Compile Data Set for Download or QSAR

Found 109 hits with Last Name = 'ismail' and Initial = 's'   

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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5445 (CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...) Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)	PDB MMDB 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	11	n/a	n/a	n/a	n/a	n/a	n/a
Ain Shams University Curated by ChEMBL					Assay Description Inhibition of EGFR (unknown origin)				Eur J Med Chem 144: 330-348 (2018) Article DOI: 10.1016/j.ejmech.2017.12.022 BindingDB Entry DOI: 10.7270/Q27D2XS5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5447 (CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)	PDB MMDB 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	23	n/a	n/a	n/a	n/a	n/a	n/a
Ain Shams University Curated by ChEMBL					Assay Description Inhibition of EGFR (unknown origin)				Eur J Med Chem 144: 330-348 (2018) Article DOI: 10.1016/j.ejmech.2017.12.022 BindingDB Entry DOI: 10.7270/Q27D2XS5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50449926 (CHEMBL4167162) Show SMILES Clc1ccc(Nc2ncnc3ccc(NC(=O)CN4CCCC4)cc23)cc1 Show InChI InChI=1S/C20H20ClN5O/c21-14-3-5-15(6-4-14)25-20-17-11-16(7-8-18(17)22-13-23-20)24-19(27)12-26-9-1-2-10-26/h3-8,11,13H,1-2,9-10,12H2,(H,24,27)(H,22,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of EGFR in human MCF7 cell lysates after 24 to 48 hrs by ELISA				Eur J Med Chem 155: 782-796 (2018) Article DOI: 10.1016/j.ejmech.2018.06.024 BindingDB Entry DOI: 10.7270/Q2M90C8F
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50449926 (CHEMBL4167162) Show SMILES Clc1ccc(Nc2ncnc3ccc(NC(=O)CN4CCCC4)cc23)cc1 Show InChI InChI=1S/C20H20ClN5O/c21-14-3-5-15(6-4-14)25-20-17-11-16(7-8-18(17)22-13-23-20)24-19(27)12-26-9-1-2-10-26/h3-8,11,13H,1-2,9-10,12H2,(H,24,27)(H,22,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of EGFR in human MCF7 cell lysates after 24 to 48 hrs by ELISA				Eur J Med Chem 155: 782-796 (2018) Article DOI: 10.1016/j.ejmech.2018.06.024 BindingDB Entry DOI: 10.7270/Q2M90C8F
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50449929 (CHEMBL4169489) Show SMILES CN1CCN(CC(=O)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)CC1 Show InChI InChI=1S/C21H23BrN6O/c1-27-7-9-28(10-8-27)13-20(29)25-17-5-6-19-18(12-17)21(24-14-23-19)26-16-4-2-3-15(22)11-16/h2-6,11-12,14H,7-10,13H2,1H3,(H,25,29)(H,23,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of EGFR in human MCF7 cell lysates after 24 to 48 hrs by ELISA				Eur J Med Chem 155: 782-796 (2018) Article DOI: 10.1016/j.ejmech.2018.06.024 BindingDB Entry DOI: 10.7270/Q2M90C8F
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50449929 (CHEMBL4169489) Show SMILES CN1CCN(CC(=O)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)CC1 Show InChI InChI=1S/C21H23BrN6O/c1-27-7-9-28(10-8-27)13-20(29)25-17-5-6-19-18(12-17)21(24-14-23-19)26-16-4-2-3-15(22)11-16/h2-6,11-12,14H,7-10,13H2,1H3,(H,25,29)(H,23,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of EGFR in human MCF7 cell lysates after 24 to 48 hrs by ELISA				Eur J Med Chem 155: 782-796 (2018) Article DOI: 10.1016/j.ejmech.2018.06.024 BindingDB Entry DOI: 10.7270/Q2M90C8F
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50449927 (CHEMBL4166069) Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)CN4CCCCC4)cc23)c1 Show InChI InChI=1S/C21H22BrN5O/c22-15-5-4-6-16(11-15)26-21-18-12-17(7-8-19(18)23-14-24-21)25-20(28)13-27-9-2-1-3-10-27/h4-8,11-12,14H,1-3,9-10,13H2,(H,25,28)(H,23,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of EGFR in human MCF7 cell lysates after 24 to 48 hrs by ELISA				Eur J Med Chem 155: 782-796 (2018) Article DOI: 10.1016/j.ejmech.2018.06.024 BindingDB Entry DOI: 10.7270/Q2M90C8F
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50449927 (CHEMBL4166069) Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)CN4CCCCC4)cc23)c1 Show InChI InChI=1S/C21H22BrN5O/c22-15-5-4-6-16(11-15)26-21-18-12-17(7-8-19(18)23-14-24-21)25-20(28)13-27-9-2-1-3-10-27/h4-8,11-12,14H,1-3,9-10,13H2,(H,25,28)(H,23,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of EGFR in human MCF7 cell lysates after 24 to 48 hrs by ELISA				Eur J Med Chem 155: 782-796 (2018) Article DOI: 10.1016/j.ejmech.2018.06.024 BindingDB Entry DOI: 10.7270/Q2M90C8F
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50449930 (CHEMBL4170916) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=O)CN5CCCC5)cc34)cc2)c1 Show InChI InChI=1S/C27H26FN5O2/c28-20-5-3-4-19(14-20)17-35-23-9-6-21(7-10-23)32-27-24-15-22(8-11-25(24)29-18-30-27)31-26(34)16-33-12-1-2-13-33/h3-11,14-15,18H,1-2,12-13,16-17H2,(H,31,34)(H,29,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of EGFR in human MCF7 cell lysates after 24 to 48 hrs by ELISA				Eur J Med Chem 155: 782-796 (2018) Article DOI: 10.1016/j.ejmech.2018.06.024 BindingDB Entry DOI: 10.7270/Q2M90C8F
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50449930 (CHEMBL4170916) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=O)CN5CCCC5)cc34)cc2)c1 Show InChI InChI=1S/C27H26FN5O2/c28-20-5-3-4-19(14-20)17-35-23-9-6-21(7-10-23)32-27-24-15-22(8-11-25(24)29-18-30-27)31-26(34)16-33-12-1-2-13-33/h3-11,14-15,18H,1-2,12-13,16-17H2,(H,31,34)(H,29,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of EGFR in human MCF7 cell lysates after 24 to 48 hrs by ELISA				Eur J Med Chem 155: 782-796 (2018) Article DOI: 10.1016/j.ejmech.2018.06.024 BindingDB Entry DOI: 10.7270/Q2M90C8F
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5446 (CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...) Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)	PDB MMDB 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	73	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of EGFR in human MCF7 cell lysates after 24 to 48 hrs by ELISA				Eur J Med Chem 155: 782-796 (2018) Article DOI: 10.1016/j.ejmech.2018.06.024 BindingDB Entry DOI: 10.7270/Q2M90C8F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5446 (CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...) Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)	PDB MMDB 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	73	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of EGFR in human MCF7 cell lysates after 24 to 48 hrs by ELISA				Eur J Med Chem 155: 782-796 (2018) Article DOI: 10.1016/j.ejmech.2018.06.024 BindingDB Entry DOI: 10.7270/Q2M90C8F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50356624 (CHEMBL1910278) Show SMILES Nc1scc2c1c(NCCO)nc1nc(NCCO)nc(N)c21 Show InChI InChI=1S/C13H17N7O2S/c14-9-7-6-5-23-10(15)8(6)11(16-1-3-21)19-12(7)20-13(18-9)17-2-4-22/h5,21-22H,1-4,15H2,(H4,14,16,17,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
National Organization for Drug Control& Research Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin A expressed in baculovirus infected insect Sf21 cells using [gamma-P32]ATP and histone H1 as substrate after 10 mins by rad...				Eur J Med Chem 46: 5825-32 (2011) Article DOI: 10.1016/j.ejmech.2011.09.041 BindingDB Entry DOI: 10.7270/Q21C1X8V
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50449928 (CHEMBL4177348) Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)CN4CCOCC4)cc23)c1 Show InChI InChI=1S/C20H20BrN5O2/c21-14-2-1-3-15(10-14)25-20-17-11-16(4-5-18(17)22-13-23-20)24-19(27)12-26-6-8-28-9-7-26/h1-5,10-11,13H,6-9,12H2,(H,24,27)(H,22,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of EGFR in human MCF7 cell lysates after 24 to 48 hrs by ELISA				Eur J Med Chem 155: 782-796 (2018) Article DOI: 10.1016/j.ejmech.2018.06.024 BindingDB Entry DOI: 10.7270/Q2M90C8F
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50449928 (CHEMBL4177348) Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)CN4CCOCC4)cc23)c1 Show InChI InChI=1S/C20H20BrN5O2/c21-14-2-1-3-15(10-14)25-20-17-11-16(4-5-18(17)22-13-23-20)24-19(27)12-26-6-8-28-9-7-26/h1-5,10-11,13H,6-9,12H2,(H,24,27)(H,22,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of EGFR in human MCF7 cell lysates after 24 to 48 hrs by ELISA				Eur J Med Chem 155: 782-796 (2018) Article DOI: 10.1016/j.ejmech.2018.06.024 BindingDB Entry DOI: 10.7270/Q2M90C8F
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM22372 (4-[(2R,3S)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbut...) Show SMILES C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1 Show InChI InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3/t11-,12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Putra Malaysia Curated by ChEMBL					Assay Description Inhibition of human 5-LOX in human peripheral blood mononuclear leukocytes assessed as inhibition of calymycin A23187-stimulated LTB4 production prei...				Bioorg Med Chem 19: 6340-7 (2011) Article DOI: 10.1016/j.bmc.2011.09.001 BindingDB Entry DOI: 10.7270/Q2RR1ZNH
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50356616 (CHEMBL1910270) Show SMILES Nc1ncnc2nc(Nc3ccc(cc3)S(N)(=O)=O)c(cc12)C#N Show InChI InChI=1S/C14H11N7O2S/c15-6-8-5-11-12(16)18-7-19-14(11)21-13(8)20-9-1-3-10(4-2-9)24(17,22)23/h1-5,7H,(H2,17,22,23)(H3,16,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
National Organization for Drug Control& Research Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin A expressed in baculovirus infected insect Sf21 cells using [gamma-P32]ATP and histone H1 as substrate after 10 mins by rad...				Eur J Med Chem 46: 5825-32 (2011) Article DOI: 10.1016/j.ejmech.2011.09.041 BindingDB Entry DOI: 10.7270/Q21C1X8V
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Mus musculus)	BDBM22372 (4-[(2R,3S)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbut...) Show SMILES C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1 Show InChI InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3/t11-,12+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Putra Malaysia Curated by ChEMBL					Assay Description Inhibition of 5-LOX in calcium ionophore A23187-stimulated NMRI mouse macrophage assessed as inhibition of LTC4 production preincubated for 60 mins b...				Bioorg Med Chem 19: 6340-7 (2011) Article DOI: 10.1016/j.bmc.2011.09.001 BindingDB Entry DOI: 10.7270/Q2RR1ZNH
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50357364 (CHEMBL1242095) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c(-[#6](-[#6])=O)c1-[#8] Show InChI InChI=1S/C18H24O4/c1-11(2)6-5-7-12(3)8-9-14-15(20)10-16(21)17(13(4)19)18(14)22/h6,8,10,20-22H,5,7,9H2,1-4H3/b12-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Putra Malaysia Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 expressed in insect Sf21 cells assessed as inhibition of conversion of arachidonic acid to PGE2 preincubated for...				Bioorg Med Chem 19: 6340-7 (2011) Article DOI: 10.1016/j.bmc.2011.09.001 BindingDB Entry DOI: 10.7270/Q2RR1ZNH
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50357364 (CHEMBL1242095) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c(-[#6](-[#6])=O)c1-[#8] Show InChI InChI=1S/C18H24O4/c1-11(2)6-5-7-12(3)8-9-14-15(20)10-16(21)17(13(4)19)18(14)22/h6,8,10,20-22H,5,7,9H2,1-4H3/b12-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Putra Malaysia Curated by ChEMBL					Assay Description Inhibition of human 5-LOX in human peripheral blood mononuclear leukocytes assessed as inhibition of calymycin A23187-stimulated LTB4 production prei...				Bioorg Med Chem 19: 6340-7 (2011) Article DOI: 10.1016/j.bmc.2011.09.001 BindingDB Entry DOI: 10.7270/Q2RR1ZNH
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50356618 (CHEMBL1910272) Show SMILES Nc1scc2c1c(NCCO)nc1ncnc(N)c21 Show InChI InChI=1S/C11H12N6OS/c12-8-6-5-3-19-9(13)7(5)11(14-1-2-18)17-10(6)16-4-15-8/h3-4,18H,1-2,13H2,(H3,12,14,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
National Organization for Drug Control& Research Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin A expressed in baculovirus infected insect Sf21 cells using [gamma-P32]ATP and histone H1 as substrate after 10 mins by rad...				Eur J Med Chem 46: 5825-32 (2011) Article DOI: 10.1016/j.ejmech.2011.09.041 BindingDB Entry DOI: 10.7270/Q21C1X8V
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50464781 (CHEMBL4285894) Show SMILES Cc1oc2ncnc(Nc3cccc(Br)c3)c2c1C(O)=O Show InChI InChI=1S/C14H10BrN3O3/c1-7-10(14(19)20)11-12(16-6-17-13(11)21-7)18-9-4-2-3-8(15)5-9/h2-6H,1H3,(H,19,20)(H,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	752	n/a	n/a	n/a	n/a	n/a	n/a
Ain Shams University Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His/N-terminal GST-tagged EGFR (668 to 1210 residues) expressed in baculovirus infected Sf9 cells using bi...				Eur J Med Chem 144: 330-348 (2018) Article DOI: 10.1016/j.ejmech.2017.12.022 BindingDB Entry DOI: 10.7270/Q27D2XS5
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50356622 (CHEMBL1910276) Show SMILES Nc1nc(NCCO)nc2nc(Nc3ccc(cc3)S(N)(=O)=O)c(cc12)C#N Show InChI InChI=1S/C16H16N8O3S/c17-8-9-7-12-13(18)22-16(20-5-6-25)24-15(12)23-14(9)21-10-1-3-11(4-2-10)28(19,26)27/h1-4,7,25H,5-6H2,(H2,19,26,27)(H4,18,20,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
National Organization for Drug Control& Research Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin A expressed in baculovirus infected insect Sf21 cells using [gamma-P32]ATP and histone H1 as substrate after 10 mins by rad...				Eur J Med Chem 46: 5825-32 (2011) Article DOI: 10.1016/j.ejmech.2011.09.041 BindingDB Entry DOI: 10.7270/Q21C1X8V
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50464782 (CHEMBL4290375) Show SMILES Cc1oc2ncnc(Nc3cccc(Cl)c3)c2c1C(O)=O Show InChI InChI=1S/C14H10ClN3O3/c1-7-10(14(19)20)11-12(16-6-17-13(11)21-7)18-9-4-2-3-8(15)5-9/h2-6H,1H3,(H,19,20)(H,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	901	n/a	n/a	n/a	n/a	n/a	n/a
Ain Shams University Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His/N-terminal GST-tagged EGFR (668 to 1210 residues) expressed in baculovirus infected Sf9 cells using bi...				Eur J Med Chem 144: 330-348 (2018) Article DOI: 10.1016/j.ejmech.2017.12.022 BindingDB Entry DOI: 10.7270/Q27D2XS5
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50464779 (CHEMBL4293326) Show SMILES Cc1oc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1C(O)=O Show InChI InChI=1S/C21H15ClFN3O4/c1-11-17(21(27)28)18-19(24-10-25-20(18)30-11)26-14-5-6-16(15(22)8-14)29-9-12-3-2-4-13(23)7-12/h2-8,10H,9H2,1H3,(H,27,28)(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	951	n/a	n/a	n/a	n/a	n/a	n/a
Ain Shams University Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His/N-terminal GST-tagged EGFR (668 to 1210 residues) expressed in baculovirus infected Sf9 cells using bi...				Eur J Med Chem 144: 330-348 (2018) Article DOI: 10.1016/j.ejmech.2017.12.022 BindingDB Entry DOI: 10.7270/Q27D2XS5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50142632 (CHEMBL1231469) Show SMILES Brc1ccc2NC(=O)\C(=C3/Nc4ccccc4C3=O)c2c1 Show InChI InChI=1S/C16H9BrN2O2/c17-8-5-6-12-10(7-8)13(16(21)19-12)14-15(20)9-3-1-2-4-11(9)18-14/h1-7,18H,(H,19,21)/b14-13-	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human CDK2/cyclin E expressed in insect SF-9 cells after 10 mins by scintillation counting analysis in presence ...				Eur J Med Chem 108: 415-22 (2016) Article DOI: 10.1016/j.ejmech.2015.11.047 BindingDB Entry DOI: 10.7270/Q2M90BJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50310357 (CHEMBL599552 | indigo) Show SMILES O=C1C(Nc2ccccc12)=C1Nc2ccccc2C1=O |w:2.2| Show InChI InChI=1S/C16H10N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17-18H	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human CDK2/cyclin E expressed in insect SF-9 cells after 10 mins by scintillation counting analysis in presence ...				Eur J Med Chem 108: 415-22 (2016) Article DOI: 10.1016/j.ejmech.2015.11.047 BindingDB Entry DOI: 10.7270/Q2M90BJM
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Mus musculus)	BDBM50357364 (CHEMBL1242095) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c(-[#6](-[#6])=O)c1-[#8] Show InChI InChI=1S/C18H24O4/c1-11(2)6-5-7-12(3)8-9-14-15(20)10-16(21)17(13(4)19)18(14)22/h6,8,10,20-22H,5,7,9H2,1-4H3/b12-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Putra Malaysia Curated by ChEMBL					Assay Description Inhibition of 5-LOX in calcium ionophore A23187-stimulated NMRI mouse macrophage assessed as inhibition of LTC4 production preincubated for 60 mins b...				Bioorg Med Chem 19: 6340-7 (2011) Article DOI: 10.1016/j.bmc.2011.09.001 BindingDB Entry DOI: 10.7270/Q2RR1ZNH
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50464780 (CHEMBL4292715) Show SMILES Cc1oc2ncnc(Nc3cccc(Cl)c3)c2c1C(=O)NCCO Show InChI InChI=1S/C16H15ClN4O3/c1-9-12(15(23)18-5-6-22)13-14(19-8-20-16(13)24-9)21-11-4-2-3-10(17)7-11/h2-4,7-8,22H,5-6H2,1H3,(H,18,23)(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ain Shams University Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His/N-terminal GST-tagged EGFR (668 to 1210 residues) expressed in baculovirus infected Sf9 cells using bi...				Eur J Med Chem 144: 330-348 (2018) Article DOI: 10.1016/j.ejmech.2017.12.022 BindingDB Entry DOI: 10.7270/Q27D2XS5
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50356623 (CHEMBL1910277) Show SMILES Cc1c(C#N)c(Nc2ccc(cc2)S(N)(=O)=O)nc2nc(NCCO)nc(N)c12 Show InChI InChI=1S/C17H18N8O3S/c1-9-12(8-18)15(22-10-2-4-11(5-3-10)29(20,27)28)24-16-13(9)14(19)23-17(25-16)21-6-7-26/h2-5,26H,6-7H2,1H3,(H2,20,27,28)(H4,19,21,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Organization for Drug Control& Research Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin A expressed in baculovirus infected insect Sf21 cells using [gamma-P32]ATP and histone H1 as substrate after 10 mins by rad...				Eur J Med Chem 46: 5825-32 (2011) Article DOI: 10.1016/j.ejmech.2011.09.041 BindingDB Entry DOI: 10.7270/Q21C1X8V
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50356621 (CHEMBL1910275) Show SMILES Cc1c(C#N)c(NCCO)nc2nc(NCCO)nc(N)c12 Show InChI InChI=1S/C13H17N7O2/c1-7-8(6-14)11(16-2-4-21)19-12-9(7)10(15)18-13(20-12)17-3-5-22/h21-22H,2-5H2,1H3,(H4,15,16,17,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Organization for Drug Control& Research Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin A expressed in baculovirus infected insect Sf21 cells using [gamma-P32]ATP and histone H1 as substrate after 10 mins by rad...				Eur J Med Chem 46: 5825-32 (2011) Article DOI: 10.1016/j.ejmech.2011.09.041 BindingDB Entry DOI: 10.7270/Q21C1X8V
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50356620 (CHEMBL1910274) Show SMILES Nc1nc(NCCO)nc2nc(NCCO)c(cc12)C#N Show InChI InChI=1S/C12H15N7O2/c13-6-7-5-8-9(14)17-12(16-2-4-21)19-11(8)18-10(7)15-1-3-20/h5,20-21H,1-4H2,(H4,14,15,16,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Organization for Drug Control& Research Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin A expressed in baculovirus infected insect Sf21 cells using [gamma-P32]ATP and histone H1 as substrate after 10 mins by rad...				Eur J Med Chem 46: 5825-32 (2011) Article DOI: 10.1016/j.ejmech.2011.09.041 BindingDB Entry DOI: 10.7270/Q21C1X8V
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50357364 (CHEMBL1242095) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c(-[#6](-[#6])=O)c1-[#8] Show InChI InChI=1S/C18H24O4/c1-11(2)6-5-7-12(3)8-9-14-15(20)10-16(21)17(13(4)19)18(14)22/h6,8,10,20-22H,5,7,9H2,1-4H3/b12-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Putra Malaysia Curated by ChEMBL					Assay Description Inhibition of COX1 in human platelets assessed as inhibition of conversion of arachidonic acid to PGE2 preincubated for 15 mins before substrate addi...				Bioorg Med Chem 19: 6340-7 (2011) Article DOI: 10.1016/j.bmc.2011.09.001 BindingDB Entry DOI: 10.7270/Q2RR1ZNH
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5718 (2,6,9-Trisubstituted purine deriv. 26 | 2-{[6-(ben...) Show SMILES Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12 Show InChI InChI=1S/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Organization for Drug Control& Research Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin A expressed in baculovirus infected insect Sf21 cells using [gamma-P32]ATP and histone H1 as substrate after 10 mins by rad...				Eur J Med Chem 46: 5825-32 (2011) Article DOI: 10.1016/j.ejmech.2011.09.041 BindingDB Entry DOI: 10.7270/Q21C1X8V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50356625 (CHEMBL1910279) Show SMILES Nc1scc2c1c(Nc1ccc(cc1)S(N)(=O)=O)nc1nc(NCCO)nc(N)c21 Show InChI InChI=1S/C17H18N8O3S2/c18-13-11-10-7-29-14(19)12(10)16(24-15(11)25-17(23-13)21-5-6-26)22-8-1-3-9(4-2-8)30(20,27)28/h1-4,7,26H,5-6,19H2,(H2,20,27,28)(H4,18,21,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Organization for Drug Control& Research Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin A expressed in baculovirus infected insect Sf21 cells using [gamma-P32]ATP and histone H1 as substrate after 10 mins by rad...				Eur J Med Chem 46: 5825-32 (2011) Article DOI: 10.1016/j.ejmech.2011.09.041 BindingDB Entry DOI: 10.7270/Q21C1X8V
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50356617 (CHEMBL1910271) Show SMILES Cc1c(C#N)c(Nc2ccc(cc2)S(N)(=O)=O)nc2ncnc(N)c12 Show InChI InChI=1S/C15H13N7O2S/c1-8-11(6-16)14(22-15-12(8)13(17)19-7-20-15)21-9-2-4-10(5-3-9)25(18,23)24/h2-5,7H,1H3,(H2,18,23,24)(H3,17,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Organization for Drug Control& Research Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin A expressed in baculovirus infected insect Sf21 cells using [gamma-P32]ATP and histone H1 as substrate after 10 mins by rad...				Eur J Med Chem 46: 5825-32 (2011) Article DOI: 10.1016/j.ejmech.2011.09.041 BindingDB Entry DOI: 10.7270/Q21C1X8V
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM113824 (1-(2-((4-Methoxyphenyl)amino)-3-oxo-3,4 dihydroqui...) Show SMILES COc1ccc(Nc2nc3ccc(NC(=O)Nc4ccccc4)cc3[nH]c2=O)cc1 Show InChI InChI=1S/C22H19N5O3/c1-30-17-10-7-15(8-11-17)23-20-21(28)27-19-13-16(9-12-18(19)26-20)25-22(29)24-14-5-3-2-4-6-14/h2-13H,1H3,(H,23,26)(H,27,28)(H2,24,25,29)	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	1.03E+4	n/a	n/a	n/a	n/a	n/a	30
Ain Shams University, Abassia, Cairo 11566, Egypt.					Assay Description Assays are performed for 15 min at 30 °C, with 50 µM of P33-ATP in a final volume of 25 µL. The assays are terminated by spotting 20 &...				Bioorg Chem 16-26 (2014) Article DOI: 10.1016/j.bioorg.2014.05.010 BindingDB Entry DOI: 10.7270/Q2JM289W
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50356614 (CHEMBL1910268) Show SMILES Nc1ncnc2nc(NCCO)c(cc12)C#N Show InChI InChI=1S/C10H10N6O/c11-4-6-3-7-8(12)14-5-15-10(7)16-9(6)13-1-2-17/h3,5,17H,1-2H2,(H3,12,13,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Organization for Drug Control& Research Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin A expressed in baculovirus infected insect Sf21 cells using [gamma-P32]ATP and histone H1 as substrate after 10 mins by rad...				Eur J Med Chem 46: 5825-32 (2011) Article DOI: 10.1016/j.ejmech.2011.09.041 BindingDB Entry DOI: 10.7270/Q21C1X8V
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50356619 (CHEMBL1910273) Show SMILES Nc1scc2c1c(Nc1ccc(cc1)S(N)(=O)=O)nc1ncnc(N)c21 Show InChI InChI=1S/C15H13N7O2S2/c16-12-10-9-5-25-13(17)11(9)15(22-14(10)20-6-19-12)21-7-1-3-8(4-2-7)26(18,23)24/h1-6H,17H2,(H2,18,23,24)(H3,16,19,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Organization for Drug Control& Research Curated by ChEMBL					Assay Description Inhibition of human EGFR				Eur J Med Chem 46: 5825-32 (2011) Article DOI: 10.1016/j.ejmech.2011.09.041 BindingDB Entry DOI: 10.7270/Q21C1X8V
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50356615 (CHEMBL1910269) Show SMILES Cc1c(C#N)c(NCCO)nc2ncnc(N)c12 Show InChI InChI=1S/C11H12N6O/c1-6-7(4-12)10(14-2-3-18)17-11-8(6)9(13)15-5-16-11/h5,18H,2-3H2,1H3,(H3,13,14,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Organization for Drug Control& Research Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin A expressed in baculovirus infected insect Sf21 cells using [gamma-P32]ATP and histone H1 as substrate after 10 mins by rad...				Eur J Med Chem 46: 5825-32 (2011) Article DOI: 10.1016/j.ejmech.2011.09.041 BindingDB Entry DOI: 10.7270/Q21C1X8V
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50356619 (CHEMBL1910273) Show SMILES Nc1scc2c1c(Nc1ccc(cc1)S(N)(=O)=O)nc1ncnc(N)c21 Show InChI InChI=1S/C15H13N7O2S2/c16-12-10-9-5-25-13(17)11(9)15(22-14(10)20-6-19-12)21-7-1-3-8(4-2-7)26(18,23)24/h1-6H,17H2,(H2,18,23,24)(H3,16,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Organization for Drug Control& Research Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin A expressed in baculovirus infected insect Sf21 cells using [gamma-P32]ATP and histone H1 as substrate after 10 mins by rad...				Eur J Med Chem 46: 5825-32 (2011) Article DOI: 10.1016/j.ejmech.2011.09.041 BindingDB Entry DOI: 10.7270/Q21C1X8V
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50356621 (CHEMBL1910275) Show SMILES Cc1c(C#N)c(NCCO)nc2nc(NCCO)nc(N)c12 Show InChI InChI=1S/C13H17N7O2/c1-7-8(6-14)11(16-2-4-21)19-12-9(7)10(15)18-13(20-12)17-3-5-22/h21-22H,2-5H2,1H3,(H4,15,16,17,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.79E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Organization for Drug Control& Research Curated by ChEMBL					Assay Description Inhibition of human EGFR				Eur J Med Chem 46: 5825-32 (2011) Article DOI: 10.1016/j.ejmech.2011.09.041 BindingDB Entry DOI: 10.7270/Q21C1X8V
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM113825 (2-((2-((4-Methoxyphenyl)amino)-3-oxo-3,4- dihydroq...) Show SMILES COc1ccc(Nc2nc3ccc(NC(=O)c4ccccc4C(O)=O)cc3[nH]c2=O)cc1 Show InChI InChI=1S/C23H18N4O5/c1-32-15-9-6-13(7-10-15)24-20-22(29)27-19-12-14(8-11-18(19)26-20)25-21(28)16-4-2-3-5-17(16)23(30)31/h2-12H,1H3,(H,24,26)(H,25,28)(H,27,29)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.18E+4	n/a	n/a	n/a	n/a	n/a	30
Ain Shams University, Abassia, Cairo 11566, Egypt.					Assay Description Assays are performed for 15 min at 30 °C, with 50 µM of P33-ATP in a final volume of 25 µL. The assays are terminated by spotting 20 &...				Bioorg Chem 16-26 (2014) Article DOI: 10.1016/j.bioorg.2014.05.010 BindingDB Entry DOI: 10.7270/Q2JM289W
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50356624 (CHEMBL1910278) Show SMILES Nc1scc2c1c(NCCO)nc1nc(NCCO)nc(N)c21 Show InChI InChI=1S/C13H17N7O2S/c14-9-7-6-5-23-10(15)8(6)11(16-1-3-21)19-12(7)20-13(18-9)17-2-4-22/h5,21-22H,1-4,15H2,(H4,14,16,17,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Organization for Drug Control& Research Curated by ChEMBL					Assay Description Inhibition of human EGFR				Eur J Med Chem 46: 5825-32 (2011) Article DOI: 10.1016/j.ejmech.2011.09.041 BindingDB Entry DOI: 10.7270/Q21C1X8V
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM113828 (1-(3-Chlorophenyl)-3-(4-((6-nitroquinoxalin-2-yl)a...) Show SMILES [O-][N+](=O)c1ccc2nc(Nc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)cnc2c1 Show InChI InChI=1S/C21H15ClN6O3/c22-13-2-1-3-16(10-13)26-21(29)25-15-6-4-14(5-7-15)24-20-12-23-19-11-17(28(30)31)8-9-18(19)27-20/h1-12H,(H,24,27)(H2,25,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.54E+4	n/a	n/a	n/a	n/a	n/a	30
Ain Shams University, Abassia, Cairo 11566, Egypt.					Assay Description Assays are performed for 15 min at 30 °C, with 50 µM of P33-ATP in a final volume of 25 µL. The assays are terminated by spotting 20 &...				Bioorg Chem 16-26 (2014) Article DOI: 10.1016/j.bioorg.2014.05.010 BindingDB Entry DOI: 10.7270/Q2JM289W
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50356614 (CHEMBL1910268) Show SMILES Nc1ncnc2nc(NCCO)c(cc12)C#N Show InChI InChI=1S/C10H10N6O/c11-4-6-3-7-8(12)14-5-15-10(7)16-9(6)13-1-2-17/h3,5,17H,1-2H2,(H3,12,13,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Organization for Drug Control& Research Curated by ChEMBL					Assay Description Inhibition of human EGFR				Eur J Med Chem 46: 5825-32 (2011) Article DOI: 10.1016/j.ejmech.2011.09.041 BindingDB Entry DOI: 10.7270/Q21C1X8V
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50356620 (CHEMBL1910274) Show SMILES Nc1nc(NCCO)nc2nc(NCCO)c(cc12)C#N Show InChI InChI=1S/C12H15N7O2/c13-6-7-5-8-9(14)17-12(16-2-4-21)19-11(8)18-10(7)15-1-3-20/h5,20-21H,1-4H2,(H4,14,15,16,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Organization for Drug Control& Research Curated by ChEMBL					Assay Description Inhibition of human EGFR				Eur J Med Chem 46: 5825-32 (2011) Article DOI: 10.1016/j.ejmech.2011.09.041 BindingDB Entry DOI: 10.7270/Q21C1X8V
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50356618 (CHEMBL1910272) Show SMILES Nc1scc2c1c(NCCO)nc1ncnc(N)c21 Show InChI InChI=1S/C11H12N6OS/c12-8-6-5-3-19-9(13)7(5)11(14-1-2-18)17-10(6)16-4-15-8/h3-4,18H,1-2,13H2,(H3,12,14,15,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Organization for Drug Control& Research Curated by ChEMBL					Assay Description Inhibition of human EGFR				Eur J Med Chem 46: 5825-32 (2011) Article DOI: 10.1016/j.ejmech.2011.09.041 BindingDB Entry DOI: 10.7270/Q21C1X8V
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50356617 (CHEMBL1910271) Show SMILES Cc1c(C#N)c(Nc2ccc(cc2)S(N)(=O)=O)nc2ncnc(N)c12 Show InChI InChI=1S/C15H13N7O2S/c1-8-11(6-16)14(22-15-12(8)13(17)19-7-20-15)21-9-2-4-10(5-3-9)25(18,23)24/h2-5,7H,1H3,(H2,18,23,24)(H3,17,19,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Organization for Drug Control& Research Curated by ChEMBL					Assay Description Inhibition of human EGFR				Eur J Med Chem 46: 5825-32 (2011) Article DOI: 10.1016/j.ejmech.2011.09.041 BindingDB Entry DOI: 10.7270/Q21C1X8V
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50356625 (CHEMBL1910279) Show SMILES Nc1scc2c1c(Nc1ccc(cc1)S(N)(=O)=O)nc1nc(NCCO)nc(N)c21 Show InChI InChI=1S/C17H18N8O3S2/c18-13-11-10-7-29-14(19)12(10)16(24-15(11)25-17(23-13)21-5-6-26)22-8-1-3-9(4-2-8)30(20,27)28/h1-4,7,26H,5-6,19H2,(H2,20,27,28)(H4,18,21,22,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Organization for Drug Control& Research Curated by ChEMBL					Assay Description Inhibition of human EGFR				Eur J Med Chem 46: 5825-32 (2011) Article DOI: 10.1016/j.ejmech.2011.09.041 BindingDB Entry DOI: 10.7270/Q21C1X8V
					More data for this Ligand-Target Pair

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