Compile Data Set for Download or QSAR

Found 1922 hits with Last Name = 'palmer' 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
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50330987 (2-amino-4-phenyl-8-(pyrrolidin-1-ylmethyl)-5H-inde...) Show SMILES Nc1nc2-c3cc(CN4CCCC4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C22H20N4O/c23-22-24-19(15-6-2-1-3-7-15)18-20(25-22)17-12-14(8-9-16(17)21(18)27)13-26-10-4-5-11-26/h1-3,6-9,12H,4-5,10-11,13H2,(H2,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at adenosine A2A receptor				J Med Chem 53: 8104-15 (2010) Checked by Author Article DOI: 10.1021/jm100971t BindingDB Entry DOI: 10.7270/Q2VT1SCG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50330987 (2-amino-4-phenyl-8-(pyrrolidin-1-ylmethyl)-5H-inde...) Show SMILES Nc1nc2-c3cc(CN4CCCC4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C22H20N4O/c23-22-24-19(15-6-2-1-3-7-15)18-20(25-22)17-12-14(8-9-16(17)21(18)27)13-26-10-4-5-11-26/h1-3,6-9,12H,4-5,10-11,13H2,(H2,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at adenosine A1 receptor				J Med Chem 53: 8104-15 (2010) Checked by Author Article DOI: 10.1021/jm100971t BindingDB Entry DOI: 10.7270/Q2VT1SCG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3585 (4-[(3-Bromophenyl)amino]benzo[g]quinazoline | Benz...) Show SMILES Brc1cccc(Nc2ncnc3cc4ccccc4cc23)c1 Show InChI InChI=1S/C18H12BrN3/c19-14-6-3-7-15(10-14)22-18-16-8-12-4-1-2-5-13(12)9-17(16)20-11-21-18/h1-11H,(H,20,21,22)	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	0.00300	n/a	n/a	n/a	n/a	7.4	22
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 39: 918-28 (1996) Article DOI: 10.1021/jm950692f BindingDB Entry DOI: 10.7270/Q2222RZB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3604 (4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrido[3,4-d]p...) Show SMILES CN(C)c1cc2c(Nc3cccc(Br)c3)ncnc2cn1 Show InChI InChI=1S/C15H14BrN5/c1-21(2)14-7-12-13(8-17-14)18-9-19-15(12)20-11-5-3-4-10(16)6-11/h3-9H,1-2H3,(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	0.00600	n/a	n/a	n/a	n/a	7.4	22
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 39: 1823-35 (1996) Article DOI: 10.1021/jm9508651 BindingDB Entry DOI: 10.7270/Q2X928GF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3603 (4-N-(3-bromophenyl)-6-N-methylpyrido[3,4-d]pyrimid...) Show SMILES CNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1 Show InChI InChI=1S/C14H12BrN5/c1-16-13-6-11-12(7-17-13)18-8-19-14(11)20-10-4-2-3-9(15)5-10/h2-8H,1H3,(H,16,17)(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.00800	n/a	n/a	n/a	n/a	7.4	22
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 39: 1823-35 (1996) Article DOI: 10.1021/jm9508651 BindingDB Entry DOI: 10.7270/Q2X928GF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3570 (8-[(3-Bromophenyl)amino]-1H-imidazo[4,5-g]quinazol...) Show SMILES Brc1cccc(Nc2ncnc3cc4nc[nH]c4cc23)c1 Show InChI InChI=1S/C15H10BrN5/c16-9-2-1-3-10(4-9)21-15-11-5-13-14(19-7-18-13)6-12(11)17-8-20-15/h1-8H,(H,18,19)(H,17,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.00800	n/a	n/a	n/a	n/a	7.4	22
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 39: 918-28 (1996) Article DOI: 10.1021/jm950692f BindingDB Entry DOI: 10.7270/Q2222RZB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3572 (8-[(3-Bromophenyl)amino]-1-methyl-1H-imidazo[4,5-g...) Show SMILES Cn1cnc2cc3ncnc(Nc4cccc(Br)c4)c3cc12 Show InChI InChI=1S/C16H12BrN5/c1-22-9-20-14-7-13-12(6-15(14)22)16(19-8-18-13)21-11-4-2-3-10(17)5-11/h2-9H,1H3,(H,18,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0100	n/a	n/a	n/a	n/a	7.4	22
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 39: 918-28 (1996) Article DOI: 10.1021/jm950692f BindingDB Entry DOI: 10.7270/Q2222RZB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3574 (8-[(3-Bromophenyl)amino]-3-methyl-3H-imidazo[4,5-g...) Show SMILES Cn1cnc2cc3c(Nc4cccc(Br)c4)ncnc3cc12 Show InChI InChI=1S/C16H12BrN5/c1-22-9-20-14-6-12-13(7-15(14)22)18-8-19-16(12)21-11-4-2-3-10(17)5-11/h2-9H,1H3,(H,18,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0250	n/a	n/a	n/a	n/a	7.4	22
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 39: 918-28 (1996) Article DOI: 10.1021/jm950692f BindingDB Entry DOI: 10.7270/Q2222RZB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3032 (CHEMBL1204168 | CHEMBL29197 | N-(3-bromophenyl)-6,...) Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC Show InChI InChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0290	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description Inhibitory potency against isolated epidermal growth factor receptor (EGFR) from human A431 carcinoma cells				J Med Chem 39: 1823-35 (1996) Article DOI: 10.1021/jm9508651 BindingDB Entry DOI: 10.7270/Q2X928GF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3595 (4-N-(3-bromophenyl)-7-N,7-N-dimethylpyrido[4,3-d]p...) Show SMILES CN(C)c1cc2ncnc(Nc3cccc(Br)c3)c2cn1 Show InChI InChI=1S/C15H14BrN5/c1-21(2)14-7-13-12(8-17-14)15(19-9-18-13)20-11-5-3-4-10(16)6-11/h3-9H,1-2H3,(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	0.0910	n/a	n/a	n/a	n/a	7.4	22
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 39: 1823-35 (1996) Article DOI: 10.1021/jm9508651 BindingDB Entry DOI: 10.7270/Q2X928GF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50049566 (CHEMBL55729 | Quinazolin-7-ylamine) Show SMILES Nc1ccc2cncnc2c1 Show InChI InChI=1S/C8H7N3/c9-7-2-1-6-4-10-5-11-8(6)3-7/h1-5H,9H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description Inhibitory potency against isolated epidermal growth factor receptor (EGFR) from human A431 carcinoma cells				J Med Chem 39: 1823-35 (1996) Article DOI: 10.1021/jm9508651 BindingDB Entry DOI: 10.7270/Q2X928GF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3600 (4-N-(3-bromophenyl)pyrido[3,4-d]pyrimidine-4,6-dia...) Show SMILES Nc1cc2c(Nc3cccc(Br)c3)ncnc2cn1 Show InChI InChI=1S/C13H10BrN5/c14-8-2-1-3-9(4-8)19-13-10-5-12(15)16-6-11(10)17-7-18-13/h1-7H,(H2,15,16)(H,17,18,19)	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	0.130	n/a	n/a	n/a	n/a	7.4	22
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 39: 1823-35 (1996) Article DOI: 10.1021/jm9508651 BindingDB Entry DOI: 10.7270/Q2X928GF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3594 (4-N-(3-bromophenyl)-7-N-methylpyrido[4,3-d]pyrimid...) Show SMILES CNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1 Show InChI InChI=1S/C14H12BrN5/c1-16-13-6-12-11(7-17-13)14(19-8-18-12)20-10-4-2-3-9(15)5-10/h2-8H,1H3,(H,16,17)(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	0.130	n/a	n/a	n/a	n/a	7.4	22
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 39: 1823-35 (1996) Article DOI: 10.1021/jm9508651 BindingDB Entry DOI: 10.7270/Q2X928GF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50077239 (CHEMBL52913 | N-[4-(3-Chloro-phenylamino)-quinazol...) Show SMILES Clc1cccc(Nc2ncnc3cc(NC(=O)C=C)ccc23)c1 Show InChI InChI=1S/C17H13ClN4O/c1-2-16(23)21-13-6-7-14-15(9-13)19-10-20-17(14)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)	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	0.25	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isolated epidermal growth factor receptor (EGFR)				J Med Chem 42: 1803-15 (1999) Article DOI: 10.1021/jm9806603 BindingDB Entry DOI: 10.7270/Q2B56HZG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3571 (8-[(3-Bromophenyl)amino]-2-methyl-1H-imidazo[4,5-g...) Show SMILES Cc1nc2cc3ncnc(Nc4cccc(Br)c4)c3cc2[nH]1 Show InChI InChI=1S/C16H12BrN5/c1-9-20-14-6-12-13(7-15(14)21-9)18-8-19-16(12)22-11-4-2-3-10(17)5-11/h2-8H,1H3,(H,20,21)(H,18,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.290	n/a	n/a	n/a	n/a	7.4	22
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 39: 918-28 (1996) Article DOI: 10.1021/jm950692f BindingDB Entry DOI: 10.7270/Q2222RZB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3581 (8-[(3-Bromophenyl)amino]-1H-pyrazolo[3,4-g]quinazo...) Show SMILES Brc1cccc(Nc2ncnc3cc4cn[nH]c4cc23)c1 Show InChI InChI=1S/C15H10BrN5/c16-10-2-1-3-11(5-10)20-15-12-6-13-9(7-19-21-13)4-14(12)17-8-18-15/h1-8H,(H,19,21)(H,17,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.340	n/a	n/a	n/a	n/a	7.4	22
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 39: 918-28 (1996) Article DOI: 10.1021/jm950692f BindingDB Entry DOI: 10.7270/Q2222RZB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3624 (5-[(3-Bromophenyl)amino]-1-methylpyrazolo[4,3-g]-q...) Show SMILES Cn1ncc2cc3c(Nc4cccc(Br)c4)ncnc3cc12 Show InChI InChI=1S/C16H12BrN5/c1-22-15-7-14-13(5-10(15)8-20-22)16(19-9-18-14)21-12-4-2-3-11(17)6-12/h2-9H,1H3,(H,18,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.370	n/a	n/a	n/a	n/a	7.4	25
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 1519-29 (1997) Article DOI: 10.1021/jm960789h BindingDB Entry DOI: 10.7270/Q2SJ1HRQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50077247 (CHEMBL51741 | N-[4-(6-Bromo-2,3-dihydro-indol-1-yl...) Show SMILES Brc1ccc2CCN(c2c1)c1ncnc2ccc(NC(=O)C=C)cc12 Show InChI InChI=1S/C19H15BrN4O/c1-2-18(25)23-14-5-6-16-15(10-14)19(22-11-21-16)24-8-7-12-3-4-13(20)9-17(12)24/h2-6,9-11H,1,7-8H2,(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isolated epidermal growth factor receptor (EGFR)				J Med Chem 42: 1803-15 (1999) Article DOI: 10.1021/jm9806603 BindingDB Entry DOI: 10.7270/Q2B56HZG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50077244 (CHEMBL31815 | N-(4-m-Tolylamino-quinazolin-6-yl)-a...) Show SMILES Cc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1 Show InChI InChI=1S/C18H16N4O/c1-3-17(23)21-14-7-8-16-15(10-14)18(20-11-19-16)22-13-6-4-5-12(2)9-13/h3-11H,1H2,2H3,(H,21,23)(H,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.420	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isolated epidermal growth factor receptor (EGFR)				J Med Chem 42: 1803-15 (1999) Article DOI: 10.1021/jm9806603 BindingDB Entry DOI: 10.7270/Q2B56HZG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3583 (5-[(3-Bromophenyl)amino]-1H-pyrrolo[3,2-g]quinazol...) Show SMILES Brc1cccc(Nc2ncnc3cc4[nH]ccc4cc23)c1 Show InChI InChI=1S/C16H11BrN4/c17-11-2-1-3-12(7-11)21-16-13-6-10-4-5-18-14(10)8-15(13)19-9-20-16/h1-9,18H,(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.440	n/a	n/a	n/a	n/a	7.4	22
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 39: 918-28 (1996) Article DOI: 10.1021/jm950692f BindingDB Entry DOI: 10.7270/Q2222RZB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3582 (5-[(3-Bromophenyl)amino]-1H-pyrazolo[4,3-g]quinazo...) Show SMILES Brc1cccc(Nc2ncnc3cc4[nH]ncc4cc23)c1 Show InChI InChI=1S/C15H10BrN5/c16-10-2-1-3-11(5-10)20-15-12-4-9-7-19-21-13(9)6-14(12)17-8-18-15/h1-8H,(H,19,21)(H,17,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.440	n/a	n/a	n/a	n/a	7.4	22
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 39: 918-28 (1996) Article DOI: 10.1021/jm950692f BindingDB Entry DOI: 10.7270/Q2222RZB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3582 (5-[(3-Bromophenyl)amino]-1H-pyrazolo[4,3-g]quinazo...) Show SMILES Brc1cccc(Nc2ncnc3cc4[nH]ncc4cc23)c1 Show InChI InChI=1S/C15H10BrN5/c16-10-2-1-3-11(5-10)20-15-12-4-9-7-19-21-13(9)6-14(12)17-8-18-15/h1-8H,(H,19,21)(H,17,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.440	n/a	n/a	n/a	n/a	7.4	25
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 1519-29 (1997) Article DOI: 10.1021/jm960789h BindingDB Entry DOI: 10.7270/Q2SJ1HRQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3583 (5-[(3-Bromophenyl)amino]-1H-pyrrolo[3,2-g]quinazol...) Show SMILES Brc1cccc(Nc2ncnc3cc4[nH]ccc4cc23)c1 Show InChI InChI=1S/C16H11BrN4/c17-11-2-1-3-12(7-11)21-16-13-6-10-4-5-18-14(10)8-15(13)19-9-20-16/h1-9,18H,(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.440	n/a	n/a	n/a	n/a	7.4	25
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 1519-29 (1997) Article DOI: 10.1021/jm960789h BindingDB Entry DOI: 10.7270/Q2SJ1HRQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50077233 (CHEMBL443523 | N-(4-(3-bromophenylamino) quinazoli...) Show SMILES Brc1cccc(Nc2ncnc3cc(NC(=O)C=C)ccc23)c1 Show InChI InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-14-15(9-13)19-10-20-17(14)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)	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	0.450	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isolated epidermal growth factor receptor (EGFR)				J Med Chem 42: 1803-15 (1999) Article DOI: 10.1021/jm9806603 BindingDB Entry DOI: 10.7270/Q2B56HZG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50077236 (CHEMBL54088 | N-(4-m-Tolylamino-pyrido[3,4-d]pyrim...) Show SMILES Cc1cccc(Nc2ncnc3cnc(NC(=O)C=C)cc23)c1 Show InChI InChI=1S/C17H15N5O/c1-3-16(23)22-15-8-13-14(9-18-15)19-10-20-17(13)21-12-6-4-5-11(2)7-12/h3-10H,1H2,2H3,(H,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	0.480	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isolated epidermal growth factor receptor (EGFR)				J Med Chem 42: 1803-15 (1999) Article DOI: 10.1021/jm9806603 BindingDB Entry DOI: 10.7270/Q2B56HZG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50077246 (CHEMBL49986 | N-[4-(3-Bromo-phenylamino)-pyrido[4,...) Show SMILES Brc1cccc(Nc2ncnc3cc(NC(=O)C=C)ncc23)c1 Show InChI InChI=1S/C16H12BrN5O/c1-2-15(23)22-14-7-13-12(8-18-14)16(20-9-19-13)21-11-5-3-4-10(17)6-11/h2-9H,1H2,(H,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	0.540	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isolated epidermal growth factor receptor (EGFR)				J Med Chem 42: 1803-15 (1999) Article DOI: 10.1021/jm9806603 BindingDB Entry DOI: 10.7270/Q2B56HZG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50077238 (CHEMBL280757 | N-[4-(3-Bromo-4-fluoro-phenylamino)...) Show SMILES Fc1ccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)cc1Br Show InChI InChI=1S/C17H12BrFN4O/c1-2-16(24)22-10-4-6-15-12(7-10)17(21-9-20-15)23-11-3-5-14(19)13(18)8-11/h2-9H,1H2,(H,22,24)(H,20,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.690	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isolated epidermal growth factor receptor (EGFR)				J Med Chem 42: 1803-15 (1999) Article DOI: 10.1021/jm9806603 BindingDB Entry DOI: 10.7270/Q2B56HZG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4567 (4-anilinoquinazoline deriv. 2 | BMC163482 Compound...) Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1 Show InChI InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isolated epidermal growth factor receptor (EGFR)				J Med Chem 42: 1803-15 (1999) Article DOI: 10.1021/jm9806603 BindingDB Entry DOI: 10.7270/Q2B56HZG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50077231 (CHEMBL54091 | N-[4-(3-Bromo-4-fluoro-phenylamino)-...) Show SMILES Fc1ccc(Nc2ncnc3cnc(NC(=O)C=C)cc23)cc1Br Show InChI InChI=1S/C16H11BrFN5O/c1-2-15(24)23-14-6-10-13(7-19-14)20-8-21-16(10)22-9-3-4-12(18)11(17)5-9/h2-8H,1H2,(H,19,23,24)(H,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	0.720	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isolated epidermal growth factor receptor (EGFR)				J Med Chem 42: 1803-15 (1999) Article DOI: 10.1021/jm9806603 BindingDB Entry DOI: 10.7270/Q2B56HZG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3642 (2-[({4-[(3-bromophenyl)amino]-8H-pyrrolo[3,2-g]qui...) Show SMILES CN(CC(O)=O)Cc1c[nH]c2cc3ncnc(Nc4cccc(Br)c4)c3cc12 Show InChI InChI=1S/C20H18BrN5O2/c1-26(10-19(27)28)9-12-8-22-17-7-18-16(6-15(12)17)20(24-11-23-18)25-14-4-2-3-13(21)5-14/h2-8,11,22H,9-10H2,1H3,(H,27,28)(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.720	n/a	n/a	n/a	n/a	7.4	25
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 1519-29 (1997) Article DOI: 10.1021/jm960789h BindingDB Entry DOI: 10.7270/Q2SJ1HRQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50077235 (CHEMBL28418 | N-[4-(3-Chloro-4-fluoro-phenylamino)...) Show SMILES Fc1ccc(Nc2ncnc3ccc(NC(=O)C=C)nc23)cc1Cl Show InChI InChI=1S/C16H11ClFN5O/c1-2-14(24)22-13-6-5-12-15(23-13)16(20-8-19-12)21-9-3-4-11(18)10(17)7-9/h2-8H,1H2,(H,19,20,21)(H,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.75	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isolated epidermal growth factor receptor (EGFR)				J Med Chem 42: 1803-15 (1999) Article DOI: 10.1021/jm9806603 BindingDB Entry DOI: 10.7270/Q2B56HZG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50077242 (CHEMBL31373 | N-[4-(3-Chloro-4-fluoro-phenylamino)...) Show SMILES Fc1ccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)cc1Cl Show InChI InChI=1S/C17H12ClFN4O/c1-2-16(24)22-10-4-6-15-12(7-10)17(21-9-20-15)23-11-3-5-14(19)13(18)8-11/h2-9H,1H2,(H,22,24)(H,20,21,23)	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	0.75	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isolated epidermal growth factor receptor (EGFR)				J Med Chem 42: 1803-15 (1999) Article DOI: 10.1021/jm9806603 BindingDB Entry DOI: 10.7270/Q2B56HZG
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM29589 (Faridak | LBH-589 | LBH-589B | Panobinostat | US10...) Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	0.751	n/a	n/a	n/a	n/a	n/a	n/a
MIDATECH LTD. US Patent					Assay Description The inhibitory activity of panobinostat dissolved in DMSO and that of the HP-β-CD panobinostat adduct (prepared as described in Example 1) were ...				US Patent US10722597 (2020) BindingDB Entry DOI: 10.7270/Q2G44TB8
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50077241 (CHEMBL53555 | N-[4-(3-Chloro-4-fluoro-phenylamino)...) Show SMILES Fc1ccc(Nc2ncnc3cnc(NC(=O)C=C)cc23)cc1Cl Show InChI InChI=1S/C16H11ClFN5O/c1-2-15(24)23-14-6-10-13(7-19-14)20-8-21-16(10)22-9-3-4-12(18)11(17)5-9/h2-8H,1H2,(H,19,23,24)(H,20,21,22)	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	0.770	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isolated epidermal growth factor receptor (EGFR)				J Med Chem 42: 1803-15 (1999) Article DOI: 10.1021/jm9806603 BindingDB Entry DOI: 10.7270/Q2B56HZG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50049567 (CHEMBL53300 | Quinazolin-6-ylamine) Show SMILES Nc1ccc2ncncc2c1 Show InChI InChI=1S/C8H7N3/c9-7-1-2-8-6(3-7)4-10-5-11-8/h1-5H,9H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.790	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description Inhibitory potency against isolated epidermal growth factor receptor (EGFR) from human A431 carcinoma cells				J Med Chem 39: 1823-35 (1996) Article DOI: 10.1021/jm9508651 BindingDB Entry DOI: 10.7270/Q2X928GF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3630 (5-[(3-Bromophenyl)amino]-1-methylpyrrolo[3,2-g]-qu...) Show SMILES Cn1ccc2cc3c(Nc4cccc(Br)c4)ncnc3cc12 Show InChI InChI=1S/C17H13BrN4/c1-22-6-5-11-7-14-15(9-16(11)22)19-10-20-17(14)21-13-4-2-3-12(18)8-13/h2-10H,1H3,(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.4	25
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 1519-29 (1997) Article DOI: 10.1021/jm960789h BindingDB Entry DOI: 10.7270/Q2SJ1HRQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4777 (4-Anilinopyrido[3,4-d]pyrimidine 3 | CHEMBL51659 |...) Show SMILES Brc1cccc(Nc2ncnc3cnc(NC(=O)C=C)cc23)c1 Show InChI InChI=1S/C16H12BrN5O/c1-2-15(23)22-14-7-12-13(8-18-14)19-9-20-16(12)21-11-5-3-4-10(17)6-11/h2-9H,1H2,(H,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	0.910	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isolated epidermal growth factor receptor (EGFR)				J Med Chem 42: 1803-15 (1999) Article DOI: 10.1021/jm9806603 BindingDB Entry DOI: 10.7270/Q2B56HZG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50077237 (CHEMBL53690 | N-[4-(3-Trifluoromethyl-phenylamino)...) Show SMILES FC(F)(F)c1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1 Show InChI InChI=1S/C18H13F3N4O/c1-2-16(26)24-13-6-7-15-14(9-13)17(23-10-22-15)25-12-5-3-4-11(8-12)18(19,20)21/h2-10H,1H2,(H,24,26)(H,22,23,25)	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	0.910	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isolated epidermal growth factor receptor (EGFR)				J Med Chem 42: 1803-15 (1999) Article DOI: 10.1021/jm9806603 BindingDB Entry DOI: 10.7270/Q2B56HZG
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4 (Homo sapiens (Human))	BDBM50191486 (CHEMBL3959248) Show SMILES COCCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C31H33N7O3/c1-37(2)13-7-10-30(39)36-27-17-25-26(18-29(27)41-15-14-40-3)32-21-33-31(25)35-24-11-12-28-23(16-24)19-34-38(28)20-22-8-5-4-6-9-22/h4-12,16-19,21H,13-15,20H2,1-3H3,(H,36,39)(H,32,33,35)/b10-7+	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Irreversible inhibition of GST-tagged ERBB4 (unknown origin) (Gly-259 to Gly-690 residues) expressed in baculovirus infected Sf9 insect cells assesse...				J Med Chem 59: 8103-24 (2016) Article DOI: 10.1021/acs.jmedchem.6b00883 BindingDB Entry DOI: 10.7270/Q2FF3VB3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50191587 (CHEMBL3968417) Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1 Show InChI InChI=1S/C19H18ClFN6O/c1-27(2)7-3-4-18(28)26-17-9-13-16(10-22-17)23-11-24-19(13)25-12-5-6-15(21)14(20)8-12/h3-6,8-11H,7H2,1-2H3,(H,22,26,28)(H,23,24,25)/b4-3+	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	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Irreversible inhibition of full length human ERBB1 autophosphorylation transfected in EGF-stimulated mouse NIH/3T3 cells incubated for 2 hrs followed...				J Med Chem 59: 8103-24 (2016) Article DOI: 10.1021/acs.jmedchem.6b00883 BindingDB Entry DOI: 10.7270/Q2FF3VB3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50077230 (CHEMBL296168 | N-[4-(3-Bromo-phenylamino)-pyrido[3...) Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)nc23)c1 Show InChI InChI=1S/C16H12BrN5O/c1-2-14(23)21-13-7-6-12-15(22-13)16(19-9-18-12)20-11-5-3-4-10(17)8-11/h2-9H,1H2,(H,18,19,20)(H,21,22,23)	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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isolated epidermal growth factor receptor (EGFR)				J Med Chem 42: 1803-15 (1999) Article DOI: 10.1021/jm9806603 BindingDB Entry DOI: 10.7270/Q2B56HZG
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50077231 (CHEMBL54091 | N-[4-(3-Bromo-4-fluoro-phenylamino)-...) Show SMILES Fc1ccc(Nc2ncnc3cnc(NC(=O)C=C)cc23)cc1Br Show InChI InChI=1S/C16H11BrFN5O/c1-2-15(24)23-14-6-10-13(7-19-14)20-8-21-16(10)22-9-3-4-12(18)11(17)5-9/h2-8H,1H2,(H,19,23,24)(H,20,21,22)	PDB MMDB 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
University of Auckland Curated by ChEMBL					Assay Description Inhibition of heregulin-stimulated autophosphorylation of ERBB2 receptor kinase in MDA-MB-453 cells.				J Med Chem 42: 1803-15 (1999) Article DOI: 10.1021/jm9806603 BindingDB Entry DOI: 10.7270/Q2B56HZG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50077234 (CHEMBL53665 | N-[4-(3-Bromo-4-fluoro-phenylamino)-...) Show SMILES Fc1ccc(Nc2ncnc3ccc(NC(=O)C=C)nc23)cc1Br Show InChI InChI=1S/C16H11BrFN5O/c1-2-14(24)22-13-6-5-12-15(23-13)16(20-8-19-12)21-9-3-4-11(18)10(17)7-9/h2-8H,1H2,(H,19,20,21)(H,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isolated epidermal growth factor receptor (EGFR)				J Med Chem 42: 1803-15 (1999) Article DOI: 10.1021/jm9806603 BindingDB Entry DOI: 10.7270/Q2B56HZG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3584 (9-[(3-Bromophenyl)amino]-1H-pyrrolo[2,3-f]quinazol...) Show SMILES Brc1cccc(Nc2ncnc3ccc4cc[nH]c4c23)c1 Show InChI InChI=1S/C16H11BrN4/c17-11-2-1-3-12(8-11)21-16-14-13(19-9-20-16)5-4-10-6-7-18-15(10)14/h1-9,18H,(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.24	n/a	n/a	n/a	n/a	7.4	22
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 39: 918-28 (1996) Article DOI: 10.1021/jm950692f BindingDB Entry DOI: 10.7270/Q2222RZB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3573 (8-[(3-Bromophenyl)amino]-1-[2-(dimethylamino)ethyl...) Show SMILES CN(C)CCn1cnc2cc3ncnc(Nc4cccc(Br)c4)c3cc12 Show InChI InChI=1S/C19H19BrN6/c1-25(2)6-7-26-12-23-17-10-16-15(9-18(17)26)19(22-11-21-16)24-14-5-3-4-13(20)8-14/h3-5,8-12H,6-7H2,1-2H3,(H,21,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.32	n/a	n/a	n/a	n/a	7.4	22
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 39: 918-28 (1996) Article DOI: 10.1021/jm950692f BindingDB Entry DOI: 10.7270/Q2222RZB
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	1.41	n/a	n/a	n/a	n/a	n/a	n/a
MIDATECH LTD. US Patent					Assay Description The inhibitory activity of panobinostat dissolved in DMSO and that of the HP-β-CD panobinostat adduct (prepared as described in Example 1) were ...				US Patent US10722597 (2020) BindingDB Entry DOI: 10.7270/Q2G44TB8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50077245 (CHEMBL297968 | N-(4-m-Tolylamino-quinazolin-7-yl)-...) Show SMILES Cc1cccc(Nc2ncnc3cc(NC(=O)C=C)ccc23)c1 Show InChI InChI=1S/C18H16N4O/c1-3-17(23)21-14-7-8-15-16(10-14)19-11-20-18(15)22-13-6-4-5-12(2)9-13/h3-11H,1H2,2H3,(H,21,23)(H,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isolated epidermal growth factor receptor (EGFR)				J Med Chem 42: 1803-15 (1999) Article DOI: 10.1021/jm9806603 BindingDB Entry DOI: 10.7270/Q2B56HZG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3631 (3-{4-[(3-bromophenyl)amino]-8H-pyrrolo[3,2-g]quina...) Show SMILES OCC(O)Cn1ccc2cc3c(Nc4cccc(Br)c4)ncnc3cc12 Show InChI InChI=1S/C19H17BrN4O2/c20-13-2-1-3-14(7-13)23-19-16-6-12-4-5-24(9-15(26)10-25)18(12)8-17(16)21-11-22-19/h1-8,11,15,25-26H,9-10H2,(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	7.4	25
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 1519-29 (1997) Article DOI: 10.1021/jm960789h BindingDB Entry DOI: 10.7270/Q2SJ1HRQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50077243 (CHEMBL53637 | N-[4-(3-Chloro-phenylamino)-quinazol...) Show SMILES Clc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1 Show InChI InChI=1S/C17H13ClN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)	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	1.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isolated epidermal growth factor receptor (EGFR)				J Med Chem 42: 1803-15 (1999) Article DOI: 10.1021/jm9806603 BindingDB Entry DOI: 10.7270/Q2B56HZG
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM29589 (Faridak | LBH-589 | LBH-589B | Panobinostat | US10...) Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	1.61	n/a	n/a	n/a	n/a	n/a	n/a
MIDATECH LTD. US Patent					Assay Description The inhibitory activity of panobinostat dissolved in DMSO and that of the HP-β-CD panobinostat adduct (prepared as described in Example 1) were ...				US Patent US10722597 (2020) BindingDB Entry DOI: 10.7270/Q2G44TB8
					More data for this Ligand-Target Pair

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