Compile Data Set for Download or QSAR

Found 189 hits with Last Name = 'castelli' and Initial = 'r'   

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
Ephrin type-A receptor 2 (Homo sapiens (Human))	BDBM50551201 (CHEMBL4761556) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)NCC)[C@H](C)CCC(=O)N[C@H](CC(O)=O)Cc1c[nH]c2ccccc12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of biotinylated ephrin-A1-Fc binding to EphA2 (unknown origin)				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112083 BindingDB Entry DOI: 10.7270/Q2X35233
					More data for this Ligand-Target Pair
Ephrin type-A receptor 2 (Homo sapiens (Human))	BDBM50234957 (CHEMBL3735125) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N[C@H](CC(O)=O)Cc1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C36H52N2O4/c1-22(8-13-33(40)38-25(20-34(41)42)18-23-21-37-32-7-5-4-6-27(23)32)29-11-12-30-28-10-9-24-19-26(39)14-16-35(24,2)31(28)15-17-36(29,30)3/h4-7,21-22,24-26,28-31,37,39H,8-20H2,1-3H3,(H,38,40)(H,41,42)/t22-,24-,25+,26-,28+,29-,30+,31+,35+,36-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of biotinylated ephrin-A1-Fc binding to EphA2 (unknown origin)				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112083 BindingDB Entry DOI: 10.7270/Q2X35233
					More data for this Ligand-Target Pair
Ephrin type-A receptor 2 (Homo sapiens (Human))	BDBM50234948 (CHEMBL4078429) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(N)=O)[C@H](C)CCC(=O)N[C@H](CC(O)=O)Cc1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C37H53N3O5/c1-22(8-13-33(41)40-25(20-34(42)43)18-23-21-39-32-7-5-4-6-27(23)32)29-11-12-30-28-10-9-24-19-26(45-35(38)44)14-16-36(24,2)31(28)15-17-37(29,30)3/h4-7,21-22,24-26,28-31,39H,8-20H2,1-3H3,(H2,38,44)(H,40,41)(H,42,43)/t22-,24-,25+,26-,28+,29-,30+,31+,36+,37-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of biotinylated ephrin-A1-Fc binding to EphA2 (unknown origin)				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112083 BindingDB Entry DOI: 10.7270/Q2X35233
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50292422 (CHEMBL4175724) Show SMILES OC1CCCN(Cc2ccc(cc2)C(=O)N\N=C\c2ccc(cc2)[N+]([O-])=O)C1 Show InChI InChI=1S/C20H22N4O4/c25-19-2-1-11-23(14-19)13-16-3-7-17(8-4-16)20(26)22-21-12-15-5-9-18(10-6-15)24(27)28/h3-10,12,19,25H,1-2,11,13-14H2,(H,22,26)/b21-12+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Non-competitive inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition b...				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50292419 (CHEMBL4163724) Show SMILES OC1CCCN(Cc2ccc(cc2)C(=O)N\N=C\c2ccc(Cl)cc2)C1 Show InChI InChI=1S/C20H22ClN3O2/c21-18-9-5-15(6-10-18)12-22-23-20(26)17-7-3-16(4-8-17)13-24-11-1-2-19(25)14-24/h3-10,12,19,25H,1-2,11,13-14H2,(H,23,26)/b22-12+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.76E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Non-competitive inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition b...				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50292536 (CHEMBL4170841) Show SMILES CSc1ccc(\C=N\NC(=O)c2ccc(CN3CCCC(O)C3)cc2)cc1 Show InChI InChI=1S/C21H25N3O2S/c1-27-20-10-6-16(7-11-20)13-22-23-21(26)18-8-4-17(5-9-18)14-24-12-2-3-19(25)15-24/h4-11,13,19,25H,2-3,12,14-15H2,1H3,(H,23,26)/b22-13+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.42E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type A receptor of guinea pig pancreatic membranes				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50292510 (CHEMBL4172314) Show SMILES OC1CCCN(Cc2ccc(cc2)C(=O)N\N=C\c2ccc(cc2)N2CCCCC2)C1 Show InChI InChI=1S/C25H32N4O2/c30-24-5-4-14-28(19-24)18-21-6-10-22(11-7-21)25(31)27-26-17-20-8-12-23(13-9-20)29-15-2-1-3-16-29/h6-13,17,24,30H,1-5,14-16,18-19H2,(H,27,31)/b26-17+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Affinity of compound to Sigma opioid receptor labelled with [3H](+)-3-PPP				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50292423 (CHEMBL4167867) Show SMILES COc1ccc(\C=N\NC(=O)c2ccc(CN3CCCC(O)C3)cc2)cc1 Show InChI InChI=1S/C21H25N3O3/c1-27-20-10-6-16(7-11-20)13-22-23-21(26)18-8-4-17(5-9-18)14-24-12-2-3-19(25)15-24/h4-11,13,19,25H,2-3,12,14-15H2,1H3,(H,23,26)/b22-13+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.15E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Non-competitive inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition b...				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50292442 (CHEMBL4171226) Show SMILES OC1CCCN(Cc2ccc(cc2)C(=O)N\N=C\c2ccc(F)cc2)C1 Show InChI InChI=1S/C20H22FN3O2/c21-18-9-5-15(6-10-18)12-22-23-20(26)17-7-3-16(4-8-17)13-24-11-1-2-19(25)14-24/h3-10,12,19,25H,1-2,11,13-14H2,(H,23,26)/b22-12+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.34E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Non-competitive inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition b...				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50292526 (CHEMBL4164436) Show SMILES OC1CCCN(Cc2ccc(cc2)C(=O)N\N=C\c2ccc(cc2)-n2ccnc2)C1 Show InChI InChI=1S/C23H25N5O2/c29-22-2-1-12-27(16-22)15-19-3-7-20(8-4-19)23(30)26-25-14-18-5-9-21(10-6-18)28-13-11-24-17-28/h3-11,13-14,17,22,29H,1-2,12,15-16H2,(H,26,30)/b25-14+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.11E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Non-competitive inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition b...				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					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	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type EGFR (unknown origin) using fluoresceine-labelled poly-GT peptide as substrate preincubated with enzyme for 3 hrs followed by...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113786 BindingDB Entry DOI: 10.7270/Q2SQ946R
					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	0.320	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type EGFR (unknown origin) using fluoresceine-labelled poly-GT peptide as substrate incubated for 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113786 BindingDB Entry DOI: 10.7270/Q2SQ946R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50521039 (CHEMBL4449681) Show SMILES CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)CO Show InChI InChI=1S/C18H16ClFN4O3/c1-2-27-16-7-14-11(6-15(16)24-17(26)8-25)18(22-9-21-14)23-10-3-4-13(20)12(19)5-10/h3-7,9,25H,2,8H2,1H3,(H,24,26)(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
University of Parma Curated by ChEMBL					Assay Description Inhibition of recombinant human wild type GST-tagged EGFR (668 to 1210 residues) expressed in baculovirus expression system after 1 hr by kinase trac...				Eur J Med Chem 162: 507-524 (2019) Article DOI: 10.1016/j.ejmech.2018.11.029 BindingDB Entry DOI: 10.7270/Q2H41VT4
					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	0.470	n/a	n/a	n/a	n/a	n/a	n/a
University of Parma Curated by ChEMBL					Assay Description Inhibition of recombinant human wild type GST-tagged EGFR (668 to 1210 residues) expressed in baculovirus expression system after 1 hr by kinase trac...				Eur J Med Chem 162: 507-524 (2019) Article DOI: 10.1016/j.ejmech.2018.11.029 BindingDB Entry DOI: 10.7270/Q2H41VT4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50521051 (CHEMBL4439974) Show SMILES CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)COC(C)=O Show InChI InChI=1S/C20H18ClFN4O4/c1-3-29-18-8-16-13(7-17(18)26-19(28)9-30-11(2)27)20(24-10-23-16)25-12-4-5-15(22)14(21)6-12/h4-8,10H,3,9H2,1-2H3,(H,26,28)(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	n/a
University of Parma Curated by ChEMBL					Assay Description Inhibition of recombinant human wild type GST-tagged EGFR (668 to 1210 residues) expressed in baculovirus expression system after 1 hr by kinase trac...				Eur J Med Chem 162: 507-524 (2019) Article DOI: 10.1016/j.ejmech.2018.11.029 BindingDB Entry DOI: 10.7270/Q2H41VT4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50521047 (CHEMBL4530170) Show SMILES CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC(=O)CSc1nnnn1C Show InChI InChI=1S/C20H17ClFN7O3S/c1-3-31-16-8-15-12(7-17(16)32-18(30)9-33-20-26-27-28-29(20)2)19(24-10-23-15)25-11-4-5-14(22)13(21)6-11/h4-8,10H,3,9H2,1-2H3,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
University of Parma Curated by ChEMBL					Assay Description Inhibition of recombinant human wild type GST-tagged EGFR (668 to 1210 residues) expressed in baculovirus expression system after 1 hr by kinase trac...				Eur J Med Chem 162: 507-524 (2019) Article DOI: 10.1016/j.ejmech.2018.11.029 BindingDB Entry DOI: 10.7270/Q2H41VT4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50521041 (CHEMBL4562352) Show SMILES CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC(=O)CSc1cccnc1 Show InChI InChI=1S/C23H18ClFN4O3S/c1-2-31-20-10-19-16(9-21(20)32-22(30)12-33-15-4-3-7-26-11-15)23(28-13-27-19)29-14-5-6-18(25)17(24)8-14/h3-11,13H,2,12H2,1H3,(H,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
University of Parma Curated by ChEMBL					Assay Description Inhibition of wild type EGFR autophosphorylation in human A549 cells by Western blot analysis				Eur J Med Chem 162: 507-524 (2019) Article DOI: 10.1016/j.ejmech.2018.11.029 BindingDB Entry DOI: 10.7270/Q2H41VT4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50029668 (AZD-9291 | Osimertinib | US10085983, Compound AZD-...) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	0.620	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type EGFR (unknown origin) using fluoresceine-labelled poly-GT peptide as substrate preincubated with enzyme for 3 hrs followed by...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113786 BindingDB Entry DOI: 10.7270/Q2SQ946R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50521052 (CHEMBL4526992) Show SMILES CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC(=O)CSc1ncc[nH]1 Show InChI InChI=1S/C21H17ClFN5O3S/c1-2-30-17-9-16-13(8-18(17)31-19(29)10-32-21-24-5-6-25-21)20(27-11-26-16)28-12-3-4-15(23)14(22)7-12/h3-9,11H,2,10H2,1H3,(H,24,25)(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.620	n/a	n/a	n/a	n/a	n/a	n/a
University of Parma Curated by ChEMBL					Assay Description Inhibition of recombinant human wild type GST-tagged EGFR (668 to 1210 residues) expressed in baculovirus expression system after 1 hr by kinase trac...				Eur J Med Chem 162: 507-524 (2019) Article DOI: 10.1016/j.ejmech.2018.11.029 BindingDB Entry DOI: 10.7270/Q2H41VT4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50521048 (CHEMBL4440618) Show SMILES CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC(=O)CCl Show InChI InChI=1S/C18H14Cl2FN3O3/c1-2-26-15-7-14-11(6-16(15)27-17(25)8-19)18(23-9-22-14)24-10-3-4-13(21)12(20)5-10/h3-7,9H,2,8H2,1H3,(H,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.870	n/a	n/a	n/a	n/a	n/a	n/a
University of Parma Curated by ChEMBL					Assay Description Inhibition of recombinant human wild type GST-tagged EGFR (668 to 1210 residues) expressed in baculovirus expression system after 1 hr by kinase trac...				Eur J Med Chem 162: 507-524 (2019) Article DOI: 10.1016/j.ejmech.2018.11.029 BindingDB Entry DOI: 10.7270/Q2H41VT4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50574082 (CHEMBL4866162) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(NCc3ccc(cc3)S(F)(=O)=O)cc2)n1)N1CCN(CC1)C(C)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) using fluoresceine-labelled poly-GT peptide as substrate preincubated with enzyme...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113786 BindingDB Entry DOI: 10.7270/Q2SQ946R
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50035507 (CHEMBL3355722) Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C23H37N5O5/c1-15(2)12-17(14-20(29)28-33)22(31)27-19(13-16-8-4-3-5-9-16)23(32)26-18(21(25)30)10-6-7-11-24/h3-5,8-9,15,17-19,33H,6-7,10-14,24H2,1-2H3,(H2,25,30)(H,26,32)(H,27,31)(H,28,29)/t17-,18+,19+/m1/s1	PDB MMDB Reactome pathway 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
University Medical Center Groningen Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP12 catalytic domain Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 fluorogenic substrate				Bioorg Med Chem 23: 192-202 (2014) Article DOI: 10.1016/j.bmc.2014.11.013 BindingDB Entry DOI: 10.7270/Q26Q1ZVW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50574082 (CHEMBL4866162) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(NCc3ccc(cc3)S(F)(=O)=O)cc2)n1)N1CCN(CC1)C(C)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) using fluoresceine-labelled poly-GT peptide as substrate preincubated with enzyme...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113786 BindingDB Entry DOI: 10.7270/Q2SQ946R
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50029668 (AZD-9291 | Osimertinib | US10085983, Compound AZD-...) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type EGFR (unknown origin) using fluoresceine-labelled poly-GT peptide as substrate incubated for 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113786 BindingDB Entry DOI: 10.7270/Q2SQ946R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50521047 (CHEMBL4530170) Show SMILES CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC(=O)CSc1nnnn1C Show InChI InChI=1S/C20H17ClFN7O3S/c1-3-31-16-8-15-12(7-17(16)32-18(30)9-33-20-26-27-28-29(20)2)19(24-10-23-15)25-11-4-5-14(22)13(21)6-11/h4-8,10H,3,9H2,1-2H3,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Parma Curated by ChEMBL					Assay Description Inhibition of wild type EGFR autophosphorylation in human A549 cells by Western blot analysis				Eur J Med Chem 162: 507-524 (2019) Article DOI: 10.1016/j.ejmech.2018.11.029 BindingDB Entry DOI: 10.7270/Q2H41VT4
					More data for this Ligand-Target Pair
Matrix metalloproteinase-17 (Homo sapiens (Human))	BDBM50035507 (CHEMBL3355722) Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C23H37N5O5/c1-15(2)12-17(14-20(29)28-33)22(31)27-19(13-16-8-4-3-5-9-16)23(32)26-18(21(25)30)10-6-7-11-24/h3-5,8-9,15,17-19,33H,6-7,10-14,24H2,1-2H3,(H2,25,30)(H,26,32)(H,27,31)(H,28,29)/t17-,18+,19+/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
University Medical Center Groningen Curated by ChEMBL					Assay Description Inhibition of human recombinant ADAM17 using Mca-PLAQAV-Dpa-RSSSR-NH2				Bioorg Med Chem 23: 192-202 (2014) Article DOI: 10.1016/j.bmc.2014.11.013 BindingDB Entry DOI: 10.7270/Q26Q1ZVW
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type A receptor of guinea pig pancreatic membranes				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50574076 (CHEMBL4855850) Show SMILES FS(=O)(=O)c1ccc(CN2CCN(CC2)c2nc(Nc3cc([nH]n3)C3CC3)cc(n2)C(=O)NCC#C)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) using fluoresceine-labelled poly-GT peptide as substrate preincubated with enzyme...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113786 BindingDB Entry DOI: 10.7270/Q2SQ946R
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50521048 (CHEMBL4440618) Show SMILES CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC(=O)CCl Show InChI InChI=1S/C18H14Cl2FN3O3/c1-2-26-15-7-14-11(6-16(15)27-17(25)8-19)18(23-9-22-14)24-10-3-4-13(21)12(20)5-10/h3-7,9H,2,8H2,1H3,(H,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
University of Parma Curated by ChEMBL					Assay Description Inhibition of wild type EGFR autophosphorylation in human A549 cells by Western blot analysis				Eur J Med Chem 162: 507-524 (2019) Article DOI: 10.1016/j.ejmech.2018.11.029 BindingDB Entry DOI: 10.7270/Q2H41VT4
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50035507 (CHEMBL3355722) Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C23H37N5O5/c1-15(2)12-17(14-20(29)28-33)22(31)27-19(13-16-8-4-3-5-9-16)23(32)26-18(21(25)30)10-6-7-11-24/h3-5,8-9,15,17-19,33H,6-7,10-14,24H2,1-2H3,(H2,25,30)(H,26,32)(H,27,31)(H,28,29)/t17-,18+,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
University Medical Center Groningen Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP2 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 fluorogenic substrate				Bioorg Med Chem 23: 192-202 (2014) Article DOI: 10.1016/j.bmc.2014.11.013 BindingDB Entry DOI: 10.7270/Q26Q1ZVW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50521050 (CHEMBL4572315) Show SMILES CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC(=O)CSc1nccn1C Show InChI InChI=1S/C22H19ClFN5O3S/c1-3-31-18-10-17-14(9-19(18)32-20(30)11-33-22-25-6-7-29(22)2)21(27-12-26-17)28-13-4-5-16(24)15(23)8-13/h4-10,12H,3,11H2,1-2H3,(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
University of Parma Curated by ChEMBL					Assay Description Inhibition of wild type EGFR autophosphorylation in human A549 cells by Western blot analysis				Eur J Med Chem 162: 507-524 (2019) Article DOI: 10.1016/j.ejmech.2018.11.029 BindingDB Entry DOI: 10.7270/Q2H41VT4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50521043 (CHEMBL4556799) Show SMILES CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC(=O)CSc1nc2ccccc2n1C Show InChI InChI=1S/C26H21ClFN5O3S/c1-3-35-22-12-20-16(25(30-14-29-20)31-15-8-9-18(28)17(27)10-15)11-23(22)36-24(34)13-37-26-32-19-6-4-5-7-21(19)33(26)2/h4-12,14H,3,13H2,1-2H3,(H,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
University of Parma Curated by ChEMBL					Assay Description Inhibition of wild type EGFR autophosphorylation in human A549 cells by Western blot analysis				Eur J Med Chem 162: 507-524 (2019) Article DOI: 10.1016/j.ejmech.2018.11.029 BindingDB Entry DOI: 10.7270/Q2H41VT4
					More data for this Ligand-Target Pair
Monoglyceride lipase (Rattus norvegicus (Rat))	BDBM50514172 (CHEMBL4536072) Show SMILES O=c1n(NCCCCCNn2sc3ccccc3c2=O)sc2ccccc12 Show InChI InChI=1S/C19H20N4O2S2/c24-18-14-8-2-4-10-16(14)26-22(18)20-12-6-1-7-13-21-23-19(25)15-9-3-5-11-17(15)27-23/h2-5,8-11,20-21H,1,6-7,12-13H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Inhibition of recombinant rat MGL expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by substrate ad...				J Med Chem 63: 1261-1280 (2020) Article DOI: 10.1021/acs.jmedchem.9b01679 BindingDB Entry DOI: 10.7270/Q2377D2G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50185140 (AP-26113 | Brigatinib | US11248003, Example Brigat...) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1 Show InChI InChI=1S/C29H39ClN7O2P/c1-35-15-17-37(18-16-35)21-11-13-36(14-12-21)22-9-10-24(26(19-22)39-2)33-29-31-20-23(30)28(34-29)32-25-7-5-6-8-27(25)40(3,4)38/h5-10,19-21H,11-18H2,1-4H3,(H2,31,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) using fluoresceine-labelled poly-GT peptide as substrate preincubated with enzyme...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113786 BindingDB Entry DOI: 10.7270/Q2SQ946R
					More data for this Ligand-Target Pair				3D Structure (crystal)
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50035475 (CHEMBL3355723) Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)c1ccc(F)cc1)C(N)=O |r| Show InChI InChI=1S/C30H40FN5O6/c1-19(2)16-22(18-26(37)36-42)29(40)35-25(17-20-8-4-3-5-9-20)30(41)34-24(27(32)38)10-6-7-15-33-28(39)21-11-13-23(31)14-12-21/h3-5,8-9,11-14,19,22,24-25,42H,6-7,10,15-18H2,1-2H3,(H2,32,38)(H,33,39)(H,34,41)(H,35,40)(H,36,37)/t22-,24+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University Medical Center Groningen Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP2 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 fluorogenic substrate				Bioorg Med Chem 23: 192-202 (2014) Article DOI: 10.1016/j.bmc.2014.11.013 BindingDB Entry DOI: 10.7270/Q26Q1ZVW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50521042 (CHEMBL4530987) Show SMILES CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC(=O)CCc1cccnc1 Show InChI InChI=1S/C24H20ClFN4O3/c1-2-32-21-12-20-17(11-22(21)33-23(31)8-5-15-4-3-9-27-13-15)24(29-14-28-20)30-16-6-7-19(26)18(25)10-16/h3-4,6-7,9-14H,2,5,8H2,1H3,(H,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
University of Parma Curated by ChEMBL					Assay Description Inhibition of wild type EGFR autophosphorylation in human A549 cells by Western blot analysis				Eur J Med Chem 162: 507-524 (2019) Article DOI: 10.1016/j.ejmech.2018.11.029 BindingDB Entry DOI: 10.7270/Q2H41VT4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50521040 (CHEMBL4435699) Show SMILES CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC(=O)C=C Show InChI InChI=1S/C19H15ClFN3O3/c1-3-18(25)27-17-8-12-15(9-16(17)26-4-2)22-10-23-19(12)24-11-5-6-14(21)13(20)7-11/h3,5-10H,1,4H2,2H3,(H,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
University of Parma Curated by ChEMBL					Assay Description Inhibition of wild type EGFR autophosphorylation in human A549 cells by Western blot analysis				Eur J Med Chem 162: 507-524 (2019) Article DOI: 10.1016/j.ejmech.2018.11.029 BindingDB Entry DOI: 10.7270/Q2H41VT4
					More data for this Ligand-Target Pair
Monoglyceride lipase (Rattus norvegicus (Rat))	BDBM50514166 (CHEMBL4448448) Show SMILES O=c1n(NCCCCCCNn2sc3ccccc3c2=O)sc2ccccc12 Show InChI InChI=1S/C20H22N4O2S2/c25-19-15-9-3-5-11-17(15)27-23(19)21-13-7-1-2-8-14-22-24-20(26)16-10-4-6-12-18(16)28-24/h3-6,9-12,21-22H,1-2,7-8,13-14H2	Reactome pathway KEGG 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
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Inhibition of recombinant rat MGL expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by substrate ad...				J Med Chem 63: 1261-1280 (2020) Article DOI: 10.1021/acs.jmedchem.9b01679 BindingDB Entry DOI: 10.7270/Q2377D2G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50185140 (AP-26113 | Brigatinib | US11248003, Example Brigat...) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1 Show InChI InChI=1S/C29H39ClN7O2P/c1-35-15-17-37(18-16-35)21-11-13-36(14-12-21)22-9-10-24(26(19-22)39-2)33-29-31-20-23(30)28(34-29)32-25-7-5-6-8-27(25)40(3,4)38/h5-10,19-21H,11-18H2,1-4H3,(H2,31,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) using fluoresceine-labelled poly-GT peptide as substrate incubated for 1 hr by TR...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113786 BindingDB Entry DOI: 10.7270/Q2SQ946R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Monoglyceride lipase (Rattus norvegicus (Rat))	BDBM50514173 (CHEMBL4463191) Show SMILES O=c1n(NCc2ccccc2)sc2ccccc12 Show InChI InChI=1S/C14H12N2OS/c17-14-12-8-4-5-9-13(12)18-16(14)15-10-11-6-2-1-3-7-11/h1-9,15H,10H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Inhibition of recombinant rat MGL expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by substrate ad...				J Med Chem 63: 1261-1280 (2020) Article DOI: 10.1021/acs.jmedchem.9b01679 BindingDB Entry DOI: 10.7270/Q2377D2G
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50035507 (CHEMBL3355722) Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C23H37N5O5/c1-15(2)12-17(14-20(29)28-33)22(31)27-19(13-16-8-4-3-5-9-16)23(32)26-18(21(25)30)10-6-7-11-24/h3-5,8-9,15,17-19,33H,6-7,10-14,24H2,1-2H3,(H2,25,30)(H,26,32)(H,27,31)(H,28,29)/t17-,18+,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University Medical Center Groningen Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP9 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 fluorogenic substrate				Bioorg Med Chem 23: 192-202 (2014) Article DOI: 10.1016/j.bmc.2014.11.013 BindingDB Entry DOI: 10.7270/Q26Q1ZVW
					More data for this Ligand-Target Pair
Monoglyceride lipase (Rattus norvegicus (Rat))	BDBM50514167 (CHEMBL4560077) Show SMILES O=c1n(CCc2cccc3ccccc23)sc2ccccc12 Show InChI InChI=1S/C19H15NOS/c21-19-17-10-3-4-11-18(17)22-20(19)13-12-15-8-5-7-14-6-1-2-9-16(14)15/h1-11H,12-13H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Inhibition of recombinant rat MGL expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by substrate ad...				J Med Chem 63: 1261-1280 (2020) Article DOI: 10.1021/acs.jmedchem.9b01679 BindingDB Entry DOI: 10.7270/Q2377D2G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50574082 (CHEMBL4866162) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(NCc3ccc(cc3)S(F)(=O)=O)cc2)n1)N1CCN(CC1)C(C)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) using fluoresceine-labelled poly-GT peptide as substrate preincubated with enzyme...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113786 BindingDB Entry DOI: 10.7270/Q2SQ946R
					More data for this Ligand-Target Pair
Matrix metalloproteinase-17 (Homo sapiens (Human))	BDBM50035475 (CHEMBL3355723) Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)c1ccc(F)cc1)C(N)=O |r| Show InChI InChI=1S/C30H40FN5O6/c1-19(2)16-22(18-26(37)36-42)29(40)35-25(17-20-8-4-3-5-9-20)30(41)34-24(27(32)38)10-6-7-15-33-28(39)21-11-13-23(31)14-12-21/h3-5,8-9,11-14,19,22,24-25,42H,6-7,10,15-18H2,1-2H3,(H2,32,38)(H,33,39)(H,34,41)(H,35,40)(H,36,37)/t22-,24+,25+/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
University Medical Center Groningen Curated by ChEMBL					Assay Description Inhibition of human recombinant ADAM17 using Mca-PLAQAV-Dpa-RSSSR-NH2				Bioorg Med Chem 23: 192-202 (2014) Article DOI: 10.1016/j.bmc.2014.11.013 BindingDB Entry DOI: 10.7270/Q26Q1ZVW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50521046 (CHEMBL4437599) Show SMILES CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)COC(=O)c1ccccc1 Show InChI InChI=1S/C25H20ClFN4O4/c1-2-34-22-12-20-17(24(29-14-28-20)30-16-8-9-19(27)18(26)10-16)11-21(22)31-23(32)13-35-25(33)15-6-4-3-5-7-15/h3-12,14H,2,13H2,1H3,(H,31,32)(H,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
University of Parma Curated by ChEMBL					Assay Description Inhibition of wild type EGFR autophosphorylation in human A549 cells by Western blot analysis				Eur J Med Chem 162: 507-524 (2019) Article DOI: 10.1016/j.ejmech.2018.11.029 BindingDB Entry DOI: 10.7270/Q2H41VT4
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50521039 (CHEMBL4449681) Show SMILES CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)CO Show InChI InChI=1S/C18H16ClFN4O3/c1-2-27-16-7-14-11(6-15(16)24-17(26)8-25)18(22-9-21-14)23-10-3-4-13(20)12(19)5-10/h3-7,9,25H,2,8H2,1H3,(H,24,26)(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
University of Parma Curated by ChEMBL					Assay Description Inhibition of wild type EGFR autophosphorylation in human A549 cells by Western blot analysis				Eur J Med Chem 162: 507-524 (2019) Article DOI: 10.1016/j.ejmech.2018.11.029 BindingDB Entry DOI: 10.7270/Q2H41VT4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50521052 (CHEMBL4526992) Show SMILES CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC(=O)CSc1ncc[nH]1 Show InChI InChI=1S/C21H17ClFN5O3S/c1-2-30-17-9-16-13(8-18(17)31-19(29)10-32-21-24-5-6-25-21)20(27-11-26-16)28-12-3-4-15(23)14(22)7-12/h3-9,11H,2,10H2,1H3,(H,24,25)(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
University of Parma Curated by ChEMBL					Assay Description Inhibition of wild type EGFR autophosphorylation in human A549 cells by Western blot analysis				Eur J Med Chem 162: 507-524 (2019) Article DOI: 10.1016/j.ejmech.2018.11.029 BindingDB Entry DOI: 10.7270/Q2H41VT4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50521037 (CHEMBL4558356) Show SMILES CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC(=O)CSc1ncccn1 Show InChI InChI=1S/C22H17ClFN5O3S/c1-2-31-18-10-17-14(9-19(18)32-20(30)11-33-22-25-6-3-7-26-22)21(28-12-27-17)29-13-4-5-16(24)15(23)8-13/h3-10,12H,2,11H2,1H3,(H,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
University of Parma Curated by ChEMBL					Assay Description Inhibition of wild type EGFR autophosphorylation in human A549 cells by Western blot analysis				Eur J Med Chem 162: 507-524 (2019) Article DOI: 10.1016/j.ejmech.2018.11.029 BindingDB Entry DOI: 10.7270/Q2H41VT4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50574082 (CHEMBL4866162) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(NCc3ccc(cc3)S(F)(=O)=O)cc2)n1)N1CCN(CC1)C(C)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type EGFR (unknown origin) using fluoresceine-labelled poly-GT peptide as substrate preincubated with enzyme for 3 hrs followed by...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113786 BindingDB Entry DOI: 10.7270/Q2SQ946R
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 189 total )  |  Next  |  Last  >>

Jump to: