Compile Data Set for Download or QSAR

Found 180 hits with Last Name = 'reyner' and Initial = 'e'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50087082 (CHEMBL417478 | N-[4-(3-Chloro-4-fluoro-phenylamino...) Show SMILES Fc1ccc(Nc2ncnc3cc(\C=C\CCN4CCOCC4)c(NC(=O)C=C)nc23)cc1Cl Show InChI InChI=1S/C24H24ClFN6O2/c1-2-21(33)30-23-16(5-3-4-8-32-9-11-34-12-10-32)13-20-22(31-23)24(28-15-27-20)29-17-6-7-19(26)18(25)14-17/h2-3,5-7,13-15H,1,4,8-12H2,(H,27,28,29)(H,30,31,33)/b5-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by imm...				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50290981 (CHEMBL319452 | PD-163140 | [4-Benzo[1,3]dioxol-5-y...) Show SMILES CCOC(=O)CNC(=O)OC1(OC(=O)C(=C1Cc1cc(OC)c(OC)c(OC)c1)c1ccc2OCOc2c1)c1ccc(OC)cc1 |c:14| Show InChI InChI=1S/C33H33NO12/c1-6-42-28(35)17-34-32(37)46-33(21-8-10-22(38-2)11-9-21)23(13-19-14-26(39-3)30(41-5)27(15-19)40-4)29(31(36)45-33)20-7-12-24-25(16-20)44-18-43-24/h7-12,14-16H,6,13,17-18H2,1-5H3,(H,34,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for human Endothelin A receptor expressed in LtK- cells				Bioorg Med Chem Lett 7: 297-302 (1997) Article DOI: 10.1016/S0960-894X(97)00002-4 BindingDB Entry DOI: 10.7270/Q2B8584G
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50034267 (3-(benzo[d][1,3]dioxol-5-yl)-5-hydroxy-5-(4-methox...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OC)c1)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C28H26O9/c1-31-19-8-6-18(7-9-19)28(30)20(11-16-12-23(32-2)26(34-4)24(13-16)33-3)25(27(29)37-28)17-5-10-21-22(14-17)36-15-35-21/h5-10,12-14,30H,11,15H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for human Endothelin A receptor expressed in LtK- cells				Bioorg Med Chem Lett 7: 297-302 (1997) Article DOI: 10.1016/S0960-894X(97)00002-4 BindingDB Entry DOI: 10.7270/Q2B8584G
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50290983 (3-[4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-phenyl)-5-...) Show SMILES CCOC(=O)CCNC(=O)OC1(OC(=O)C(=C1Cc1cc(OC)c(OC)c(OC)c1)c1ccc2OCOc2c1)c1ccc(OC)cc1 |c:15| Show InChI InChI=1S/C34H35NO12/c1-6-43-29(36)13-14-35-33(38)47-34(22-8-10-23(39-2)11-9-22)24(15-20-16-27(40-3)31(42-5)28(17-20)41-4)30(32(37)46-34)21-7-12-25-26(18-21)45-19-44-25/h7-12,16-18H,6,13-15,19H2,1-5H3,(H,35,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for human Endothelin A receptor expressed in LtK- cells				Bioorg Med Chem Lett 7: 297-302 (1997) Article DOI: 10.1016/S0960-894X(97)00002-4 BindingDB Entry DOI: 10.7270/Q2B8584G
					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	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 a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by imm...				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50290980 (2-[4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-phenyl)-5-...) Show SMILES CCOC(=O)C(CC(C)C)NC(=O)OC1(OC(=O)C(=C1Cc1cc(OC)c(OC)c(OC)c1)c1ccc2OCOc2c1)c1ccc(OC)cc1 |c:18| Show InChI InChI=1S/C37H41NO12/c1-8-46-34(39)27(15-21(2)3)38-36(41)50-37(24-10-12-25(42-4)13-11-24)26(16-22-17-30(43-5)33(45-7)31(18-22)44-6)32(35(40)49-37)23-9-14-28-29(19-23)48-20-47-28/h9-14,17-19,21,27H,8,15-16,20H2,1-7H3,(H,38,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for human Endothelin A receptor expressed in LtK- cells				Bioorg Med Chem Lett 7: 297-302 (1997) Article DOI: 10.1016/S0960-894X(97)00002-4 BindingDB Entry DOI: 10.7270/Q2B8584G
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50290984 (2-[4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-phenyl)-5-...) Show SMILES CCOC(=O)C(NC(=O)OC1(OC(=O)C(=C1Cc1cc(OC)c(OC)c(OC)c1)c1ccc2OCOc2c1)c1ccc(OC)cc1)C(C)C |c:14| Show InChI InChI=1S/C36H39NO12/c1-8-45-34(39)31(20(2)3)37-35(40)49-36(23-10-12-24(41-4)13-11-23)25(15-21-16-28(42-5)32(44-7)29(17-21)43-6)30(33(38)48-36)22-9-14-26-27(18-22)47-19-46-26/h9-14,16-18,20,31H,8,15,19H2,1-7H3,(H,37,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for human Endothelin A receptor expressed in LtK- cells				Bioorg Med Chem Lett 7: 297-302 (1997) Article DOI: 10.1016/S0960-894X(97)00002-4 BindingDB Entry DOI: 10.7270/Q2B8584G
					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	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 a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by imm...				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					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 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 a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by imm...				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	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 a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by imm...				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					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	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 a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by imm...				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50087067 (CHEMBL31326 | N-[4-(3-Bromo-phenylamino)-7-(3-diet...) Show SMILES CCN(CC)CCCSc1cc2ncnc(Nc3cccc(Br)c3)c2cc1NC(=O)C=C Show InChI InChI=1S/C24H28BrN5OS/c1-4-23(31)29-21-14-19-20(15-22(21)32-12-8-11-30(5-2)6-3)26-16-27-24(19)28-18-10-7-9-17(25)13-18/h4,7,9-10,13-16H,1,5-6,8,11-12H2,2-3H3,(H,29,31)(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.780	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by imm...				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50290982 (Allyl-carbamic acid 4-benzo[1,3]dioxol-5-yl-2-(4-m...) Show SMILES COc1ccc(cc1)C1(OC(=O)NCC=C)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OC)c1)c1ccc2OCOc2c1 |c:20| Show InChI InChI=1S/C32H31NO10/c1-6-13-33-31(35)43-32(21-8-10-22(36-2)11-9-21)23(14-19-15-26(37-3)29(39-5)27(16-19)38-4)28(30(34)42-32)20-7-12-24-25(17-20)41-18-40-24/h6-12,15-17H,1,13-14,18H2,2-5H3,(H,33,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for human Endothelin A receptor expressed in LtK- cells				Bioorg Med Chem Lett 7: 297-302 (1997) Article DOI: 10.1016/S0960-894X(97)00002-4 BindingDB Entry DOI: 10.7270/Q2B8584G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50087077 (CHEMBL31816 | N-[4-(3-Chloro-4-fluoro-phenylamino)...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2nc1NC(=O)C=C Show InChI InChI=1S/C17H13ClFN5O2/c1-3-14(25)23-16-13(26-2)7-12-15(24-16)17(21-8-20-12)22-9-4-5-11(19)10(18)6-9/h3-8H,1H2,2H3,(H,20,21,22)(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.950	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by imm...				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50087081 (CHEMBL31570 | N-[4-(3-Chloro-4-fluoro-phenylamino)...) Show SMILES COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2nc1NC(=O)C=C Show InChI InChI=1S/C19H17ClFN5O3/c1-3-16(27)25-18-15(29-7-6-28-2)9-14-17(26-18)19(23-10-22-14)24-11-4-5-13(21)12(20)8-11/h3-5,8-10H,1,6-7H2,2H3,(H,22,23,24)(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.970	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by imm...				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50369268 (CHEMBL1790519) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)C(=O)N(C)[C@H]([C@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C53H69N7O10/c1-9-30(5)45(52(68)60(8)47(31(6)10-2)51(67)58-42(53(69)70)26-35-28-54-39-22-16-15-19-36(35)39)59-49(65)41(27-43(62)63)56-48(64)40(25-29(3)4)57-50(66)46(55-32(7)61)44-37-20-13-11-17-33(37)23-24-34-18-12-14-21-38(34)44/h11-22,28-31,40-42,44-47,54H,9-10,23-27H2,1-8H3,(H,55,61)(H,56,64)(H,57,66)(H,58,67)(H,59,65)(H,62,63)(H,69,70)/t30-,31+,40-,41+,42-,45-,46+,47+/m0/s1	PDB UniProtKB/SwissProt 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
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of binding to Endothelin A receptor of rabbit renal vascular smooth muscle cells				J Med Chem 40: 2228-40 (1997) Article DOI: 10.1021/jm970161m BindingDB Entry DOI: 10.7270/Q24T6K1W
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50087078 (CHEMBL27688 | N-[7-(3-Morpholin-4-yl-propoxy)-4-m-...) Show SMILES Cc1cccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)c1 Show InChI InChI=1S/C25H29N5O3/c1-3-24(31)29-22-15-20-21(16-23(22)33-11-5-8-30-9-12-32-13-10-30)26-17-27-25(20)28-19-7-4-6-18(2)14-19/h3-4,6-7,14-17H,1,5,8-13H2,2H3,(H,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	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by imm...				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50087069 (CHEMBL31656 | N-[4-(3-Chloro-4-fluoro-phenylamino)...) Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)nc23)cc1Cl Show InChI InChI=1S/C23H24ClFN6O3/c1-2-20(32)29-22-19(34-9-3-6-31-7-10-33-11-8-31)13-18-21(30-22)23(27-14-26-18)28-15-4-5-17(25)16(24)12-15/h2,4-5,12-14H,1,3,6-11H2,(H,26,27,28)(H,29,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by imm...				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4779 (CHEMBL31965 | CHEMBL545315 | CI-1033 | Canertinib ...) Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl Show InChI InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by imm...				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50087070 (CHEMBL32844 | N-{4-(3-Bromo-phenylamino)-7-[3-(4-m...) Show SMILES CN1CCN(CCCOc2cc3ncnc(Nc4cccc(Br)c4)c3cc2NC(=O)C=C)CC1 Show InChI InChI=1S/C25H29BrN6O2/c1-3-24(33)30-22-15-20-21(27-17-28-25(20)29-19-7-4-6-18(26)14-19)16-23(22)34-13-5-8-32-11-9-31(2)10-12-32/h3-4,6-7,14-17H,1,5,8-13H2,2H3,(H,30,33)(H,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by imm...				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50087074 (CHEMBL32079 | N-{4-(3-Chloro-4-fluoro-phenylamino)...) Show SMILES OCCCCOCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=C Show InChI InChI=1S/C23H24ClFN4O4/c1-2-22(31)29-20-12-16-19(13-21(20)33-10-9-32-8-4-3-7-30)26-14-27-23(16)28-15-5-6-18(25)17(24)11-15/h2,5-6,11-14,30H,1,3-4,7-10H2,(H,29,31)(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by imm...				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50087076 (CHEMBL27685 | N-[4-(3-Bromo-4-fluoro-phenylamino)-...) Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Br Show InChI InChI=1S/C24H25BrFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by imm...				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50087068 (CHEMBL31622 | N-{7-[3-(4-Methyl-piperazin-1-yl)-pr...) Show SMILES CN1CCN(CCCOc2cc3ncnc(Nc4cccc(C)c4)c3cc2NC(=O)C=C)CC1 Show InChI InChI=1S/C26H32N6O2/c1-4-25(33)30-23-16-21-22(27-18-28-26(21)29-20-8-5-7-19(2)15-20)17-24(23)34-14-6-9-32-12-10-31(3)11-13-32/h4-5,7-8,15-18H,1,6,9-14H2,2-3H3,(H,30,33)(H,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by imm...				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50290979 (((S)-1-Naphthalen-1-yl-ethyl)-carbamic acid 4-benz...) Show SMILES COc1ccc(cc1)C1(OC(=O)N[C@@H](C)c2cccc3ccccc23)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OC)c1)c1ccc2OCOc2c1 |c:31| Show InChI InChI=1S/C41H37NO10/c1-24(30-12-8-10-26-9-6-7-11-31(26)30)42-40(44)52-41(28-14-16-29(45-2)17-15-28)32(19-25-20-35(46-3)38(48-5)36(21-25)47-4)37(39(43)51-41)27-13-18-33-34(22-27)50-23-49-33/h6-18,20-22,24H,19,23H2,1-5H3,(H,42,44)/t24-,41?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for human Endothelin A receptor expressed in LtK- cells				Bioorg Med Chem Lett 7: 297-302 (1997) Article DOI: 10.1016/S0960-894X(97)00002-4 BindingDB Entry DOI: 10.7270/Q2B8584G
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50290979 (((S)-1-Naphthalen-1-yl-ethyl)-carbamic acid 4-benz...) Show SMILES COc1ccc(cc1)C1(OC(=O)N[C@@H](C)c2cccc3ccccc23)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OC)c1)c1ccc2OCOc2c1 |c:31| Show InChI InChI=1S/C41H37NO10/c1-24(30-12-8-10-26-9-6-7-11-31(26)30)42-40(44)52-41(28-14-16-29(45-2)17-15-28)32(19-25-20-35(46-3)38(48-5)36(21-25)47-4)37(39(43)51-41)27-13-18-33-34(22-27)50-23-49-33/h6-18,20-22,24H,19,23H2,1-5H3,(H,42,44)/t24-,41?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for human Endothelin A receptor expressed in LtK- cells				Bioorg Med Chem Lett 7: 297-302 (1997) Article DOI: 10.1016/S0960-894X(97)00002-4 BindingDB Entry DOI: 10.7270/Q2B8584G
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50317405 (5-(Aminosulfonyl)-2-[(3,4-difluorophenyl)thio]-N-(...) Show SMILES COc1ccc(CNC(=O)c2cc(cnc2Sc2ccc(F)c(F)c2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C20H17F2N3O4S2/c1-29-13-4-2-12(3-5-13)10-24-19(26)16-9-15(31(23,27)28)11-25-20(16)30-14-6-7-17(21)18(22)8-14/h2-9,11H,10H2,1H3,(H,24,26)(H2,23,27,28)	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	2.19	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase 2				Bioorg Med Chem 18: 3307-19 (2010) Article DOI: 10.1016/j.bmc.2010.03.014 BindingDB Entry DOI: 10.7270/Q2SQ91B9
					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	PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of EGF-stimulated autophosphorylation of EGFR enzyme in A431 cells detected by immunoblotting				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50087066 (CHEMBL281543 | N-[4-(3-Chloro-4-fluoro-phenylamino...) Show SMILES Fc1ccc(Nc2ncnc3cc(CCCCN4CCOCC4)c(NC(=O)C=C)nc23)cc1Cl Show InChI InChI=1S/C24H26ClFN6O2/c1-2-21(33)30-23-16(5-3-4-8-32-9-11-34-12-10-32)13-20-22(31-23)24(28-15-27-20)29-17-6-7-19(26)18(25)14-17/h2,6-7,13-15H,1,3-5,8-12H2,(H,27,28,29)(H,30,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by imm...				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					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 PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of EGF-stimulated autophosphorylation of EGFR enzyme in A431 cells detected by immunoblotting				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50317417 (5-(Aminosulfonyl)-N-ethyl-3-fluoro-2-(isobutylthio...) Show SMILES CCNC(=O)c1cc(cc(F)c1SCC(C)C)S(N)(=O)=O Show InChI InChI=1S/C13H19FN2O3S2/c1-4-16-13(17)10-5-9(21(15,18)19)6-11(14)12(10)20-7-8(2)3/h5-6,8H,4,7H2,1-3H3,(H,16,17)(H2,15,18,19)	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	2.79	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase 2				Bioorg Med Chem 18: 3307-19 (2010) Article DOI: 10.1016/j.bmc.2010.03.014 BindingDB Entry DOI: 10.7270/Q2SQ91B9
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50087080 (CHEMBL286343 | N-[4-(3-Bromo-phenylamino)-7-(3-imi...) Show SMILES Brc1cccc(Nc2ncnc3cc(OCCCn4ccnc4)c(NC(=O)C=C)cc23)c1 Show InChI InChI=1S/C23H21BrN6O2/c1-2-22(31)29-20-12-18-19(13-21(20)32-10-4-8-30-9-7-25-15-30)26-14-27-23(18)28-17-6-3-5-16(24)11-17/h2-3,5-7,9,11-15H,1,4,8,10H2,(H,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	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by imm...				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50087070 (CHEMBL32844 | N-{4-(3-Bromo-phenylamino)-7-[3-(4-m...) Show SMILES CN1CCN(CCCOc2cc3ncnc(Nc4cccc(Br)c4)c3cc2NC(=O)C=C)CC1 Show InChI InChI=1S/C25H29BrN6O2/c1-3-24(33)30-22-15-20-21(27-17-28-25(20)29-19-7-4-6-18(26)14-19)16-23(22)34-13-5-8-32-11-9-31(2)10-12-32/h3-4,6-7,14-17H,1,5,8-13H2,2H3,(H,30,33)(H,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of EGF-stimulated autophosphorylation of EGFR enzyme in A431 cells detected by immunoblotting				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					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	PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of EGF-stimulated autophosphorylation of EGFR enzyme in A431 cells detected by immunoblotting				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50087073 (CHEMBL31419 | N-[4-(3-Bromo-phenylamino)-7-(3-morp...) Show SMILES Brc1cccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)c1 Show InChI InChI=1S/C24H26BrN5O3/c1-2-23(31)29-21-14-19-20(15-22(21)33-10-4-7-30-8-11-32-12-9-30)26-16-27-24(19)28-18-6-3-5-17(25)13-18/h2-3,5-6,13-16H,1,4,7-12H2,(H,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	PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by imm...				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50317416 (5-(Aminosulfonyl)-N-ethyl-3-fluoro-2-(isopropylthi...) Show SMILES CCNC(=O)c1cc(cc(F)c1SC(C)C)S(N)(=O)=O Show InChI InChI=1S/C12H17FN2O3S2/c1-4-15-12(16)9-5-8(20(14,17)18)6-10(13)11(9)19-7(2)3/h5-7H,4H2,1-3H3,(H,15,16)(H2,14,17,18)	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	3.77	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase 2				Bioorg Med Chem 18: 3307-19 (2010) Article DOI: 10.1016/j.bmc.2010.03.014 BindingDB Entry DOI: 10.7270/Q2SQ91B9
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50087075 (CHEMBL31588 | N-[4-(3-Bromo-phenylamino)-7-(4-dime...) Show SMILES CN(C)CCCCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1NC(=O)C=C Show InChI InChI=1S/C23H26BrN5O2/c1-4-22(30)28-20-13-18-19(14-21(20)31-11-6-5-10-29(2)3)25-15-26-23(18)27-17-9-7-8-16(24)12-17/h4,7-9,12-15H,1,5-6,10-11H2,2-3H3,(H,28,30)(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by imm...				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50032181 (2-{1-[1-(2-carboxy-1-{1-[10,11-dihydro-5H-dibenzo[...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C52H67N7O10/c1-8-29(5)44(49(65)57-41(52(68)69)25-34-27-53-38-21-15-14-18-35(34)38)59-50(66)45(30(6)9-2)58-48(64)40(26-42(61)62)55-47(63)39(24-28(3)4)56-51(67)46(54-31(7)60)43-36-19-12-10-16-32(36)22-23-33-17-11-13-20-37(33)43/h10-21,27-30,39-41,43-46,53H,8-9,22-26H2,1-7H3,(H,54,60)(H,55,63)(H,56,67)(H,57,65)(H,58,64)(H,59,66)(H,61,62)(H,68,69)/t29-,30-,39-,40-,41-,44-,45-,46-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase 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
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of binding to Endothelin A receptor of rabbit renal vascular smooth muscle cells				J Med Chem 40: 2228-40 (1997) Article DOI: 10.1021/jm970161m BindingDB Entry DOI: 10.7270/Q24T6K1W
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (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 UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of autophosphorylation of ERBB2 receptor kinase in MDA-MB 453 cells				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50087076 (CHEMBL27685 | N-[4-(3-Bromo-4-fluoro-phenylamino)-...) Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Br Show InChI InChI=1S/C24H25BrFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of EGF-stimulated autophosphorylation of EGFR enzyme in A431 cells detected by immunoblotting				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					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	PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of EGF-stimulated autophosphorylation of EGFR enzyme in A431 cells detected by immunoblotting				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50087073 (CHEMBL31419 | N-[4-(3-Bromo-phenylamino)-7-(3-morp...) Show SMILES Brc1cccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)c1 Show InChI InChI=1S/C24H26BrN5O3/c1-2-23(31)29-21-14-19-20(15-22(21)33-10-4-7-30-8-11-32-12-9-30)26-16-27-24(19)28-18-6-3-5-17(25)13-18/h2-3,5-6,13-16H,1,4,7-12H2,(H,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	PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of EGF-stimulated autophosphorylation of EGFR enzyme in A431 cells detected by immunoblotting				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (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 UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of autophosphorylation of ERBB2 receptor kinase in MDA-MB 453 cells				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50087073 (CHEMBL31419 | N-[4-(3-Bromo-phenylamino)-7-(3-morp...) Show SMILES Brc1cccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)c1 Show InChI InChI=1S/C24H26BrN5O3/c1-2-23(31)29-21-14-19-20(15-22(21)33-10-4-7-30-8-11-32-12-9-30)26-16-27-24(19)28-18-6-3-5-17(25)13-18/h2-3,5-6,13-16H,1,4,7-12H2,(H,29,31)(H,26,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of autophosphorylation of ERBB2 receptor kinase in MDA-MB 453 cells				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50087071 (CHEMBL284326 | N-{4-(3-Chloro-4-fluoro-phenylamino...) Show SMILES CN1CCN(CCCOc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3nc2NC(=O)C=C)CC1 Show InChI InChI=1S/C24H27ClFN7O2/c1-3-21(34)30-23-20(35-12-4-7-33-10-8-32(2)9-11-33)14-19-22(31-23)24(28-15-27-19)29-16-5-6-18(26)17(25)13-16/h3,5-6,13-15H,1,4,7-12H2,2H3,(H,27,28,29)(H,30,31,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by imm...				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (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 UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of autophosphorylation of ERBB2 receptor kinase in MDA-MB 453 cells				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50057155 ((Z)-2-Benzo[1,3]dioxol-5-yl-3-benzyl-4-(4-methoxy-...) Show SMILES COc1ccc(cc1)C(=O)C(\Cc1ccccc1)=C(/C([O-])=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C25H20O6/c1-29-19-10-7-17(8-11-19)24(26)20(13-16-5-3-2-4-6-16)23(25(27)28)18-9-12-21-22(14-18)31-15-30-21/h2-12,14H,13,15H2,1H3,(H,27,28)/p-1/b23-20-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for human Endothelin A receptor expressed in LtK- cells				Bioorg Med Chem Lett 7: 297-302 (1997) Article DOI: 10.1016/S0960-894X(97)00002-4 BindingDB Entry DOI: 10.7270/Q2B8584G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4779 (CHEMBL31965 | CHEMBL545315 | CI-1033 | Canertinib ...) Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl Show InChI InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of EGF-stimulated autophosphorylation of EGFR enzyme in A431 cells detected by immunoblotting				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50087075 (CHEMBL31588 | N-[4-(3-Bromo-phenylamino)-7-(4-dime...) Show SMILES CN(C)CCCCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1NC(=O)C=C Show InChI InChI=1S/C23H26BrN5O2/c1-4-22(30)28-20-13-18-19(14-21(20)31-11-6-5-10-29(2)3)25-15-26-23(18)27-17-9-7-8-16(24)12-17/h4,7-9,12-15H,1,5-6,10-11H2,2-3H3,(H,28,30)(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of EGF-stimulated autophosphorylation of EGFR enzyme in A431 cells detected by immunoblotting				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50087076 (CHEMBL27685 | N-[4-(3-Bromo-4-fluoro-phenylamino)-...) Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Br Show InChI InChI=1S/C24H25BrFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of autophosphorylation of ERBB2 receptor kinase in MDA-MB 453 cells				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50317418 (6-[(2,3,5,6-Tetrafluorophenyl)thio]pyridine-3-sulf...) Show SMILES NS(=O)(=O)c1ccc(Sc2c(F)c(F)cc(F)c2F)nc1 Show InChI InChI=1S/C11H6F4N2O2S2/c12-6-3-7(13)10(15)11(9(6)14)20-8-2-1-5(4-17-8)21(16,18)19/h1-4H,(H2,16,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.29	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase 2				Bioorg Med Chem 18: 3307-19 (2010) Article DOI: 10.1016/j.bmc.2010.03.014 BindingDB Entry DOI: 10.7270/Q2SQ91B9
					More data for this Ligand-Target Pair

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