Compile Data Set for Download or QSAR

Found 73 hits with Last Name = 'imran' and Initial = 'm'   

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))	BDBM50455956 (CHEMBL5271803) Show SMILES OC(=O)\C=C\C(O)=O.COc1ccccc1C(=O)NC(=O)N[C@H]1CN2CCC1CC2 |r,wD:22.21,(10.8,-5.36,;9.3,-5.62,;8.31,-4.43,;8.53,-6.95,;6.99,-6.95,;6.22,-8.27,;6.99,-9.61,;4.69,-8.27,;-8.23,-3.56,;-6.91,-4.3,;-6.89,-5.84,;-8.22,-6.61,;-8.22,-8.17,;-6.89,-8.94,;-5.56,-8.17,;-5.56,-6.61,;-4.23,-5.84,;-4.25,-4.3,;-2.9,-6.6,;-1.57,-5.83,;-1.57,-4.29,;-.22,-6.58,;1.1,-5.81,;2.48,-6.61,;3.89,-5.81,;3.89,-4.17,;2.48,-3.37,;1.1,-4.17,;2.8,-4.59,;1.64,-5.51,)| Show InChI InChI=1S/C16H21N3O3.C4H4O4/c1-22-14-5-3-2-4-12(14)15(20)18-16(21)17-13-10-19-8-6-11(13)7-9-19;5-3(6)1-2-4(7)8/h2-5,11,13H,6-10H2,1H3,(H2,17,18,20,21);1-2H,(H,5,6)(H,7,8)/b;2-1+/t13-;/m0./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50455959 (CHEMBL5281903) Show SMILES OC(=O)\C=C\C(O)=O.Cc1ccccc1C(=O)NC(=O)NC1CN2CCC1CC2 |(10.67,-3.2,;9.16,-3.45,;8.19,-2.27,;8.39,-4.78,;6.86,-4.78,;6.1,-6.1,;6.86,-7.43,;4.57,-6.1,;-8.34,-2.24,;-8.34,-3.77,;-9.64,-4.54,;-9.64,-6.09,;-8.34,-6.85,;-7,-6.09,;-7,-4.54,;-5.69,-3.77,;-5.69,-2.24,;-4.35,-4.52,;-3.05,-3.76,;-3.05,-2.23,;-1.71,-4.5,;-.38,-3.74,;1,-4.54,;2.39,-3.74,;2.39,-2.11,;1,-1.32,;-.38,-2.11,;1.31,-2.53,;.17,-3.44,)| Show InChI InChI=1S/C16H21N3O2.C4H4O4/c1-11-4-2-3-5-13(11)15(20)18-16(21)17-14-10-19-8-6-12(14)7-9-19;5-3(6)1-2-4(7)8/h2-5,12,14H,6-10H2,1H3,(H2,17,18,20,21);1-2H,(H,5,6)(H,7,8)/b;2-1+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	0.810	n/a	n/a	n/a	n/a	n/a	n/a
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					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	n/a	n/a	0.960	n/a	n/a	n/a	n/a	n/a	n/a
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					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	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair				3D Structure (crystal)
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	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
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					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	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair				3D Structure (crystal)
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	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair				3D Structure (crystal)
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	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50322823 ((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...) Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1	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 PDB	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
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					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	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50322823 ((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...) Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1	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 PDB	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50455959 (CHEMBL5281903) Show SMILES OC(=O)\C=C\C(O)=O.Cc1ccccc1C(=O)NC(=O)NC1CN2CCC1CC2 |(10.67,-3.2,;9.16,-3.45,;8.19,-2.27,;8.39,-4.78,;6.86,-4.78,;6.1,-6.1,;6.86,-7.43,;4.57,-6.1,;-8.34,-2.24,;-8.34,-3.77,;-9.64,-4.54,;-9.64,-6.09,;-8.34,-6.85,;-7,-6.09,;-7,-4.54,;-5.69,-3.77,;-5.69,-2.24,;-4.35,-4.52,;-3.05,-3.76,;-3.05,-2.23,;-1.71,-4.5,;-.38,-3.74,;1,-4.54,;2.39,-3.74,;2.39,-2.11,;1,-1.32,;-.38,-2.11,;1.31,-2.53,;.17,-3.44,)| Show InChI InChI=1S/C16H21N3O2.C4H4O4/c1-11-4-2-3-5-13(11)15(20)18-16(21)17-14-10-19-8-6-12(14)7-9-19;5-3(6)1-2-4(7)8/h2-5,12,14H,6-10H2,1H3,(H2,17,18,20,21);1-2H,(H,5,6)(H,7,8)/b;2-1+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50455959 (CHEMBL5281903) Show SMILES OC(=O)\C=C\C(O)=O.Cc1ccccc1C(=O)NC(=O)NC1CN2CCC1CC2 |(10.67,-3.2,;9.16,-3.45,;8.19,-2.27,;8.39,-4.78,;6.86,-4.78,;6.1,-6.1,;6.86,-7.43,;4.57,-6.1,;-8.34,-2.24,;-8.34,-3.77,;-9.64,-4.54,;-9.64,-6.09,;-8.34,-6.85,;-7,-6.09,;-7,-4.54,;-5.69,-3.77,;-5.69,-2.24,;-4.35,-4.52,;-3.05,-3.76,;-3.05,-2.23,;-1.71,-4.5,;-.38,-3.74,;1,-4.54,;2.39,-3.74,;2.39,-2.11,;1,-1.32,;-.38,-2.11,;1.31,-2.53,;.17,-3.44,)| Show InChI InChI=1S/C16H21N3O2.C4H4O4/c1-11-4-2-3-5-13(11)15(20)18-16(21)17-14-10-19-8-6-12(14)7-9-19;5-3(6)1-2-4(7)8/h2-5,12,14H,6-10H2,1H3,(H2,17,18,20,21);1-2H,(H,5,6)(H,7,8)/b;2-1+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
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					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	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
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					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	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
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					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	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50322823 ((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...) Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1	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 PDB	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50322823 ((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...) Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1	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 PDB	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50322823 ((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...) Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1	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 PDB	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50322823 ((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...) Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1	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 PDB	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50454419 (CHEMBL5283875) Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6](=O)-[#7](-[#8])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6](-[#6])-[#6])-[#6](-[#6])-[#6])-[#6](-[#8])=O Show InChI InChI=1S/C34H58N4O7S/c1-22(2)13-10-14-25(7)15-11-16-26(8)17-12-19-38(45)29(40)21-28(39)36-30(23(3)4)33(42)37-31(24(5)6)32(41)35-27(34(43)44)18-20-46-9/h13,15,17,23-24,27,30-31,45H,10-12,14,16,18-21H2,1-9H3,(H,35,41)(H,36,39)(H,37,42)(H,43,44)/b25-15+,26-17+/t27-,30-,31-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50406870 (CHEMBL4168254) Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(ncnc2cc1O[C@@H]1CCOC1)N1CCc2ccccc12 |r| Show InChI InChI=1S/C26H29N5O3/c1-30(2)11-5-8-25(32)29-22-14-20-21(15-24(22)34-19-10-13-33-16-19)27-17-28-26(20)31-12-9-18-6-3-4-7-23(18)31/h3-8,14-15,17,19H,9-13,16H2,1-2H3,(H,29,32)/b8-5+/t19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50322823 ((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...) Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1	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 PDB	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50455956 (CHEMBL5271803) Show SMILES OC(=O)\C=C\C(O)=O.COc1ccccc1C(=O)NC(=O)N[C@H]1CN2CCC1CC2 |r,wD:22.21,(10.8,-5.36,;9.3,-5.62,;8.31,-4.43,;8.53,-6.95,;6.99,-6.95,;6.22,-8.27,;6.99,-9.61,;4.69,-8.27,;-8.23,-3.56,;-6.91,-4.3,;-6.89,-5.84,;-8.22,-6.61,;-8.22,-8.17,;-6.89,-8.94,;-5.56,-8.17,;-5.56,-6.61,;-4.23,-5.84,;-4.25,-4.3,;-2.9,-6.6,;-1.57,-5.83,;-1.57,-4.29,;-.22,-6.58,;1.1,-5.81,;2.48,-6.61,;3.89,-5.81,;3.89,-4.17,;2.48,-3.37,;1.1,-4.17,;2.8,-4.59,;1.64,-5.51,)| Show InChI InChI=1S/C16H21N3O3.C4H4O4/c1-22-14-5-3-2-4-12(14)15(20)18-16(21)17-13-10-19-8-6-11(13)7-9-19;5-3(6)1-2-4(7)8/h2-5,11,13H,6-10H2,1H3,(H2,17,18,20,21);1-2H,(H,5,6)(H,7,8)/b;2-1+/t13-;/m0./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50455957 (CHEMBL5289358) Show SMILES Cc1ccc(cc1)S(O)(=O)=O.COc1ccccc1C(=O)NC(=O)NC1CC2CCCC(C1)N2C |TLB:24:25:33:28.30.29| Show InChI InChI=1S/C18H25N3O3.C7H8O3S/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)20-17(22)15-8-3-4-9-16(15)24-2;1-6-2-4-7(5-3-6)11(8,9)10/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H2,19,20,22,23);2-5H,1H3,(H,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50322823 ((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...) Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1	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 PDB	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50455957 (CHEMBL5289358) Show SMILES Cc1ccc(cc1)S(O)(=O)=O.COc1ccccc1C(=O)NC(=O)NC1CC2CCCC(C1)N2C |TLB:24:25:33:28.30.29| Show InChI InChI=1S/C18H25N3O3.C7H8O3S/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)20-17(22)15-8-3-4-9-16(15)24-2;1-6-2-4-7(5-3-6)11(8,9)10/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H2,19,20,22,23);2-5H,1H3,(H,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50454412 (CHEMBL5277831) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6](=O)-[#7](-[#8])-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O Show InChI InChI=1S/C33H56N4O8/c1-21(2)11-9-12-24(7)13-10-14-25(8)17-18-37(45)29(40)16-15-28(39)36-30(23(5)6)32(42)34-26(19-22(3)4)31(41)35-27(20-38)33(43)44/h11,13,17,22-23,26-27,30,38,45H,9-10,12,14-16,18-20H2,1-8H3,(H,34,42)(H,35,41)(H,36,39)(H,43,44)/b24-13+,25-17+/t26-,27-,30-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5445 (CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...) Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50454413 (CHEMBL5280584) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)N(C)OCc1ccccc1)C(C)C)C(=O)N[C@@H](CO)C(O)=O Show InChI InChI=1S/C26H41N5O8/c1-15(2)11-19(24(35)29-20(13-32)26(37)38)28-25(36)22(16(3)4)30-23(34)18(27)12-21(33)31(5)39-14-17-9-7-6-8-10-17/h6-10,15-16,18-20,22,32H,11-14,27H2,1-5H3,(H,28,36)(H,29,35)(H,30,34)(H,37,38)/t18-,19-,20-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars		n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50455958 (CHEMBL5280092) Show SMILES OC(=O)C(O)=O.CCCOc1ccccc1C(=O)NC(=O)NC1CC2CCC(C1)N2C |TLB:21:22:29:25.26| Show InChI InChI=1S/C19H27N3O3.C2H2O4/c1-3-10-25-17-7-5-4-6-16(17)18(23)21-19(24)20-13-11-14-8-9-15(12-13)22(14)2;3-1(4)2(5)6/h4-7,13-15H,3,8-12H2,1-2H3,(H2,20,21,23,24);(H,3,4)(H,5,6)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
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					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	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50454187 (CHEMBL5272590) Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)[C@@H]([C@H](C)C(O)=O)c1ccccc1 Show InChI InChI=1S/C27H29N3O2/c1-5-23-29-25-17(2)15-18(3)28-26(25)30(23)16-20-11-13-22(14-12-20)24(19(4)27(31)32)21-9-7-6-8-10-21/h6-15,19,24H,5,16H2,1-4H3,(H,31,32)/t19-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM149404 (AVL-301 | CHEMBL3545308 | CNX-419 | CO-1686 | Roci...) Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C27H28F3N7O3/c1-4-24(39)32-18-6-5-7-19(14-18)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-20(15-23(22)40-3)37-12-10-36(11-13-37)17(2)38/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,39)(H2,31,33,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50454420 (CHEMBL5286575) Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6](=O)-[#7](-[#8])-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6](-[#6])-[#6])-[#6](-[#6])-[#6])-[#6](-[#8])=O Show InChI InChI=1S/C33H56N4O7S/c1-21(2)12-10-13-24(7)14-11-15-25(8)16-18-37(44)28(39)20-27(38)35-29(22(3)4)32(41)36-30(23(5)6)31(40)34-26(33(42)43)17-19-45-9/h12,14,16,22-23,26,29-30,44H,10-11,13,15,17-20H2,1-9H3,(H,34,40)(H,35,38)(H,36,41)(H,42,43)/b24-14+,25-16+/t26-,29-,30-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50454413 (CHEMBL5280584) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)N(C)OCc1ccccc1)C(C)C)C(=O)N[C@@H](CO)C(O)=O Show InChI InChI=1S/C26H41N5O8/c1-15(2)11-19(24(35)29-20(13-32)26(37)38)28-25(36)22(16(3)4)30-23(34)18(27)12-21(33)31(5)39-14-17-9-7-6-8-10-17/h6-10,15-16,18-20,22,32H,11-14,27H2,1-5H3,(H,28,36)(H,29,35)(H,30,34)(H,37,38)/t18-,19-,20-,22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars		n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50454412 (CHEMBL5277831) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6](=O)-[#7](-[#8])-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O Show InChI InChI=1S/C33H56N4O8/c1-21(2)11-9-12-24(7)13-10-14-25(8)17-18-37(45)29(40)16-15-28(39)36-30(23(5)6)32(42)34-26(19-22(3)4)31(41)35-27(20-38)33(43)44/h11,13,17,22-23,26-27,30,38,45H,9-10,12,14-16,18-20H2,1-8H3,(H,34,42)(H,35,41)(H,36,39)(H,43,44)/b24-13+,25-17+/t26-,27-,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50454414 (CHEMBL5281270) Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6](=O)-[#7](-[#8])-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6](-[#6])-[#6])-[#6](-[#6])-[#6])-[#6](-[#8])=O Show InChI InChI=1S/C33H56N4O7S/c1-21(2)12-10-13-24(7)14-11-15-25(8)16-18-37(44)28(39)20-27(38)35-29(22(3)4)32(41)36-30(23(5)6)31(40)34-26(33(42)43)17-19-45-9/h12,14,16,22-23,26,29-30,44H,10-11,13,15,17-20H2,1-9H3,(H,34,40)(H,35,38)(H,36,41)(H,42,43)/b24-14+,25-16+/t26-,29+,30+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
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Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50454419 (CHEMBL5283875) Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6](=O)-[#7](-[#8])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6](-[#6])-[#6])-[#6](-[#6])-[#6])-[#6](-[#8])=O Show InChI InChI=1S/C34H58N4O7S/c1-22(2)13-10-14-25(7)15-11-16-26(8)17-12-19-38(45)29(40)21-28(39)36-30(23(3)4)33(42)37-31(24(5)6)32(41)35-27(34(43)44)18-20-46-9/h13,15,17,23-24,27,30-31,45H,10-12,14,16,18-21H2,1-9H3,(H,35,41)(H,36,39)(H,37,42)(H,43,44)/b25-15+,26-17+/t27-,30-,31-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
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Epidermal growth factor receptor (Homo sapiens (Human))	BDBM149404 (AVL-301 | CHEMBL3545308 | CNX-419 | CO-1686 | Roci...) Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C27H28F3N7O3/c1-4-24(39)32-18-6-5-7-19(14-18)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-20(15-23(22)40-3)37-12-10-36(11-13-37)17(2)38/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,39)(H2,31,33,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50454187 (CHEMBL5272590) Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)[C@@H]([C@H](C)C(O)=O)c1ccccc1 Show InChI InChI=1S/C27H29N3O2/c1-5-23-29-25-17(2)15-18(3)28-26(25)30(23)16-20-11-13-22(14-12-20)24(19(4)27(31)32)21-9-7-6-8-10-21/h6-15,19,24H,5,16H2,1-4H3,(H,31,32)/t19-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
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Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50406870 (CHEMBL4168254) Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(ncnc2cc1O[C@@H]1CCOC1)N1CCc2ccccc12 |r| Show InChI InChI=1S/C26H29N5O3/c1-30(2)11-5-8-25(32)29-22-14-20-21(15-24(22)34-19-10-13-33-16-19)27-17-28-26(20)31-12-9-18-6-3-4-7-23(18)31/h3-8,14-15,17,19H,9-13,16H2,1-2H3,(H,29,32)/b8-5+/t19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
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Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5445 (CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...) Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50454414 (CHEMBL5281270) Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6](=O)-[#7](-[#8])-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6](-[#6])-[#6])-[#6](-[#6])-[#6])-[#6](-[#8])=O Show InChI InChI=1S/C33H56N4O7S/c1-21(2)12-10-13-24(7)14-11-15-25(8)16-18-37(44)28(39)20-27(38)35-29(22(3)4)32(41)36-30(23(5)6)31(40)34-26(33(42)43)17-19-45-9/h12,14,16,22-23,26,29-30,44H,10-11,13,15,17-20H2,1-9H3,(H,34,40)(H,35,38)(H,36,41)(H,42,43)/b24-14+,25-16+/t26-,29+,30+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
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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	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5446 (CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...) Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM16673 (4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
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Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM5446 (CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...) Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
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Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50454418 (CHEMBL5278037) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)N(C)O)C(C)C)C(=O)N[C@@H](CO)C(O)=O Show InChI InChI=1S/C19H35N5O8/c1-9(2)6-12(17(28)22-13(8-25)19(30)31)21-18(29)15(10(3)4)23-16(27)11(20)7-14(26)24(5)32/h9-13,15,25,32H,6-8,20H2,1-5H3,(H,21,29)(H,22,28)(H,23,27)(H,30,31)/t11-,12-,13-,15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem		n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
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Epidermal growth factor receptor (Homo sapiens (Human))	BDBM16673 (4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
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