28-12-29(21-18(28)22(32)27-24(25)26-21)23-20(31)19(30)17(38-23)11-37-39(33,34)35/h2-9,12,17,19-20,23,30-31H,10-11H2,1H3,(H4-,25,26,27,32,33,34,35)/t17-,19-,20-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description Dual histidine and Avi tagged human EIF4E (His6-3C-avi-eIF4E) was expressed in 8 L of TB Media. Induction by 0.4 mM IPTG occurred at 2.0 OD600, and c...				US Patent US10676499 (2020) BindingDB Entry DOI: 10.7270/Q2K64N44
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50113399 (4-[2-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-phenyl-...) Show SMILES COc1ccc(cc1OC1CCCC1)C(Cc1ccc(N)cc1)c1ccccc1 Show InChI InChI=1S/C26H29NO2/c1-28-25-16-13-21(18-26(25)29-23-9-5-6-10-23)24(20-7-3-2-4-8-20)17-19-11-14-22(27)15-12-19/h2-4,7-8,11-16,18,23-24H,5-6,9-10,17,27H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	423	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant phosphodiesterase 4A				Bioorg Med Chem Lett 12: 1451-6 (2002) BindingDB Entry DOI: 10.7270/Q22J6B5D
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM249466 (US10072016, Compound 65 | US10407433, Compound 65 ...) Show SMILES Fc1cccc(C2CCN(CC2)C(=O)c2nnc3ccc(cn23)C#N)c1C(F)(F)F Show InChI InChI=1S/C20H15F4N5O/c21-15-3-1-2-14(17(15)20(22,23)24)13-6-8-28(9-7-13)19(30)18-27-26-16-5-4-12(10-25)11-29(16)18/h1-5,11,13H,6-9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Albany College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Time dependent inhibition of CYP2D6 in human liver microsomes assessed as equilibrium inhibition binding constant in presence of NADPH by LC-MS/MS an...				J Med Chem 62: 5470-5500 (2019) Article DOI: 10.1021/acs.jmedchem.9b00352 BindingDB Entry DOI: 10.7270/Q290272Z
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 4E (Homo sapiens (Human))	BDBM451160 (US10676499, Example 58) Show SMILES Nc1nc([O-])c2[n+](Cc3ccc(cc3)-c3ccccc3F)cn([C@H]3O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]3O)c2n1 |r| Show InChI InChI=1S/C23H23FN5O8P/c24-15-4-2-1-3-14(15)13-7-5-12(6-8-13)9-28-11-29(20-17(28)21(32)27-23(25)26-20)22-19(31)18(30)16(37-22)10-36-38(33,34)35/h1-8,11,16,18-19,22,30-31H,9-10H2,(H4-,25,26,27,32,33,34,35)/t16-,18-,19-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description Dual histidine and Avi tagged human EIF4E (His6-3C-avi-eIF4E) was expressed in 8 L of TB Media. Induction by 0.4 mM IPTG occurred at 2.0 OD600, and c...				US Patent US10676499 (2020) BindingDB Entry DOI: 10.7270/Q2K64N44
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50113373 (2-Cyclopentyloxy-4-(1,2-diphenyl-ethyl)-1-methoxy-...) Show SMILES COc1ccc(cc1OC1CCCC1)C(Cc1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H28O2/c1-27-25-17-16-22(19-26(25)28-23-14-8-9-15-23)24(21-12-6-3-7-13-21)18-20-10-4-2-5-11-20/h2-7,10-13,16-17,19,23-24H,8-9,14-15,18H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant phosphodiesterase 4A				Bioorg Med Chem Lett 12: 1451-6 (2002) BindingDB Entry DOI: 10.7270/Q22J6B5D
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 4E (Homo sapiens (Human))	BDBM451151 (US10676499, Example 40) Show SMILES COC(=O)c1sccc1NC(=O)c1cccc(C[n+]2cn([C@H]3O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]3O)c3nc(N)nc([O-])c23)c1 |r| Show InChI InChI=1S/C24H25N6O11PS/c1-39-23(35)18-13(5-6-43-18)26-20(33)12-4-2-3-11(7-12)8-29-10-30(19-15(29)21(34)28-24(25)27-19)22-17(32)16(31)14(41-22)9-40-42(36,37)38/h2-7,10,14,16-17,22,31-32H,8-9H2,1H3,(H5-,25,26,27,28,33,34,35,36,37,38)/t14-,16-,17-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description Dual histidine and Avi tagged human EIF4E (His6-3C-avi-eIF4E) was expressed in 8 L of TB Media. Induction by 0.4 mM IPTG occurred at 2.0 OD600, and c...				US Patent US10676499 (2020) BindingDB Entry DOI: 10.7270/Q2K64N44
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 4E (Homo sapiens (Human))	BDBM451157 (US10676499, Example 54) Show SMILES Nc1nc([O-])c2[n+](Cc3ccc(cc3F)-c3ccccc3)cn([C@H]3O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]3O)c2n1 |r| Show InChI InChI=1S/C23H23FN5O8P/c24-15-8-13(12-4-2-1-3-5-12)6-7-14(15)9-28-11-29(20-17(28)21(32)27-23(25)26-20)22-19(31)18(30)16(37-22)10-36-38(33,34)35/h1-8,11,16,18-19,22,30-31H,9-10H2,(H4-,25,26,27,32,33,34,35)/t16-,18-,19-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description Dual histidine and Avi tagged human EIF4E (His6-3C-avi-eIF4E) was expressed in 8 L of TB Media. Induction by 0.4 mM IPTG occurred at 2.0 OD600, and c...				US Patent US10676499 (2020) BindingDB Entry DOI: 10.7270/Q2K64N44
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50501900 (CHEMBL4463039) Show SMILES FC(F)(F)c1ccccc1C1CCN(CC1)C(=O)c1nnc2ccc(cn12)C#N Show InChI InChI=1S/C20H16F3N5O/c21-20(22,23)16-4-2-1-3-15(16)14-7-9-27(10-8-14)19(29)18-26-25-17-6-5-13(11-24)12-28(17)18/h1-6,12,14H,7-10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Albany College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Time dependent inhibition of CYP2D6 in human liver microsomes assessed as equilibrium inhibition binding constant in presence of NADPH by LC-MS/MS an...				J Med Chem 62: 5470-5500 (2019) Article DOI: 10.1021/acs.jmedchem.9b00352 BindingDB Entry DOI: 10.7270/Q290272Z
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 4E (Homo sapiens (Human))	BDBM451154 (US10676499, Example 43) Show SMILES Nc1nc([O-])c2[n+](Cc3cccc(OCc4ccccc4)c3)cn([C@H]3O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]3O)c2n1 |r| Show InChI InChI=1S/C24H26N5O9P/c25-24-26-21-18(22(32)27-24)28(10-15-7-4-8-16(9-15)36-11-14-5-2-1-3-6-14)13-29(21)23-20(31)19(30)17(38-23)12-37-39(33,34)35/h1-9,13,17,19-20,23,30-31H,10-12H2,(H4-,25,26,27,32,33,34,35)/t17-,19-,20-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.17E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description Dual histidine and Avi tagged human EIF4E (His6-3C-avi-eIF4E) was expressed in 8 L of TB Media. Induction by 0.4 mM IPTG occurred at 2.0 OD600, and c...				US Patent US10676499 (2020) BindingDB Entry DOI: 10.7270/Q2K64N44
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 4E (Homo sapiens (Human))	BDBM451153 (US10676499, Example 42) Show SMILES COC(=O)c1ccsc1NC(=O)c1cccc(C[n+]2cn([C@H]3O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]3O)c3nc(N)nc([O-])c23)c1 |r| Show InChI InChI=1S/C24H25N6O11PS/c1-39-23(35)13-5-6-43-21(13)27-19(33)12-4-2-3-11(7-12)8-29-10-30(18-15(29)20(34)28-24(25)26-18)22-17(32)16(31)14(41-22)9-40-42(36,37)38/h2-7,10,14,16-17,22,31-32H,8-9H2,1H3,(H5-,25,26,27,28,33,34,35,36,37,38)/t14-,16-,17-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description Dual histidine and Avi tagged human EIF4E (His6-3C-avi-eIF4E) was expressed in 8 L of TB Media. Induction by 0.4 mM IPTG occurred at 2.0 OD600, and c...				US Patent US10676499 (2020) BindingDB Entry DOI: 10.7270/Q2K64N44
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50113366 (4-[2-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-phenyl-...) Show SMILES COc1ccc(cc1OC1CCCC1)C(CC1CCNCC1)c1ccccc1 Show InChI InChI=1S/C25H33NO2/c1-27-24-12-11-21(18-25(24)28-22-9-5-6-10-22)23(20-7-3-2-4-8-20)17-19-13-15-26-16-14-19/h2-4,7-8,11-12,18-19,22-23,26H,5-6,9-10,13-17H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant phosphodiesterase 4A				Bioorg Med Chem Lett 12: 1451-6 (2002) BindingDB Entry DOI: 10.7270/Q22J6B5D
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 4E (Homo sapiens (Human))	BDBM451152 (US10676499, Example 41) Show SMILES Nc1nc([O-])c2[n+](Cc3cccc(c3)C(=O)Oc3c(Cl)cccc3Cl)cn([C@H]3O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]3O)c2n1 |r| Show InChI InChI=1S/C24H22Cl2N5O10P/c25-13-5-2-6-14(26)19(13)41-23(35)12-4-1-3-11(7-12)8-30-10-31(20-16(30)21(34)29-24(27)28-20)22-18(33)17(32)15(40-22)9-39-42(36,37)38/h1-7,10,15,17-18,22,32-33H,8-9H2,(H4-,27,28,29,34,36,37,38)/t15-,17-,18-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.82E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description Dual histidine and Avi tagged human EIF4E (His6-3C-avi-eIF4E) was expressed in 8 L of TB Media. Induction by 0.4 mM IPTG occurred at 2.0 OD600, and c...				US Patent US10676499 (2020) BindingDB Entry DOI: 10.7270/Q2K64N44
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 4E (Homo sapiens (Human))	BDBM451149 (US10676499, Example 32) Show SMILES Nc1nc([O-])c2[n+](Cc3ccccc3CS(=O)(=O)c3ccccc3)cn([C@H]3O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]3O)c2n1 |r| Show InChI InChI=1S/C24H26N5O10PS/c25-24-26-21-18(22(32)27-24)28(13-29(21)23-20(31)19(30)17(39-23)11-38-40(33,34)35)10-14-6-4-5-7-15(14)12-41(36,37)16-8-2-1-3-9-16/h1-9,13,17,19-20,23,30-31H,10-12H2,(H4-,25,26,27,32,33,34,35)/t17-,19-,20-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9.36E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description Dual histidine and Avi tagged human EIF4E (His6-3C-avi-eIF4E) was expressed in 8 L of TB Media. Induction by 0.4 mM IPTG occurred at 2.0 OD600, and c...				US Patent US10676499 (2020) BindingDB Entry DOI: 10.7270/Q2K64N44
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 (Homo sapiens (Human))	BDBM50378304 (CHEMBL568080) Show SMILES CC(C)n1cnc2c(NCc3ccc(nc3)-c3ccsc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(.11,-31.85,;1.13,-30.7,;2.64,-31.01,;.64,-29.24,;1.53,-27.99,;.62,-26.75,;-.84,-27.24,;-2.17,-26.48,;-2.18,-24.94,;-3.52,-24.18,;-4.85,-24.96,;-6.18,-24.19,;-7.51,-24.97,;-7.5,-26.51,;-6.15,-27.27,;-4.83,-26.49,;-8.83,-27.29,;-8.98,-28.83,;-10.49,-29.16,;-11.27,-27.83,;-10.24,-26.68,;-3.5,-27.26,;-3.5,-28.8,;-4.83,-29.57,;-4.82,-31.11,;-3.49,-31.87,;-3.49,-33.42,;-4.82,-34.19,;-4.82,-35.73,;-6.16,-33.42,;-6.16,-31.89,;-2.16,-29.56,;-.83,-28.78,)| Show InChI InChI=1S/C24H30N8S/c1-15(2)32-14-28-21-22(27-12-16-3-8-20(26-11-16)17-9-10-33-13-17)30-24(31-23(21)32)29-19-6-4-18(25)5-7-19/h3,8-11,13-15,18-19H,4-7,12,25H2,1-2H3,(H2,27,29,30,31)/t18-,19-	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.0300	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of Cdk2/cyclinE				Bioorg Med Chem Lett 19: 6613-7 (2009) Article DOI: 10.1016/j.bmcl.2009.10.011 BindingDB Entry DOI: 10.7270/Q2M32WPQ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 (Homo sapiens (Human))	BDBM50378288 (CHEMBL567434) Show SMILES CC(C)n1cnc2c(NCc3ccc(nc3)-c3ccccn3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(14.81,-30.86,;15.83,-29.71,;17.34,-30.01,;15.34,-28.25,;16.23,-27,;15.32,-25.76,;13.86,-26.25,;12.53,-25.49,;12.52,-23.95,;11.18,-23.19,;9.85,-23.96,;8.52,-23.2,;7.19,-23.98,;7.2,-25.52,;8.55,-26.28,;9.87,-25.5,;5.88,-26.3,;5.89,-27.83,;4.57,-28.61,;3.22,-27.85,;3.21,-26.31,;4.54,-25.53,;11.2,-26.26,;11.2,-27.8,;9.87,-28.58,;9.88,-30.12,;11.21,-30.88,;11.21,-32.43,;9.88,-33.2,;9.88,-34.74,;8.54,-32.43,;8.54,-30.89,;12.54,-28.57,;13.88,-27.78,)| Show InChI InChI=1S/C25H31N9/c1-16(2)34-15-30-22-23(32-25(33-24(22)34)31-19-9-7-18(26)8-10-19)29-14-17-6-11-21(28-13-17)20-5-3-4-12-27-20/h3-6,11-13,15-16,18-19H,7-10,14,26H2,1-2H3,(H2,29,31,32,33)/t18-,19-	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of Cdk2/cyclinE				Bioorg Med Chem Lett 19: 6613-7 (2009) Article DOI: 10.1016/j.bmcl.2009.10.011 BindingDB Entry DOI: 10.7270/Q2M32WPQ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 (Homo sapiens (Human))	BDBM50378290 (CHEMBL568310) Show SMILES CC(C)n1cnc2c(NCc3ccc(nc3)-c3cccc(F)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:26.27,wD:29.31,(29.87,-.79,;30.89,.36,;32.4,.06,;30.4,1.83,;31.3,3.08,;30.38,4.31,;28.93,3.82,;27.59,4.58,;27.59,6.12,;26.25,6.88,;24.92,6.11,;24.92,4.56,;23.59,3.79,;22.26,4.56,;22.25,6.09,;23.57,6.87,;20.93,3.78,;20.94,2.25,;19.61,1.47,;18.27,2.23,;18.26,3.78,;16.92,4.54,;19.59,4.55,;26.26,3.81,;26.27,2.27,;24.94,1.49,;24.95,-.05,;26.28,-.81,;26.28,-2.35,;24.94,-3.13,;24.94,-4.67,;23.61,-2.36,;23.61,-.82,;27.61,1.5,;28.94,2.29,)| Show InChI InChI=1S/C26H31FN8/c1-16(2)35-15-31-23-24(33-26(34-25(23)35)32-21-9-7-20(28)8-10-21)30-14-17-6-11-22(29-13-17)18-4-3-5-19(27)12-18/h3-6,11-13,15-16,20-21H,7-10,14,28H2,1-2H3,(H2,30,32,33,34)/t20-,21-	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of Cdk2/cyclinE				Bioorg Med Chem Lett 19: 6613-7 (2009) Article DOI: 10.1016/j.bmcl.2009.10.011 BindingDB Entry DOI: 10.7270/Q2M32WPQ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 (Homo sapiens (Human))	BDBM50378291 (CHEMBL568302) Show SMILES CC(C)n1cnc2c(NCc3ccc(s3)-c3ccccn3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(16.31,-45.59,;17.34,-44.44,;18.84,-44.74,;16.85,-42.97,;17.74,-41.72,;16.83,-40.49,;15.37,-40.98,;14.04,-40.22,;14.03,-38.68,;12.69,-37.92,;11.36,-38.69,;11.2,-40.23,;9.7,-40.56,;8.92,-39.23,;9.95,-38.08,;7.38,-39.23,;6.62,-37.9,;5.08,-37.9,;4.31,-39.23,;5.09,-40.57,;6.63,-40.56,;12.7,-40.99,;12.71,-42.53,;11.38,-43.31,;11.39,-44.85,;12.72,-45.61,;12.72,-47.15,;11.39,-47.93,;11.39,-49.47,;10.05,-47.16,;10.05,-45.62,;14.05,-43.3,;15.38,-42.51,)| Show InChI InChI=1S/C24H30N8S/c1-15(2)32-14-28-21-22(27-13-18-10-11-20(33-18)19-5-3-4-12-26-19)30-24(31-23(21)32)29-17-8-6-16(25)7-9-17/h3-5,10-12,14-17H,6-9,13,25H2,1-2H3,(H2,27,29,30,31)/t16-,17-	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of Cdk2/cyclinE				Bioorg Med Chem Lett 19: 6613-7 (2009) Article DOI: 10.1016/j.bmcl.2009.10.011 BindingDB Entry DOI: 10.7270/Q2M32WPQ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 (Homo sapiens (Human))	BDBM50378305 (CHEMBL583417) Show SMILES CC(C)n1cnc2c(NCc3ccc(s3)-c3nc(C)cs3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(1.97,-46.51,;2.99,-45.36,;4.49,-45.66,;2.5,-43.9,;3.39,-42.65,;2.48,-41.41,;1.02,-41.9,;-.31,-41.14,;-.32,-39.6,;-1.66,-38.84,;-2.99,-39.61,;-3.15,-41.15,;-4.65,-41.48,;-5.43,-40.15,;-4.4,-39,;-6.97,-40.15,;-7.87,-38.91,;-9.34,-39.39,;-10.58,-38.49,;-9.33,-40.93,;-7.87,-41.4,;-1.65,-41.91,;-1.64,-43.45,;-2.97,-44.23,;-2.96,-45.77,;-1.63,-46.53,;-1.63,-48.08,;-2.96,-48.85,;-2.96,-50.39,;-4.3,-48.08,;-4.3,-46.54,;-.3,-44.22,;1.03,-43.43,)| Show InChI InChI=1S/C23H30N8S2/c1-13(2)31-12-26-19-20(25-10-17-8-9-18(33-17)22-27-14(3)11-32-22)29-23(30-21(19)31)28-16-6-4-15(24)5-7-16/h8-9,11-13,15-16H,4-7,10,24H2,1-3H3,(H2,25,28,29,30)/t15-,16-	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.0400	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of Cdk2/cyclinE				Bioorg Med Chem Lett 19: 6613-7 (2009) Article DOI: 10.1016/j.bmcl.2009.10.011 BindingDB Entry DOI: 10.7270/Q2M32WPQ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 (Homo sapiens (Human))	BDBM50378319 (CHEMBL568303) Show SMILES CC(C)n1cnc2c(NCc3ccc(nc3)-c3cccs3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(30.87,-45.55,;31.89,-44.4,;33.4,-44.7,;31.4,-42.94,;32.29,-41.69,;31.38,-40.45,;29.92,-40.94,;28.59,-40.18,;28.58,-38.64,;27.24,-37.88,;25.91,-38.65,;24.58,-37.89,;23.25,-38.67,;23.26,-40.21,;24.61,-40.97,;25.93,-40.19,;21.93,-40.99,;21.78,-42.52,;20.27,-42.85,;19.49,-41.52,;20.52,-40.37,;27.26,-40.96,;27.26,-42.49,;25.93,-43.27,;25.94,-44.81,;27.27,-45.57,;27.27,-47.12,;25.94,-47.89,;25.94,-49.43,;24.6,-47.12,;24.6,-45.58,;28.6,-43.26,;29.94,-42.47,)| Show InChI InChI=1S/C24H30N8S/c1-15(2)32-14-28-21-22(27-13-16-5-10-19(26-12-16)20-4-3-11-33-20)30-24(31-23(21)32)29-18-8-6-17(25)7-9-18/h3-5,10-12,14-15,17-18H,6-9,13,25H2,1-2H3,(H2,27,29,30,31)/t17-,18-	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.0400	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of Cdk2/cyclinE				Bioorg Med Chem Lett 19: 6613-7 (2009) Article DOI: 10.1016/j.bmcl.2009.10.011 BindingDB Entry DOI: 10.7270/Q2M32WPQ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 (Homo sapiens (Human))	BDBM50378289 (CHEMBL565705) Show SMILES CC(C)n1cnc2c(NCc3ccc(nc3)-c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(1.05,-1.82,;2.08,-.67,;3.58,-.98,;1.59,.79,;2.48,2.04,;1.57,3.28,;.11,2.79,;-1.22,3.55,;-1.23,5.09,;-2.57,5.85,;-3.9,5.07,;-3.89,3.53,;-5.22,2.76,;-6.56,3.53,;-6.57,5.06,;-5.24,5.84,;-7.89,2.75,;-9.23,3.52,;-10.56,2.74,;-10.55,1.2,;-9.2,.44,;-7.88,1.21,;-2.56,2.77,;-2.55,1.23,;-3.88,.46,;-3.87,-1.08,;-2.54,-1.84,;-2.54,-3.39,;-3.87,-4.16,;-3.87,-5.7,;-5.21,-3.39,;-5.21,-1.86,;-1.21,.47,;.12,1.25,)| Show InChI InChI=1S/C26H32N8/c1-17(2)34-16-30-23-24(32-26(33-25(23)34)31-21-11-9-20(27)10-12-21)29-15-18-8-13-22(28-14-18)19-6-4-3-5-7-19/h3-8,13-14,16-17,20-21H,9-12,15,27H2,1-2H3,(H2,29,31,32,33)/t20-,21-	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of Cdk2/cyclinE				Bioorg Med Chem Lett 19: 6613-7 (2009) Article DOI: 10.1016/j.bmcl.2009.10.011 BindingDB Entry DOI: 10.7270/Q2M32WPQ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 (Homo sapiens (Human))	BDBM50003691 (CHEMBL567624) Show SMILES Cl.CC(C)n1cnc2c(NCc3cnc(s3)-c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.25,wD:28.29,(.89,-6.67,;1.17,-16.84,;2.19,-15.69,;3.7,-16,;1.7,-14.23,;2.6,-12.98,;1.68,-11.74,;.23,-12.23,;-1.11,-11.47,;-1.11,-9.93,;-2.45,-9.17,;-3.78,-9.95,;-3.94,-11.49,;-5.44,-11.81,;-6.22,-10.48,;-5.2,-9.33,;-7.76,-10.49,;-8.53,-9.15,;-10.07,-9.15,;-10.83,-10.49,;-10.05,-11.83,;-8.52,-11.82,;-2.44,-12.25,;-2.43,-13.79,;-3.76,-14.56,;-3.75,-16.1,;-2.42,-16.86,;-2.42,-18.41,;-3.76,-19.18,;-3.76,-20.72,;-5.09,-18.41,;-5.09,-16.88,;-1.09,-14.55,;.24,-13.77,)| Show InChI InChI=1S/C24H30N8S.ClH/c1-15(2)32-14-28-20-21(26-12-19-13-27-23(33-19)16-6-4-3-5-7-16)30-24(31-22(20)32)29-18-10-8-17(25)9-11-18;/h3-7,13-15,17-18H,8-12,25H2,1-2H3,(H2,26,29,30,31);1H/t17-,18-;	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.0500	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of Cdk2/cyclinE				Bioorg Med Chem Lett 19: 6613-7 (2009) Article DOI: 10.1016/j.bmcl.2009.10.011 BindingDB Entry DOI: 10.7270/Q2M32WPQ
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50003691 (CHEMBL567624) Show SMILES Cl.CC(C)n1cnc2c(NCc3cnc(s3)-c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.25,wD:28.29,(.89,-6.67,;1.17,-16.84,;2.19,-15.69,;3.7,-16,;1.7,-14.23,;2.6,-12.98,;1.68,-11.74,;.23,-12.23,;-1.11,-11.47,;-1.11,-9.93,;-2.45,-9.17,;-3.78,-9.95,;-3.94,-11.49,;-5.44,-11.81,;-6.22,-10.48,;-5.2,-9.33,;-7.76,-10.49,;-8.53,-9.15,;-10.07,-9.15,;-10.83,-10.49,;-10.05,-11.83,;-8.52,-11.82,;-2.44,-12.25,;-2.43,-13.79,;-3.76,-14.56,;-3.75,-16.1,;-2.42,-16.86,;-2.42,-18.41,;-3.76,-19.18,;-3.76,-20.72,;-5.09,-18.41,;-5.09,-16.88,;-1.09,-14.55,;.24,-13.77,)| Show InChI InChI=1S/C24H30N8S.ClH/c1-15(2)32-14-28-20-21(26-12-19-13-27-23(33-19)16-6-4-3-5-7-16)30-24(31-22(20)32)29-18-10-8-17(25)9-11-18;/h3-7,13-15,17-18H,8-12,25H2,1-2H3,(H2,26,29,30,31);1H/t17-,18-;	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.0500	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of recombinant Cdk2/cyclinA				Bioorg Med Chem Lett 19: 6613-7 (2009) Article DOI: 10.1016/j.bmcl.2009.10.011 BindingDB Entry DOI: 10.7270/Q2M32WPQ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 (Homo sapiens (Human))	BDBM50378292 (CHEMBL566106) Show SMILES CC(C)n1cnc2c(NCc3ccc(nc3)-n3cccn3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(46.25,-43.57,;47.27,-42.41,;48.78,-42.72,;46.78,-40.95,;47.68,-39.7,;46.76,-38.47,;45.31,-38.95,;43.97,-38.2,;43.97,-36.66,;42.63,-35.89,;41.3,-36.67,;39.97,-35.91,;38.64,-36.68,;38.65,-38.22,;39.99,-38.99,;41.32,-38.21,;37.31,-39.01,;35.9,-38.39,;34.88,-39.54,;35.66,-40.87,;37.16,-40.54,;42.64,-38.97,;42.65,-40.51,;41.32,-41.29,;41.33,-42.83,;42.66,-43.59,;42.66,-45.13,;41.32,-45.91,;41.32,-47.45,;39.99,-45.13,;39.99,-43.6,;43.99,-41.28,;45.32,-40.49,)| Show InChI InChI=1S/C23H30N10/c1-15(2)32-14-27-20-21(26-13-16-4-9-19(25-12-16)33-11-3-10-28-33)30-23(31-22(20)32)29-18-7-5-17(24)6-8-18/h3-4,9-12,14-15,17-18H,5-8,13,24H2,1-2H3,(H2,26,29,30,31)/t17-,18-	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of Cdk2/cyclinE				Bioorg Med Chem Lett 19: 6613-7 (2009) Article DOI: 10.1016/j.bmcl.2009.10.011 BindingDB Entry DOI: 10.7270/Q2M32WPQ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 (Homo sapiens (Human))	BDBM50378293 (CHEMBL566550) Show SMILES CC(C)n1cnc2c(NCc3ccc(s3)-c3cccs3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:23.24,wD:26.28,(29.82,-30.94,;30.84,-29.79,;32.35,-30.1,;30.35,-28.33,;31.24,-27.08,;30.33,-25.84,;28.87,-26.33,;27.54,-25.57,;27.53,-24.03,;26.19,-23.27,;24.86,-24.05,;24.71,-25.59,;23.2,-25.91,;22.43,-24.58,;23.45,-23.43,;20.89,-24.59,;19.98,-25.84,;18.52,-25.36,;18.52,-23.82,;19.98,-23.35,;26.21,-26.35,;26.21,-27.89,;24.88,-28.66,;24.89,-30.2,;26.22,-30.96,;26.22,-32.51,;24.89,-33.28,;24.89,-34.82,;23.55,-32.51,;23.55,-30.98,;27.55,-28.65,;28.89,-27.87,)| Show InChI InChI=1S/C23H29N7S2/c1-14(2)30-13-26-20-21(25-12-17-9-10-19(32-17)18-4-3-11-31-18)28-23(29-22(20)30)27-16-7-5-15(24)6-8-16/h3-4,9-11,13-16H,5-8,12,24H2,1-2H3,(H2,25,27,28,29)/t15-,16-	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of Cdk2/cyclinE				Bioorg Med Chem Lett 19: 6613-7 (2009) Article DOI: 10.1016/j.bmcl.2009.10.011 BindingDB Entry DOI: 10.7270/Q2M32WPQ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 (Homo sapiens (Human))	BDBM50378294 (CHEMBL566972) Show SMILES CC(C)n1cnc2c(NCc3ccc(cc3)-c3cccnc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(.84,-15.51,;1.87,-14.36,;3.37,-14.67,;1.38,-12.9,;2.27,-11.65,;1.36,-10.41,;-.1,-10.9,;-1.43,-10.14,;-1.44,-8.6,;-2.78,-7.84,;-4.11,-8.62,;-4.1,-10.16,;-5.43,-10.93,;-6.77,-10.16,;-6.78,-8.63,;-5.45,-7.85,;-8.1,-10.94,;-8.09,-12.49,;-9.43,-13.26,;-10.76,-12.49,;-10.76,-10.94,;-9.43,-10.17,;-2.77,-10.92,;-2.76,-12.46,;-4.09,-13.23,;-4.08,-14.77,;-2.75,-15.53,;-2.75,-17.08,;-4.08,-17.85,;-4.08,-19.39,;-5.42,-17.08,;-5.42,-15.55,;-1.42,-13.22,;-.09,-12.44,)| Show InChI InChI=1S/C26H32N8/c1-17(2)34-16-30-23-24(32-26(33-25(23)34)31-22-11-9-21(27)10-12-22)29-14-18-5-7-19(8-6-18)20-4-3-13-28-15-20/h3-8,13,15-17,21-22H,9-12,14,27H2,1-2H3,(H2,29,31,32,33)/t21-,22-	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of Cdk2/cyclinE				Bioorg Med Chem Lett 19: 6613-7 (2009) Article DOI: 10.1016/j.bmcl.2009.10.011 BindingDB Entry DOI: 10.7270/Q2M32WPQ
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50378292 (CHEMBL566106) Show SMILES CC(C)n1cnc2c(NCc3ccc(nc3)-n3cccn3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(46.25,-43.57,;47.27,-42.41,;48.78,-42.72,;46.78,-40.95,;47.68,-39.7,;46.76,-38.47,;45.31,-38.95,;43.97,-38.2,;43.97,-36.66,;42.63,-35.89,;41.3,-36.67,;39.97,-35.91,;38.64,-36.68,;38.65,-38.22,;39.99,-38.99,;41.32,-38.21,;37.31,-39.01,;35.9,-38.39,;34.88,-39.54,;35.66,-40.87,;37.16,-40.54,;42.64,-38.97,;42.65,-40.51,;41.32,-41.29,;41.33,-42.83,;42.66,-43.59,;42.66,-45.13,;41.32,-45.91,;41.32,-47.45,;39.99,-45.13,;39.99,-43.6,;43.99,-41.28,;45.32,-40.49,)| Show InChI InChI=1S/C23H30N10/c1-15(2)32-14-27-20-21(26-13-16-4-9-19(25-12-16)33-11-3-10-28-33)30-23(31-22(20)32)29-18-7-5-17(24)6-8-18/h3-4,9-12,14-15,17-18H,5-8,13,24H2,1-2H3,(H2,26,29,30,31)/t17-,18-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of recombinant Cdk2/cyclinA				Bioorg Med Chem Lett 19: 6613-7 (2009) Article DOI: 10.1016/j.bmcl.2009.10.011 BindingDB Entry DOI: 10.7270/Q2M32WPQ
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50378290 (CHEMBL568310) Show SMILES CC(C)n1cnc2c(NCc3ccc(nc3)-c3cccc(F)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:26.27,wD:29.31,(29.87,-.79,;30.89,.36,;32.4,.06,;30.4,1.83,;31.3,3.08,;30.38,4.31,;28.93,3.82,;27.59,4.58,;27.59,6.12,;26.25,6.88,;24.92,6.11,;24.92,4.56,;23.59,3.79,;22.26,4.56,;22.25,6.09,;23.57,6.87,;20.93,3.78,;20.94,2.25,;19.61,1.47,;18.27,2.23,;18.26,3.78,;16.92,4.54,;19.59,4.55,;26.26,3.81,;26.27,2.27,;24.94,1.49,;24.95,-.05,;26.28,-.81,;26.28,-2.35,;24.94,-3.13,;24.94,-4.67,;23.61,-2.36,;23.61,-.82,;27.61,1.5,;28.94,2.29,)| Show InChI InChI=1S/C26H31FN8/c1-16(2)35-15-31-23-24(33-26(34-25(23)35)32-21-9-7-20(28)8-10-21)30-14-17-6-11-22(29-13-17)18-4-3-5-19(27)12-18/h3-6,11-13,15-16,20-21H,7-10,14,28H2,1-2H3,(H2,30,32,33,34)/t20-,21-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of recombinant Cdk2/cyclinA				Bioorg Med Chem Lett 19: 6613-7 (2009) Article DOI: 10.1016/j.bmcl.2009.10.011 BindingDB Entry DOI: 10.7270/Q2M32WPQ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 (Homo sapiens (Human))	BDBM50378295 (CHEMBL565490) Show SMILES CC(C)n1cnc2c(NCc3ccc(s3)-c3ccccc3F)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(16.24,-30.97,;17.26,-29.82,;18.77,-30.13,;16.77,-28.36,;17.66,-27.11,;16.75,-25.88,;15.29,-26.36,;13.96,-25.61,;13.95,-24.07,;12.61,-23.3,;11.28,-24.08,;11.13,-25.62,;9.62,-25.95,;8.85,-24.62,;9.87,-23.47,;7.31,-24.62,;6.54,-25.95,;5.01,-25.96,;4.24,-24.62,;5,-23.29,;6.53,-23.29,;7.3,-21.95,;12.63,-26.38,;12.63,-27.92,;11.3,-28.69,;11.31,-30.23,;12.64,-30.99,;12.64,-32.54,;11.31,-33.31,;11.31,-34.85,;9.97,-32.54,;9.97,-31.01,;13.97,-28.68,;15.31,-27.9,)| Show InChI InChI=1S/C25H30FN7S/c1-15(2)33-14-29-22-23(31-25(32-24(22)33)30-17-9-7-16(27)8-10-17)28-13-18-11-12-21(34-18)19-5-3-4-6-20(19)26/h3-6,11-12,14-17H,7-10,13,27H2,1-2H3,(H2,28,30,31,32)/t16-,17-	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of Cdk2/cyclinE				Bioorg Med Chem Lett 19: 6613-7 (2009) Article DOI: 10.1016/j.bmcl.2009.10.011 BindingDB Entry DOI: 10.7270/Q2M32WPQ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 (Homo sapiens (Human))	BDBM50378296 (CHEMBL568510) Show SMILES CC(C)n1cnc2c(NCc3csc(c3)-c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(28.27,-15.16,;29.29,-14.01,;30.8,-14.32,;28.8,-12.55,;29.7,-11.3,;28.78,-10.06,;27.33,-10.55,;25.99,-9.79,;25.99,-8.25,;24.65,-7.49,;23.32,-8.27,;21.91,-7.66,;20.89,-8.81,;21.66,-10.14,;23.17,-9.81,;20.91,-11.47,;19.37,-11.49,;18.62,-12.83,;19.4,-14.16,;20.95,-14.13,;21.7,-12.79,;24.66,-10.57,;24.67,-12.11,;23.34,-12.88,;23.34,-14.42,;24.68,-15.18,;24.68,-16.73,;23.34,-17.5,;23.34,-19.04,;22.01,-16.73,;22,-15.2,;26.01,-12.87,;27.34,-12.09,)| Show InChI InChI=1S/C25H31N7S/c1-16(2)32-15-28-22-23(27-13-17-12-21(33-14-17)18-6-4-3-5-7-18)30-25(31-24(22)32)29-20-10-8-19(26)9-11-20/h3-7,12,14-16,19-20H,8-11,13,26H2,1-2H3,(H2,27,29,30,31)/t19-,20-	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of Cdk2/cyclinE				Bioorg Med Chem Lett 19: 6613-7 (2009) Article DOI: 10.1016/j.bmcl.2009.10.011 BindingDB Entry DOI: 10.7270/Q2M32WPQ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 (Homo sapiens (Human))	BDBM50378297 (CHEMBL566105) Show SMILES CC(C)n1cnc2c(NCc3ccc(cc3)-c3cccs3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(15.61,-15.74,;16.64,-14.59,;18.14,-14.9,;16.15,-13.13,;17.04,-11.88,;16.13,-10.65,;14.67,-11.13,;13.34,-10.38,;13.33,-8.84,;11.99,-8.07,;10.66,-8.85,;10.67,-10.39,;9.34,-11.17,;8,-10.4,;7.99,-8.86,;9.32,-8.09,;6.67,-11.18,;6.52,-12.71,;5.01,-13.04,;4.24,-11.7,;5.26,-10.56,;12,-11.15,;12.01,-12.69,;10.68,-13.47,;10.69,-15.01,;12.02,-15.77,;12.02,-17.31,;10.69,-18.08,;10.69,-19.62,;9.35,-17.31,;9.35,-15.78,;13.35,-13.45,;14.68,-12.67,)| Show InChI InChI=1S/C25H31N7S/c1-16(2)32-15-28-22-23(27-14-17-5-7-18(8-6-17)21-4-3-13-33-21)30-25(31-24(22)32)29-20-11-9-19(26)10-12-20/h3-8,13,15-16,19-20H,9-12,14,26H2,1-2H3,(H2,27,29,30,31)/t19-,20-	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of Cdk2/cyclinE				Bioorg Med Chem Lett 19: 6613-7 (2009) Article DOI: 10.1016/j.bmcl.2009.10.011 BindingDB Entry DOI: 10.7270/Q2M32WPQ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 (Homo sapiens (Human))	BDBM50378298 (CHEMBL583421) Show SMILES CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccco3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(15.33,-28.96,;16.35,-27.81,;17.86,-28.11,;15.86,-26.35,;16.75,-25.1,;15.84,-23.86,;14.38,-24.35,;13.05,-23.59,;13.04,-22.05,;11.7,-21.29,;10.37,-22.06,;10.38,-23.61,;9.05,-24.38,;7.71,-23.61,;7.7,-22.08,;9.03,-21.3,;6.38,-24.39,;6.23,-25.92,;4.72,-26.25,;3.95,-24.92,;4.97,-23.77,;11.72,-24.37,;11.72,-25.9,;10.39,-26.68,;10.4,-28.22,;11.73,-28.98,;11.73,-30.53,;10.4,-31.3,;10.4,-32.84,;9.06,-30.53,;9.06,-28.99,;13.06,-26.67,;14.4,-25.88,)| Show InChI InChI=1S/C25H31N7O/c1-16(2)32-15-28-22-23(27-14-17-5-7-18(8-6-17)21-4-3-13-33-21)30-25(31-24(22)32)29-20-11-9-19(26)10-12-20/h3-8,13,15-16,19-20H,9-12,14,26H2,1-2H3,(H2,27,29,30,31)/t19-,20-	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of Cdk2/cyclinE				Bioorg Med Chem Lett 19: 6613-7 (2009) Article DOI: 10.1016/j.bmcl.2009.10.011 BindingDB Entry DOI: 10.7270/Q2M32WPQ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 (Homo sapiens (Human))	BDBM50378299 (CHEMBL568079) Show SMILES CC(C)n1cnc2c(NCc3ccc(s3)-c3cccc(F)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(30.5,-30.58,;31.52,-29.42,;33.03,-29.73,;31.03,-27.96,;31.93,-26.71,;31.01,-25.48,;29.56,-25.97,;28.22,-25.21,;28.22,-23.67,;26.88,-22.91,;25.55,-23.68,;25.39,-25.22,;23.89,-25.55,;23.11,-24.22,;24.13,-23.07,;21.57,-24.22,;20.81,-25.56,;19.28,-25.56,;18.5,-24.23,;19.26,-22.89,;18.49,-21.56,;20.8,-22.89,;26.89,-25.98,;26.9,-27.52,;25.57,-28.3,;25.58,-29.84,;26.91,-30.6,;26.91,-32.14,;25.57,-32.92,;25.57,-34.46,;24.24,-32.15,;24.24,-30.61,;28.24,-28.29,;29.57,-27.5,)| Show InChI InChI=1S/C25H30FN7S/c1-15(2)33-14-29-22-23(31-25(32-24(22)33)30-19-8-6-18(27)7-9-19)28-13-20-10-11-21(34-20)16-4-3-5-17(26)12-16/h3-5,10-12,14-15,18-19H,6-9,13,27H2,1-2H3,(H2,28,30,31,32)/t18-,19-	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of Cdk2/cyclinE				Bioorg Med Chem Lett 19: 6613-7 (2009) Article DOI: 10.1016/j.bmcl.2009.10.011 BindingDB Entry DOI: 10.7270/Q2M32WPQ
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50378288 (CHEMBL567434) Show SMILES CC(C)n1cnc2c(NCc3ccc(nc3)-c3ccccn3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(14.81,-30.86,;15.83,-29.71,;17.34,-30.01,;15.34,-28.25,;16.23,-27,;15.32,-25.76,;13.86,-26.25,;12.53,-25.49,;12.52,-23.95,;11.18,-23.19,;9.85,-23.96,;8.52,-23.2,;7.19,-23.98,;7.2,-25.52,;8.55,-26.28,;9.87,-25.5,;5.88,-26.3,;5.89,-27.83,;4.57,-28.61,;3.22,-27.85,;3.21,-26.31,;4.54,-25.53,;11.2,-26.26,;11.2,-27.8,;9.87,-28.58,;9.88,-30.12,;11.21,-30.88,;11.21,-32.43,;9.88,-33.2,;9.88,-34.74,;8.54,-32.43,;8.54,-30.89,;12.54,-28.57,;13.88,-27.78,)| Show InChI InChI=1S/C25H31N9/c1-16(2)34-15-30-22-23(32-25(33-24(22)34)31-19-9-7-18(26)8-10-19)29-14-17-6-11-21(28-13-17)20-5-3-4-12-27-20/h3-6,11-13,15-16,18-19H,7-10,14,26H2,1-2H3,(H2,29,31,32,33)/t18-,19-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of recombinant Cdk2/cyclinA				Bioorg Med Chem Lett 19: 6613-7 (2009) Article DOI: 10.1016/j.bmcl.2009.10.011 BindingDB Entry DOI: 10.7270/Q2M32WPQ
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50378297 (CHEMBL566105) Show SMILES CC(C)n1cnc2c(NCc3ccc(cc3)-c3cccs3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(15.61,-15.74,;16.64,-14.59,;18.14,-14.9,;16.15,-13.13,;17.04,-11.88,;16.13,-10.65,;14.67,-11.13,;13.34,-10.38,;13.33,-8.84,;11.99,-8.07,;10.66,-8.85,;10.67,-10.39,;9.34,-11.17,;8,-10.4,;7.99,-8.86,;9.32,-8.09,;6.67,-11.18,;6.52,-12.71,;5.01,-13.04,;4.24,-11.7,;5.26,-10.56,;12,-11.15,;12.01,-12.69,;10.68,-13.47,;10.69,-15.01,;12.02,-15.77,;12.02,-17.31,;10.69,-18.08,;10.69,-19.62,;9.35,-17.31,;9.35,-15.78,;13.35,-13.45,;14.68,-12.67,)| Show InChI InChI=1S/C25H31N7S/c1-16(2)32-15-28-22-23(27-14-17-5-7-18(8-6-17)21-4-3-13-33-21)30-25(31-24(22)32)29-20-11-9-19(26)10-12-20/h3-8,13,15-16,19-20H,9-12,14,26H2,1-2H3,(H2,27,29,30,31)/t19-,20-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of recombinant Cdk2/cyclinA				Bioorg Med Chem Lett 19: 6613-7 (2009) Article DOI: 10.1016/j.bmcl.2009.10.011 BindingDB Entry DOI: 10.7270/Q2M32WPQ
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50378289 (CHEMBL565705) Show SMILES CC(C)n1cnc2c(NCc3ccc(nc3)-c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(1.05,-1.82,;2.08,-.67,;3.58,-.98,;1.59,.79,;2.48,2.04,;1.57,3.28,;.11,2.79,;-1.22,3.55,;-1.23,5.09,;-2.57,5.85,;-3.9,5.07,;-3.89,3.53,;-5.22,2.76,;-6.56,3.53,;-6.57,5.06,;-5.24,5.84,;-7.89,2.75,;-9.23,3.52,;-10.56,2.74,;-10.55,1.2,;-9.2,.44,;-7.88,1.21,;-2.56,2.77,;-2.55,1.23,;-3.88,.46,;-3.87,-1.08,;-2.54,-1.84,;-2.54,-3.39,;-3.87,-4.16,;-3.87,-5.7,;-5.21,-3.39,;-5.21,-1.86,;-1.21,.47,;.12,1.25,)| Show InChI InChI=1S/C26H32N8/c1-17(2)34-16-30-23-24(32-26(33-25(23)34)31-21-11-9-20(27)10-12-21)29-15-18-8-13-22(28-14-18)19-6-4-3-5-7-19/h3-8,13-14,16-17,20-21H,9-12,15,27H2,1-2H3,(H2,29,31,32,33)/t20-,21-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of recombinant Cdk2/cyclinA				Bioorg Med Chem Lett 19: 6613-7 (2009) Article DOI: 10.1016/j.bmcl.2009.10.011 BindingDB Entry DOI: 10.7270/Q2M32WPQ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 (Homo sapiens (Human))	BDBM50378302 (CHEMBL583615) Show SMILES CC(C)n1cnc2c(NCc3ccc(s3)-c3ccco3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:23.24,wD:26.28,(22.14,-3.25,;23.16,-2.1,;24.67,-2.41,;22.68,-.64,;23.57,.61,;22.65,1.84,;21.2,1.36,;19.86,2.11,;19.86,3.66,;18.52,4.42,;17.19,3.64,;17.03,2.1,;15.53,1.77,;14.75,3.1,;15.77,4.25,;13.21,3.1,;12.31,1.86,;10.84,2.34,;10.84,3.88,;12.31,4.36,;18.53,1.34,;18.54,-.2,;17.21,-.97,;17.22,-2.51,;18.55,-3.28,;18.55,-4.82,;17.21,-5.59,;17.21,-7.13,;15.88,-4.82,;15.88,-3.29,;19.88,-.96,;21.21,-.18,)| Show InChI InChI=1S/C23H29N7OS/c1-14(2)30-13-26-20-21(25-12-17-9-10-19(32-17)18-4-3-11-31-18)28-23(29-22(20)30)27-16-7-5-15(24)6-8-16/h3-4,9-11,13-16H,5-8,12,24H2,1-2H3,(H2,25,27,28,29)/t15-,16-	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of Cdk2/cyclinE				Bioorg Med Chem Lett 19: 6613-7 (2009) Article DOI: 10.1016/j.bmcl.2009.10.011 BindingDB Entry DOI: 10.7270/Q2M32WPQ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 (Homo sapiens (Human))	BDBM50378301 (CHEMBL568311) Show SMILES COc1cccc(c1)-c1ccc(CNc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)C(C)C)s1 |r,wU:18.18,wD:21.22,(17.8,-37.74,;17.03,-39.08,;17.81,-40.41,;17.05,-41.74,;17.82,-43.08,;19.35,-43.07,;20.12,-41.74,;19.34,-40.4,;21.66,-41.73,;22.43,-43.06,;23.94,-42.74,;24.09,-41.2,;25.42,-40.42,;26.76,-41.18,;26.77,-42.72,;25.44,-43.5,;25.44,-45.04,;24.11,-45.81,;24.12,-47.35,;25.45,-48.11,;25.45,-49.66,;24.12,-50.43,;24.12,-51.97,;22.78,-49.66,;22.78,-48.13,;26.78,-45.8,;28.12,-45.02,;29.58,-45.48,;30.47,-44.23,;29.56,-42.99,;28.1,-43.48,;30.07,-46.94,;29.05,-48.09,;31.58,-47.25,;22.68,-40.58,)| Show InChI InChI=1S/C26H33N7OS/c1-16(2)33-15-29-23-24(31-26(32-25(23)33)30-19-9-7-18(27)8-10-19)28-14-21-11-12-22(35-21)17-5-4-6-20(13-17)34-3/h4-6,11-13,15-16,18-19H,7-10,14,27H2,1-3H3,(H2,28,30,31,32)/t18-,19-	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of Cdk2/cyclinE				Bioorg Med Chem Lett 19: 6613-7 (2009) Article DOI: 10.1016/j.bmcl.2009.10.011 BindingDB Entry DOI: 10.7270/Q2M32WPQ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 (Homo sapiens (Human))	BDBM50378303 (CHEMBL567208) Show SMILES CC(C)n1cnc2c(NCc3ccc(s3)-c3cccnc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(23.68,-16.97,;24.7,-15.81,;26.21,-16.12,;24.21,-14.35,;25.11,-13.1,;24.19,-11.87,;22.74,-12.35,;21.4,-11.6,;21.39,-10.06,;20.06,-9.29,;18.73,-10.07,;18.57,-11.61,;17.07,-11.94,;16.29,-10.61,;17.31,-9.46,;14.75,-10.61,;13.98,-11.94,;12.46,-11.95,;11.68,-10.61,;12.44,-9.28,;13.98,-9.28,;20.07,-12.37,;20.08,-13.91,;18.75,-14.69,;18.75,-16.23,;20.08,-16.99,;20.09,-18.53,;18.75,-19.31,;18.75,-20.85,;17.42,-18.53,;17.41,-17,;21.42,-14.68,;22.75,-13.89,)| Show InChI InChI=1S/C24H30N8S/c1-15(2)32-14-28-21-22(27-13-19-9-10-20(33-19)16-4-3-11-26-12-16)30-24(31-23(21)32)29-18-7-5-17(25)6-8-18/h3-4,9-12,14-15,17-18H,5-8,13,25H2,1-2H3,(H2,27,29,30,31)/t17-,18-	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of Cdk2/cyclinE				Bioorg Med Chem Lett 19: 6613-7 (2009) Article DOI: 10.1016/j.bmcl.2009.10.011 BindingDB Entry DOI: 10.7270/Q2M32WPQ
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50378304 (CHEMBL568080) Show SMILES CC(C)n1cnc2c(NCc3ccc(nc3)-c3ccsc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(.11,-31.85,;1.13,-30.7,;2.64,-31.01,;.64,-29.24,;1.53,-27.99,;.62,-26.75,;-.84,-27.24,;-2.17,-26.48,;-2.18,-24.94,;-3.52,-24.18,;-4.85,-24.96,;-6.18,-24.19,;-7.51,-24.97,;-7.5,-26.51,;-6.15,-27.27,;-4.83,-26.49,;-8.83,-27.29,;-8.98,-28.83,;-10.49,-29.16,;-11.27,-27.83,;-10.24,-26.68,;-3.5,-27.26,;-3.5,-28.8,;-4.83,-29.57,;-4.82,-31.11,;-3.49,-31.87,;-3.49,-33.42,;-4.82,-34.19,;-4.82,-35.73,;-6.16,-33.42,;-6.16,-31.89,;-2.16,-29.56,;-.83,-28.78,)| Show InChI InChI=1S/C24H30N8S/c1-15(2)32-14-28-21-22(27-12-16-3-8-20(26-11-16)17-9-10-33-13-17)30-24(31-23(21)32)29-19-6-4-18(25)5-7-19/h3,8-11,13-15,18-19H,4-7,12,25H2,1-2H3,(H2,27,29,30,31)/t18-,19-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of recombinant Cdk2/cyclinA				Bioorg Med Chem Lett 19: 6613-7 (2009) Article DOI: 10.1016/j.bmcl.2009.10.011 BindingDB Entry DOI: 10.7270/Q2M32WPQ
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50378305 (CHEMBL583417) Show SMILES CC(C)n1cnc2c(NCc3ccc(s3)-c3nc(C)cs3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(1.97,-46.51,;2.99,-45.36,;4.49,-45.66,;2.5,-43.9,;3.39,-42.65,;2.48,-41.41,;1.02,-41.9,;-.31,-41.14,;-.32,-39.6,;-1.66,-38.84,;-2.99,-39.61,;-3.15,-41.15,;-4.65,-41.48,;-5.43,-40.15,;-4.4,-39,;-6.97,-40.15,;-7.87,-38.91,;-9.34,-39.39,;-10.58,-38.49,;-9.33,-40.93,;-7.87,-41.4,;-1.65,-41.91,;-1.64,-43.45,;-2.97,-44.23,;-2.96,-45.77,;-1.63,-46.53,;-1.63,-48.08,;-2.96,-48.85,;-2.96,-50.39,;-4.3,-48.08,;-4.3,-46.54,;-.3,-44.22,;1.03,-43.43,)| Show InChI InChI=1S/C23H30N8S2/c1-13(2)31-12-26-19-20(25-10-17-8-9-18(33-17)22-27-14(3)11-32-22)29-23(30-21(19)31)28-16-6-4-15(24)5-7-16/h8-9,11-13,15-16H,4-7,10,24H2,1-3H3,(H2,25,28,29,30)/t15-,16-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of recombinant Cdk2/cyclinA				Bioorg Med Chem Lett 19: 6613-7 (2009) Article DOI: 10.1016/j.bmcl.2009.10.011 BindingDB Entry DOI: 10.7270/Q2M32WPQ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 (Homo sapiens (Human))	BDBM50378212 (CHEMBL575450) Show SMILES CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(15.79,-2.71,;16.81,-1.56,;18.32,-1.86,;16.32,-.1,;17.21,1.15,;16.3,2.39,;14.84,1.9,;13.51,2.66,;13.5,4.2,;12.16,4.96,;10.83,4.19,;10.84,2.64,;9.51,1.87,;8.17,2.64,;8.16,4.17,;9.49,4.95,;6.85,1.87,;5.51,2.63,;4.18,1.86,;4.18,.31,;5.51,-.46,;6.85,.32,;12.18,1.88,;12.18,.35,;10.85,-.43,;10.86,-1.97,;12.19,-2.73,;12.19,-4.28,;10.86,-5.05,;10.86,-6.59,;9.52,-4.28,;9.52,-2.74,;13.52,-.42,;14.85,.37,)| Show InChI InChI=1S/C27H33N7/c1-18(2)34-17-30-24-25(32-27(33-26(24)34)31-23-14-12-22(28)13-15-23)29-16-19-8-10-21(11-9-19)20-6-4-3-5-7-20/h3-11,17-18,22-23H,12-16,28H2,1-2H3,(H2,29,31,32,33)/t22-,23-	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of Cdk2/cyclinE				Bioorg Med Chem Lett 19: 6613-7 (2009) Article DOI: 10.1016/j.bmcl.2009.10.011 BindingDB Entry DOI: 10.7270/Q2M32WPQ
					More data for this Ligand-Target Pair

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