Compile Data Set for Download or QSAR

Found 210 hits with Last Name = 'doctor' and Initial = 'zm'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cyclin-Y (Homo sapiens)	BDBM50535590 (CHEMBL4563703) Show SMILES OC(=O)C(F)(F)F.COc1ccc(Cl)c(C(=O)Nc2c[nH]nc2C(=O)NC2CCN(CC2)S(=O)(=O)c2cccc(NC(=O)C=C)c2)c1Cl Show InChI InChI=1S/C26H26Cl2N6O6S/c1-3-21(35)30-16-5-4-6-17(13-16)41(38,39)34-11-9-15(10-12-34)31-26(37)24-19(14-29-33-24)32-25(36)22-18(27)7-8-20(40-2)23(22)28/h3-8,13-15H,1,9-12H2,2H3,(H,29,33)(H,30,35)(H,31,37)(H,32,36)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged human full length CDK14/cyclin Y (2 to end residues) preincubated for 30 mins by Lantha screen eu binding assay				Bioorg Med Chem Lett 29: 1985-1993 (2019) Article DOI: 10.1016/j.bmcl.2019.05.024 BindingDB Entry DOI: 10.7270/Q29P355R
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50179500 (CHEMBL3813876) Show SMILES Fc1ccc(Nc2ncnc3ccc(NC(=S)NCCCN4CCOCC4)cc23)cc1Cl Show InChI InChI=1S/C22H24ClFN6OS/c23-18-13-16(2-4-19(18)24)28-21-17-12-15(3-5-20(17)26-14-27-21)29-22(32)25-6-1-7-30-8-10-31-11-9-30/h2-5,12-14H,1,6-11H2,(H2,25,29,32)(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.495	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
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	0.509	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50179513 (CHEMBL3814257) Show SMILES CC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 Show InChI InChI=1S/C16H12ClFN4O/c1-9(23)21-10-3-5-15-12(6-10)16(20-8-19-15)22-11-2-4-14(18)13(17)7-11/h2-8H,1H3,(H,21,23)(H,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.662	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50179515 (CHEMBL3814882) Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)NCCN4CCCCC4)cc23)c1 Show InChI InChI=1S/C22H25BrN6O/c23-16-5-4-6-17(13-16)27-21-19-14-18(7-8-20(19)25-15-26-21)28-22(30)24-9-12-29-10-2-1-3-11-29/h4-8,13-15H,1-3,9-12H2,(H2,24,28,30)(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.772	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
Cyclin-Y (Homo sapiens)	BDBM50535569 (CHEMBL4535078) Show SMILES OC(=O)C(F)(F)F.COc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCN(CC1)S(=O)(=O)c1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C26H27ClN6O6S/c1-3-22(34)29-17-6-4-7-18(14-17)40(37,38)33-12-10-16(11-13-33)30-26(36)24-20(15-28-32-24)31-25(35)23-19(27)8-5-9-21(23)39-2/h3-9,14-16H,1,10-13H2,2H3,(H,28,32)(H,29,34)(H,30,36)(H,31,35)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged human full length CDK14/cyclin Y (2 to end residues) preincubated for 30 mins by Lantha screen eu binding assay				Bioorg Med Chem Lett 29: 1985-1993 (2019) Article DOI: 10.1016/j.bmcl.2019.05.024 BindingDB Entry DOI: 10.7270/Q29P355R
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50179508 (CHEMBL3814959) Show SMILES NC(=O)Nc1ccc2ncnc(Nc3ccc(Br)cc3)c2c1 Show InChI InChI=1S/C15H12BrN5O/c16-9-1-3-10(4-2-9)20-14-12-7-11(21-15(17)22)5-6-13(12)18-8-19-14/h1-8H,(H3,17,21,22)(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.803	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50179512 (CHEMBL3814211) Show SMILES NC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 Show InChI InChI=1S/C15H11ClFN5O/c16-11-6-9(1-3-12(11)17)21-14-10-5-8(22-15(18)23)2-4-13(10)19-7-20-14/h1-7H,(H3,18,22,23)(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.854	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50179509 (CHEMBL2031296) Show SMILES CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C16H13BrN4O/c1-10(22)20-13-5-6-15-14(8-13)16(19-9-18-15)21-12-4-2-3-11(17)7-12/h2-9H,1H3,(H,20,22)(H,18,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
Cyclin-Y (Homo sapiens)	BDBM50535547 (CHEMBL4522564) Show SMILES OC(=O)C(F)(F)F.Clc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCN(CC1)S(=O)(=O)c1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C25H24Cl2N6O5S/c1-2-21(34)29-16-5-3-6-17(13-16)39(37,38)33-11-9-15(10-12-33)30-25(36)23-20(14-28-32-23)31-24(35)22-18(26)7-4-8-19(22)27/h2-8,13-15H,1,9-12H2,(H,28,32)(H,29,34)(H,30,36)(H,31,35)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged human full length CDK14/cyclin Y (2 to end residues) preincubated for 30 mins by Lantha screen eu binding assay				Bioorg Med Chem Lett 29: 1985-1993 (2019) Article DOI: 10.1016/j.bmcl.2019.05.024 BindingDB Entry DOI: 10.7270/Q29P355R
					More data for this Ligand-Target Pair
Cyclin-Y (Homo sapiens)	BDBM50535520 (CHEMBL4560035) Show SMILES OC(=O)C(F)(F)F.Clc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCN(Cc2cccc(NC(=O)C=C)c2)CC1 Show InChI InChI=1S/C26H26Cl2N6O3/c1-2-22(35)30-18-6-3-5-16(13-18)15-34-11-9-17(10-12-34)31-26(37)24-21(14-29-33-24)32-25(36)23-19(27)7-4-8-20(23)28/h2-8,13-14,17H,1,9-12,15H2,(H,29,33)(H,30,35)(H,31,37)(H,32,36)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged human full length CDK14/cyclin Y (2 to end residues) preincubated for 30 mins by Lantha screen eu binding assay				Bioorg Med Chem Lett 29: 1985-1993 (2019) Article DOI: 10.1016/j.bmcl.2019.05.024 BindingDB Entry DOI: 10.7270/Q29P355R
					More data for this Ligand-Target Pair
Cyclin-Y (Homo sapiens)	BDBM50535532 (CHEMBL4534124) Show SMILES OC(=O)C(F)(F)F.CN(C)C\C=C\C(=O)Nc1cccc(CN2CCC(CC2)NC(=O)c2n[nH]cc2NC(=O)c2c(Cl)cccc2Cl)c1 Show InChI InChI=1S/C29H33Cl2N7O3/c1-37(2)13-5-10-25(39)33-21-7-3-6-19(16-21)18-38-14-11-20(12-15-38)34-29(41)27-24(17-32-36-27)35-28(40)26-22(30)8-4-9-23(26)31/h3-10,16-17,20H,11-15,18H2,1-2H3,(H,32,36)(H,33,39)(H,34,41)(H,35,40)/b10-5+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged human full length CDK14/cyclin Y (2 to end residues) preincubated for 30 mins by Lantha screen eu binding assay				Bioorg Med Chem Lett 29: 1985-1993 (2019) Article DOI: 10.1016/j.bmcl.2019.05.024 BindingDB Entry DOI: 10.7270/Q29P355R
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50179517 (CHEMBL3814956) Show SMILES Fc1ccc(Nc2ncnc3ccc(NC(=O)NCCN4CCCCC4)cc23)cc1Cl Show InChI InChI=1S/C22H24ClFN6O/c23-18-13-16(4-6-19(18)24)28-21-17-12-15(5-7-20(17)26-14-27-21)29-22(31)25-8-11-30-9-2-1-3-10-30/h4-7,12-14H,1-3,8-11H2,(H2,25,29,31)(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50179514 (CHEMBL3814320) Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)NCCN4CCOCC4)cc23)c1 Show InChI InChI=1S/C21H23BrN6O2/c22-15-2-1-3-16(12-15)26-20-18-13-17(4-5-19(18)24-14-25-20)27-21(29)23-6-7-28-8-10-30-11-9-28/h1-5,12-14H,6-11H2,(H2,23,27,29)(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50179503 (CHEMBL3814812) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=S)NCCCN5CCOCC5)cc34)cc2Cl)c1 Show InChI InChI=1S/C29H30ClFN6O2S/c30-25-17-23(6-8-27(25)39-18-20-3-1-4-21(31)15-20)35-28-24-16-22(5-7-26(24)33-19-34-28)36-29(40)32-9-2-10-37-11-13-38-14-12-37/h1,3-8,15-17,19H,2,9-14,18H2,(H2,32,36,40)(H,33,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
Cyclin-Y (Homo sapiens)	BDBM50535523 (CHEMBL4446451) Show SMILES OC(=O)C(F)(F)F.COc1cccc(F)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCN(CC1)S(=O)(=O)c1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C26H27FN6O6S/c1-3-22(34)29-17-6-4-7-18(14-17)40(37,38)33-12-10-16(11-13-33)30-26(36)24-20(15-28-32-24)31-25(35)23-19(27)8-5-9-21(23)39-2/h3-9,14-16H,1,10-13H2,2H3,(H,28,32)(H,29,34)(H,30,36)(H,31,35)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged human full length CDK14/cyclin Y (2 to end residues) preincubated for 30 mins by Lantha screen eu binding assay				Bioorg Med Chem Lett 29: 1985-1993 (2019) Article DOI: 10.1016/j.bmcl.2019.05.024 BindingDB Entry DOI: 10.7270/Q29P355R
					More data for this Ligand-Target Pair
Cyclin-Y (Homo sapiens)	BDBM50535591 (CHEMBL4522598) Show SMILES OC(=O)C(F)(F)F.CN(C)C\C=C\C(=O)Nc1cccc(c1)S(=O)(=O)N1CCC(CC1)NC(=O)c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C28H31Cl2N7O5S/c1-36(2)13-5-10-24(38)32-19-6-3-7-20(16-19)43(41,42)37-14-11-18(12-15-37)33-28(40)26-23(17-31-35-26)34-27(39)25-21(29)8-4-9-22(25)30/h3-10,16-18H,11-15H2,1-2H3,(H,31,35)(H,32,38)(H,33,40)(H,34,39)/b10-5+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged human full length CDK14/cyclin Y (2 to end residues) preincubated for 30 mins by Lantha screen eu binding assay				Bioorg Med Chem Lett 29: 1985-1993 (2019) Article DOI: 10.1016/j.bmcl.2019.05.024 BindingDB Entry DOI: 10.7270/Q29P355R
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50179494 (CHEMBL3815163) Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=S)NCCN4CCOCC4)cc23)c1 Show InChI InChI=1S/C21H23BrN6OS/c22-15-2-1-3-16(12-15)26-20-18-13-17(4-5-19(18)24-14-25-20)27-21(30)23-6-7-28-8-10-29-11-9-28/h1-5,12-14H,6-11H2,(H2,23,27,30)(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50179511 (CHEMBL3815074) Show SMILES CC(=O)Nc1ccc2ncnc(Nc3cccc(c3)C#C)c2c1 Show InChI InChI=1S/C18H14N4O/c1-3-13-5-4-6-14(9-13)22-18-16-10-15(21-12(2)23)7-8-17(16)19-11-20-18/h1,4-11H,2H3,(H,21,23)(H,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50132490 (CHEMBL3633928) Show SMILES NC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C22H17ClFN5O2/c23-18-10-16(5-7-20(18)31-11-13-2-1-3-14(24)8-13)28-21-17-9-15(29-22(25)30)4-6-19(17)26-12-27-21/h1-10,12H,11H2,(H3,25,29,30)(H,26,27,28)	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	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50179510 (CHEMBL3814447) Show SMILES NC(=O)Nc1ccc2ncnc(Nc3cccc(c3)C#C)c2c1 Show InChI InChI=1S/C17H13N5O/c1-2-11-4-3-5-12(8-11)21-16-14-9-13(22-17(18)23)6-7-15(14)19-10-20-16/h1,3-10H,(H3,18,22,23)(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50179496 (CHEMBL3813728) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=S)NCCN5CCOCC5)cc34)cc2Cl)c1 Show InChI InChI=1S/C28H28ClFN6O2S/c29-24-16-22(5-7-26(24)38-17-19-2-1-3-20(30)14-19)34-27-23-15-21(4-6-25(23)32-18-33-27)35-28(39)31-8-9-36-10-12-37-13-11-36/h1-7,14-16,18H,8-13,17H2,(H2,31,35,39)(H,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50179519 (CHEMBL3814445) Show SMILES Fc1ccc(Nc2ncnc3ccc(NC(=S)NCCN4CCOCC4)cc23)cc1Cl Show InChI InChI=1S/C21H22ClFN6OS/c22-17-12-15(1-3-18(17)23)27-20-16-11-14(2-4-19(16)25-13-26-20)28-21(31)24-5-6-29-7-9-30-10-8-29/h1-4,11-13H,5-10H2,(H2,24,28,31)(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
Cyclin-Y (Homo sapiens)	BDBM50535546 (CHEMBL4515515) Show SMILES OC(=O)C(F)(F)F.CN(C)C\C=C\C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C28H31Cl2N7O5S/c1-36(2)14-4-7-24(38)32-18-8-10-20(11-9-18)43(41,42)37-15-12-19(13-16-37)33-28(40)26-23(17-31-35-26)34-27(39)25-21(29)5-3-6-22(25)30/h3-11,17,19H,12-16H2,1-2H3,(H,31,35)(H,32,38)(H,33,40)(H,34,39)/b7-4+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged human full length CDK14/cyclin Y (2 to end residues) preincubated for 30 mins by Lantha screen eu binding assay				Bioorg Med Chem Lett 29: 1985-1993 (2019) Article DOI: 10.1016/j.bmcl.2019.05.024 BindingDB Entry DOI: 10.7270/Q29P355R
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50179516 (CHEMBL3815161) Show SMILES Fc1ccc(Nc2ncnc3ccc(NC(=O)NCCN4CCOCC4)cc23)cc1Cl Show InChI InChI=1S/C21H22ClFN6O2/c22-17-12-15(1-3-18(17)23)27-20-16-11-14(2-4-19(16)25-13-26-20)28-21(30)24-5-6-29-7-9-31-10-8-29/h1-4,11-13H,5-10H2,(H2,24,28,30)(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
Cyclin-Y (Homo sapiens)	BDBM50535535 (CHEMBL4542127) Show SMILES OC(=O)C(F)(F)F.COc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCN(CC1)S(=O)(=O)c1cccc(NC(=O)\C=C\CN(C)C)c1 Show InChI InChI=1S/C29H34ClN7O6S/c1-36(2)14-6-11-25(38)32-20-7-4-8-21(17-20)44(41,42)37-15-12-19(13-16-37)33-29(40)27-23(18-31-35-27)34-28(39)26-22(30)9-5-10-24(26)43-3/h4-11,17-19H,12-16H2,1-3H3,(H,31,35)(H,32,38)(H,33,40)(H,34,39)/b11-6+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged human full length CDK14/cyclin Y (2 to end residues) preincubated for 30 mins by Lantha screen eu binding assay				Bioorg Med Chem Lett 29: 1985-1993 (2019) Article DOI: 10.1016/j.bmcl.2019.05.024 BindingDB Entry DOI: 10.7270/Q29P355R
					More data for this Ligand-Target Pair
Cyclin-Y (Homo sapiens)	BDBM50535571 (CHEMBL4530961) Show SMILES OC(=O)C(F)(F)F.CN(C)C\C=C\C(=O)Nc1cccc(c1)S(=O)(=O)N1CCC(CC1)NC(=O)c1n[nH]cc1NC(=O)c1ccccc1 Show InChI InChI=1S/C28H33N7O5S/c1-34(2)15-7-12-25(36)30-22-10-6-11-23(18-22)41(39,40)35-16-13-21(14-17-35)31-28(38)26-24(19-29-33-26)32-27(37)20-8-4-3-5-9-20/h3-12,18-19,21H,13-17H2,1-2H3,(H,29,33)(H,30,36)(H,31,38)(H,32,37)/b12-7+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged human full length CDK14/cyclin Y (2 to end residues) preincubated for 30 mins by Lantha screen eu binding assay				Bioorg Med Chem Lett 29: 1985-1993 (2019) Article DOI: 10.1016/j.bmcl.2019.05.024 BindingDB Entry DOI: 10.7270/Q29P355R
					More data for this Ligand-Target Pair
Cyclin-Y (Homo sapiens)	BDBM50535581 (CHEMBL4527767) Show SMILES OC(=O)C(F)(F)F.CN(C)C\C=C\C(=O)Nc1cccc(c1)S(=O)(=O)N1CCC(CC1)NC(=O)c1n[nH]cc1NC(=O)c1c(F)cccc1F Show InChI InChI=1S/C28H31F2N7O5S/c1-36(2)13-5-10-24(38)32-19-6-3-7-20(16-19)43(41,42)37-14-11-18(12-15-37)33-28(40)26-23(17-31-35-26)34-27(39)25-21(29)8-4-9-22(25)30/h3-10,16-18H,11-15H2,1-2H3,(H,31,35)(H,32,38)(H,33,40)(H,34,39)/b10-5+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged human full length CDK14/cyclin Y (2 to end residues) preincubated for 30 mins by Lantha screen eu binding assay				Bioorg Med Chem Lett 29: 1985-1993 (2019) Article DOI: 10.1016/j.bmcl.2019.05.024 BindingDB Entry DOI: 10.7270/Q29P355R
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50179493 (CHEMBL3814694) Show SMILES Fc1ccc(Nc2ncnc3ccc(NC(=S)NCCN4CCCCC4)cc23)cc1Cl Show InChI InChI=1S/C22H24ClFN6S/c23-18-13-16(4-6-19(18)24)28-21-17-12-15(5-7-20(17)26-14-27-21)29-22(31)25-8-11-30-9-2-1-3-10-30/h4-7,12-14H,1-3,8-11H2,(H2,25,29,31)(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50179505 (CHEMBL3814846) Show SMILES CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C23H18ClFN4O2/c1-14(30)28-17-5-7-21-19(10-17)23(27-13-26-21)29-18-6-8-22(20(24)11-18)31-12-15-3-2-4-16(25)9-15/h2-11,13H,12H2,1H3,(H,28,30)(H,26,27,29)	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	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50179499 (CHEMBL3814816) Show SMILES Clc1ccc(Nc2ncnc3ccc(NC(=S)NCCN4CCOCC4)cc23)cc1 Show InChI InChI=1S/C21H23ClN6OS/c22-15-1-3-16(4-2-15)26-20-18-13-17(5-6-19(18)24-14-25-20)27-21(30)23-7-8-28-9-11-29-12-10-28/h1-6,13-14H,7-12H2,(H2,23,27,30)(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
Cyclin-Y (Homo sapiens)	BDBM50535570 (CHEMBL4579572) Show SMILES OC(=O)C(F)(F)F.COc1ccc(Cl)c(C(=O)Nc2c[nH]nc2C(=O)NC2CCN(CC2)S(=O)(=O)c2cccc(NC(=O)\C=C\CN(C)C)c2)c1Cl Show InChI InChI=1S/C29H33Cl2N7O6S/c1-37(2)13-5-8-24(39)33-19-6-4-7-20(16-19)45(42,43)38-14-11-18(12-15-38)34-29(41)27-22(17-32-36-27)35-28(40)25-21(30)9-10-23(44-3)26(25)31/h4-10,16-18H,11-15H2,1-3H3,(H,32,36)(H,33,39)(H,34,41)(H,35,40)/b8-5+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged human full length CDK14/cyclin Y (2 to end residues) preincubated for 30 mins by Lantha screen eu binding assay				Bioorg Med Chem Lett 29: 1985-1993 (2019) Article DOI: 10.1016/j.bmcl.2019.05.024 BindingDB Entry DOI: 10.7270/Q29P355R
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50179497 (CHEMBL3814182) Show SMILES Clc1ccc(Nc2ncnc3ccc(NC(=S)NCCN4CCOCC4)cc23)cc1Cl Show InChI InChI=1S/C21H22Cl2N6OS/c22-17-3-1-15(12-18(17)23)27-20-16-11-14(2-4-19(16)25-13-26-20)28-21(31)24-5-6-29-7-9-30-10-8-29/h1-4,11-13H,5-10H2,(H2,24,28,31)(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
Cyclin-Y (Homo sapiens)	BDBM50535545 (CHEMBL4519165) Show SMILES OC(=O)C(F)(F)F.Clc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCN(Cc2ccc(NC(=O)C=C)cc2)CC1 Show InChI InChI=1S/C26H26Cl2N6O3/c1-2-22(35)30-17-8-6-16(7-9-17)15-34-12-10-18(11-13-34)31-26(37)24-21(14-29-33-24)32-25(36)23-19(27)4-3-5-20(23)28/h2-9,14,18H,1,10-13,15H2,(H,29,33)(H,30,35)(H,31,37)(H,32,36)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged human full length CDK14/cyclin Y (2 to end residues) preincubated for 30 mins by Lantha screen eu binding assay				Bioorg Med Chem Lett 29: 1985-1993 (2019) Article DOI: 10.1016/j.bmcl.2019.05.024 BindingDB Entry DOI: 10.7270/Q29P355R
					More data for this Ligand-Target Pair
Cyclin-Y (Homo sapiens)	BDBM50535534 (CHEMBL4456492) Show SMILES OC(=O)C(F)(F)F.CCC(=O)Nc1cccc(c1)S(=O)(=O)N1CCC(CC1)NC(=O)c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C25H26Cl2N6O5S/c1-2-21(34)29-16-5-3-6-17(13-16)39(37,38)33-11-9-15(10-12-33)30-25(36)23-20(14-28-32-23)31-24(35)22-18(26)7-4-8-19(22)27/h3-8,13-15H,2,9-12H2,1H3,(H,28,32)(H,29,34)(H,30,36)(H,31,35)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged human full length CDK14/cyclin Y (2 to end residues) preincubated for 30 mins by Lantha screen eu binding assay				Bioorg Med Chem Lett 29: 1985-1993 (2019) Article DOI: 10.1016/j.bmcl.2019.05.024 BindingDB Entry DOI: 10.7270/Q29P355R
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50179503 (CHEMBL3814812) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=S)NCCCN5CCOCC5)cc34)cc2Cl)c1 Show InChI InChI=1S/C29H30ClFN6O2S/c30-25-17-23(6-8-27(25)39-18-20-3-1-4-21(31)15-20)35-28-24-16-22(5-7-26(24)33-19-34-28)36-29(40)32-9-2-10-37-11-13-38-14-12-37/h1,3-8,15-17,19H,2,9-14,18H2,(H2,32,36,40)(H,33,34,35)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of His-tagged human recombinant Her2 (676 to 1255 residues) expressed in baculovirus by fluorescence based assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
Cyclin-Y (Homo sapiens)	BDBM50535572 (CHEMBL4563705) Show SMILES OC(=O)C(F)(F)F.COc1ccccc1CC(=O)Nc1c[nH]nc1C(=O)NC1CCN(CC1)S(=O)(=O)c1cccc(NC(=O)\C=C\CN(C)C)c1 Show InChI InChI=1S/C30H37N7O6S/c1-36(2)15-7-12-27(38)32-23-9-6-10-24(19-23)44(41,42)37-16-13-22(14-17-37)33-30(40)29-25(20-31-35-29)34-28(39)18-21-8-4-5-11-26(21)43-3/h4-12,19-20,22H,13-18H2,1-3H3,(H,31,35)(H,32,38)(H,33,40)(H,34,39)/b12-7+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged human full length CDK14/cyclin Y (2 to end residues) preincubated for 30 mins by Lantha screen eu binding assay				Bioorg Med Chem Lett 29: 1985-1993 (2019) Article DOI: 10.1016/j.bmcl.2019.05.024 BindingDB Entry DOI: 10.7270/Q29P355R
					More data for this Ligand-Target Pair
Cyclin-Y (Homo sapiens)	BDBM50535585 (CHEMBL4459422) Show SMILES OC(=O)C(F)(F)F.CN(C)C\C=C\C(=O)Nc1ccc(CN2CCC(CC2)NC(=O)c2n[nH]cc2NC(=O)c2c(Cl)cccc2Cl)cc1 Show InChI InChI=1S/C29H33Cl2N7O3/c1-37(2)14-4-7-25(39)33-20-10-8-19(9-11-20)18-38-15-12-21(13-16-38)34-29(41)27-24(17-32-36-27)35-28(40)26-22(30)5-3-6-23(26)31/h3-11,17,21H,12-16,18H2,1-2H3,(H,32,36)(H,33,39)(H,34,41)(H,35,40)/b7-4+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged human full length CDK14/cyclin Y (2 to end residues) preincubated for 30 mins by Lantha screen eu binding assay				Bioorg Med Chem Lett 29: 1985-1993 (2019) Article DOI: 10.1016/j.bmcl.2019.05.024 BindingDB Entry DOI: 10.7270/Q29P355R
					More data for this Ligand-Target Pair
Cyclin-Y (Homo sapiens)	BDBM50535533 (CHEMBL4555069) Show SMILES OC(=O)C(F)(F)F.CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(NC(=O)c2n[nH]cc2NC(=O)c2c(Cl)cccc2Cl)cc1 Show InChI InChI=1S/C30H27Cl2N7O4/c1-39(2)15-5-10-25(40)34-21-7-3-6-18(16-21)28(41)35-19-11-13-20(14-12-19)36-30(43)27-24(17-33-38-27)37-29(42)26-22(31)8-4-9-23(26)32/h3-14,16-17H,15H2,1-2H3,(H,33,38)(H,34,40)(H,35,41)(H,36,43)(H,37,42)/b10-5+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged human full length CDK14/cyclin Y (2 to end residues) preincubated for 30 mins by Lantha screen eu binding assay				Bioorg Med Chem Lett 29: 1985-1993 (2019) Article DOI: 10.1016/j.bmcl.2019.05.024 BindingDB Entry DOI: 10.7270/Q29P355R
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50179506 (CHEMBL3814021) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=O)NCCN5CCCCC5)cc34)cc2Cl)c1 Show InChI InChI=1S/C29H30ClFN6O2/c30-25-17-23(8-10-27(25)39-18-20-5-4-6-21(31)15-20)35-28-24-16-22(7-9-26(24)33-19-34-28)36-29(38)32-11-14-37-12-2-1-3-13-37/h4-10,15-17,19H,1-3,11-14,18H2,(H2,32,36,38)(H,33,34,35)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of His-tagged human recombinant Her2 (676 to 1255 residues) expressed in baculovirus by fluorescence based assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
Cyclin-Y (Homo sapiens)	BDBM50113281 (AT-7519) Show SMILES Clc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCNCC1 Show InChI InChI=1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged human full length CDK14/cyclin Y (2 to end residues) preincubated for 30 mins by Lantha screen eu binding assay				Bioorg Med Chem Lett 29: 1985-1993 (2019) Article DOI: 10.1016/j.bmcl.2019.05.024 BindingDB Entry DOI: 10.7270/Q29P355R
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50179515 (CHEMBL3814882) Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)NCCN4CCCCC4)cc23)c1 Show InChI InChI=1S/C22H25BrN6O/c23-16-5-4-6-17(13-16)27-21-19-14-18(7-8-20(19)25-15-26-21)28-22(30)24-9-12-29-10-2-1-3-11-29/h4-8,13-15H,1-3,9-12H2,(H2,24,28,30)(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
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 KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of EGFR L858R mutant (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-Y (Homo sapiens)	BDBM50535554 (CHEMBL4589122) Show SMILES OC(=O)C(F)(F)F.CN(C)CC\C=C\C(=O)Nc1cccc(c1)N1CCC(CC1)NC(=O)c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C29H33Cl2N7O3/c1-37(2)14-4-3-11-25(39)33-20-7-5-8-21(17-20)38-15-12-19(13-16-38)34-29(41)27-24(18-32-36-27)35-28(40)26-22(30)9-6-10-23(26)31/h3,5-11,17-19H,4,12-16H2,1-2H3,(H,32,36)(H,33,39)(H,34,41)(H,35,40)/b11-3+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged human full length CDK14/cyclin Y (2 to end residues) preincubated for 30 mins by Lantha screen eu binding assay				Bioorg Med Chem Lett 29: 1985-1993 (2019) Article DOI: 10.1016/j.bmcl.2019.05.024 BindingDB Entry DOI: 10.7270/Q29P355R
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50132490 (CHEMBL3633928) Show SMILES NC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C22H17ClFN5O2/c23-18-10-16(5-7-20(18)31-11-13-2-1-3-14(24)8-13)28-21-17-9-15(29-22(25)30)4-6-19(17)26-12-27-21/h1-10,12H,11H2,(H3,25,29,30)(H,26,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of His-tagged human recombinant Her2 (676 to 1255 residues) expressed in baculovirus by fluorescence based assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50453822 (CHEMBL3969370) Show SMILES CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3ccc(NC(=O)c4ccc(NC(=O)C=C)cc4)cc3)nc12 Show InChI InChI=1S/C30H27N7O3/c1-5-26(38)32-20-9-7-19(8-10-20)28(39)33-21-11-13-22(14-12-21)34-30-31-17-25-27(35-30)36(3)24-15-6-18(2)16-23(24)29(40)37(25)4/h5-17H,1H2,2-4H3,(H,32,38)(H,33,39)(H,31,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human Aurora B expressed in baculovirus expression system by Z'LYTE assay				Bioorg Med Chem Lett 27: 4405-4408 (2017) Article DOI: 10.1016/j.bmcl.2017.08.016 BindingDB Entry DOI: 10.7270/Q2WQ06CB
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50179505 (CHEMBL3814846) Show SMILES CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C23H18ClFN4O2/c1-14(30)28-17-5-7-21-19(10-17)23(27-13-26-21)29-18-6-8-22(20(24)11-18)31-12-15-3-2-4-16(25)9-15/h2-11,13H,12H2,1H3,(H,28,30)(H,26,27,29)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of His-tagged human recombinant Her2 (676 to 1255 residues) expressed in baculovirus by fluorescence based assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50179509 (CHEMBL2031296) Show SMILES CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C16H13BrN4O/c1-10(22)20-13-5-6-15-14(8-13)16(19-9-18-15)21-12-4-2-3-11(17)7-12/h2-9H,1H3,(H,20,22)(H,18,19,21)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of EGFR L858R mutant (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50179496 (CHEMBL3813728) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=S)NCCN5CCOCC5)cc34)cc2Cl)c1 Show InChI InChI=1S/C28H28ClFN6O2S/c29-24-16-22(5-7-26(24)38-17-19-2-1-3-20(30)14-19)34-27-23-15-21(4-6-25(23)32-18-33-27)35-28(39)31-8-9-36-10-12-37-13-11-36/h1-7,14-16,18H,8-13,17H2,(H2,31,35,39)(H,32,33,34)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of His-tagged human recombinant Her2 (676 to 1255 residues) expressed in baculovirus by fluorescence based assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50059435 (CHEMBL3393498) Show SMILES CCOC(=O)c1[nH]cc2[C@@H](C3=C(CCCC3=O)Nc12)c1cccc(Oc2nc3ccccc3[nH]2)c1 |r,t:10| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human Aurora B expressed in baculovirus expression system by Z'LYTE assay				Bioorg Med Chem Lett 27: 4405-4408 (2017) Article DOI: 10.1016/j.bmcl.2017.08.016 BindingDB Entry DOI: 10.7270/Q2WQ06CB
					More data for this Ligand-Target Pair

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