Compile Data Set for Download or QSAR

Found 187 hits with Last Name = 'san juan' and Initial = 'aa'   

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
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50478040 (CHEMBL198347) Show SMILES Cc1cc(cc(c1)C(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccc(cc1C)S(N)(=O)=O)C#N Show InChI InChI=1S/C24H20ClN3O5S/c1-14-7-16(12-26)10-17(8-14)24(30)20-11-18(25)3-6-22(20)33-13-23(29)28-21-5-4-19(9-15(21)2)34(27,31)32/h3-11H,13H2,1-2H3,(H,28,29)(H2,27,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.891	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay				Bioorg Med Chem Lett 18: 1181-94 (2008) Article DOI: 10.1016/j.bmcl.2007.11.134 BindingDB Entry DOI: 10.7270/Q2NS0XPK
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50478026 (CHEMBL203420 | GW678248 | GW8248) Show SMILES Cc1cc(ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(Cl)cc(c1)C#N)S(N)(=O)=O Show InChI InChI=1S/C23H17Cl2N3O5S/c1-13-6-18(34(27,31)32)3-4-20(13)28-22(29)12-33-21-5-2-16(24)10-19(21)23(30)15-7-14(11-26)8-17(25)9-15/h2-10H,12H2,1H3,(H,28,29)(H2,27,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay				Bioorg Med Chem Lett 18: 1181-94 (2008) Article DOI: 10.1016/j.bmcl.2007.11.134 BindingDB Entry DOI: 10.7270/Q2NS0XPK
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50478025 (CHEMBL199409) Show SMILES Cc1cc(ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(cc(c1)C(F)(F)F)C#N)S(N)(=O)=O Show InChI InChI=1S/C24H17ClF3N3O5S/c1-13-6-18(37(30,34)35)3-4-20(13)31-22(32)12-36-21-5-2-17(25)10-19(21)23(33)15-7-14(11-29)8-16(9-15)24(26,27)28/h2-10H,12H2,1H3,(H,31,32)(H2,30,34,35)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay				Bioorg Med Chem Lett 18: 1181-94 (2008) Article DOI: 10.1016/j.bmcl.2007.11.134 BindingDB Entry DOI: 10.7270/Q2NS0XPK
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50478050 (CHEMBL199328) Show SMILES Cc1cc(ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cccc(c1)C#N)S(N)(=O)=O Show InChI InChI=1S/C23H18ClN3O5S/c1-14-9-18(33(26,30)31)6-7-20(14)27-22(28)13-32-21-8-5-17(24)11-19(21)23(29)16-4-2-3-15(10-16)12-25/h2-11H,13H2,1H3,(H,27,28)(H2,26,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD 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
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay				Bioorg Med Chem Lett 18: 1181-94 (2008) Article DOI: 10.1016/j.bmcl.2007.11.134 BindingDB Entry DOI: 10.7270/Q2NS0XPK
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50478048 (CHEMBL199539) Show SMILES CNS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2C(=O)c2cc(F)cc(c2)C(F)(F)F)c(C)c1 Show InChI InChI=1S/C24H19ClF4N2O5S/c1-13-7-18(37(34,35)30-2)4-5-20(13)31-22(32)12-36-21-6-3-16(25)11-19(21)23(33)14-8-15(24(27,28)29)10-17(26)9-14/h3-11,30H,12H2,1-2H3,(H,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay				Bioorg Med Chem Lett 18: 1181-94 (2008) Article DOI: 10.1016/j.bmcl.2007.11.134 BindingDB Entry DOI: 10.7270/Q2NS0XPK
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50478032 (CHEMBL275658 | GW4511 | GW564511 | GW69564) Show SMILES Cc1cc(ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(F)cc(c1)C(F)(F)F)S(N)(=O)=O Show InChI InChI=1S/C23H17ClF4N2O5S/c1-12-6-17(36(29,33)34)3-4-19(12)30-21(31)11-35-20-5-2-15(24)10-18(20)22(32)13-7-14(23(26,27)28)9-16(25)8-13/h2-10H,11H2,1H3,(H,30,31)(H2,29,33,34)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay				Bioorg Med Chem Lett 18: 1181-94 (2008) Article DOI: 10.1016/j.bmcl.2007.11.134 BindingDB Entry DOI: 10.7270/Q2NS0XPK
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50478047 (CHEMBL201793) Show SMILES Cc1nc(ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(Cl)cc(c1)C#N)S(N)(=O)=O Show InChI InChI=1S/C22H16Cl2N4O5S/c1-12-18(3-5-21(27-12)34(26,31)32)28-20(29)11-33-19-4-2-15(23)9-17(19)22(30)14-6-13(10-25)7-16(24)8-14/h2-9H,11H2,1H3,(H,28,29)(H2,26,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay				Bioorg Med Chem Lett 18: 1181-94 (2008) Article DOI: 10.1016/j.bmcl.2007.11.134 BindingDB Entry DOI: 10.7270/Q2NS0XPK
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50478044 (CHEMBL201485) Show SMILES Cc1cc(C)cc(c1)C(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccc(cc1C)S(N)(=O)=O Show InChI InChI=1S/C24H23ClN2O5S/c1-14-8-15(2)10-17(9-14)24(29)20-12-18(25)4-7-22(20)32-13-23(28)27-21-6-5-19(11-16(21)3)33(26,30)31/h4-12H,13H2,1-3H3,(H,27,28)(H2,26,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay				Bioorg Med Chem Lett 18: 1181-94 (2008) Article DOI: 10.1016/j.bmcl.2007.11.134 BindingDB Entry DOI: 10.7270/Q2NS0XPK
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50478027 (CHEMBL201343) Show SMILES Cc1cc(Cl)cc(c1)C(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccc(cc1C)S(N)(=O)=O Show InChI InChI=1S/C23H20Cl2N2O5S/c1-13-7-15(10-17(25)8-13)23(29)19-11-16(24)3-6-21(19)32-12-22(28)27-20-5-4-18(9-14(20)2)33(26,30)31/h3-11H,12H2,1-2H3,(H,27,28)(H2,26,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay				Bioorg Med Chem Lett 18: 1181-94 (2008) Article DOI: 10.1016/j.bmcl.2007.11.134 BindingDB Entry DOI: 10.7270/Q2NS0XPK
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50478022 (CHEMBL202929) Show SMILES Cc1cc(OCCCNC(N)=O)ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(F)cc(c1)C(F)(F)F Show InChI InChI=1S/C27H24ClF4N3O5/c1-15-9-20(39-8-2-7-34-26(33)38)4-5-22(15)35-24(36)14-40-23-6-3-18(28)13-21(23)25(37)16-10-17(27(30,31)32)12-19(29)11-16/h3-6,9-13H,2,7-8,14H2,1H3,(H,35,36)(H3,33,34,38)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay				Bioorg Med Chem Lett 18: 1181-94 (2008) Article DOI: 10.1016/j.bmcl.2007.11.134 BindingDB Entry DOI: 10.7270/Q2NS0XPK
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50478046 (CHEMBL202663 | GW3011) Show SMILES Cc1cc(OCCCS(N)(=O)=O)ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(F)cc(c1)C(F)(F)F Show InChI InChI=1S/C26H23ClF4N2O6S/c1-15-9-20(38-7-2-8-40(32,36)37)4-5-22(15)33-24(34)14-39-23-6-3-18(27)13-21(23)25(35)16-10-17(26(29,30)31)12-19(28)11-16/h3-6,9-13H,2,7-8,14H2,1H3,(H,33,34)(H2,32,36,37)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay				Bioorg Med Chem Lett 18: 1181-94 (2008) Article DOI: 10.1016/j.bmcl.2007.11.134 BindingDB Entry DOI: 10.7270/Q2NS0XPK
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50478028 (CHEMBL198398) Show SMILES Cc1cc(ncc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(Cl)cc(c1)C#N)S(N)(=O)=O Show InChI InChI=1S/C22H16Cl2N4O5S/c1-12-4-21(34(26,31)32)27-10-18(12)28-20(29)11-33-19-3-2-15(23)8-17(19)22(30)14-5-13(9-25)6-16(24)7-14/h2-8,10H,11H2,1H3,(H,28,29)(H2,26,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD 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
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay				Bioorg Med Chem Lett 18: 1181-94 (2008) Article DOI: 10.1016/j.bmcl.2007.11.134 BindingDB Entry DOI: 10.7270/Q2NS0XPK
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50478053 (CHEMBL427371) Show SMILES Cc1cc(ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cccc(c1)C#N)N1CC[S+]([O-])CC1 Show InChI InChI=1S/C27H24ClN3O4S/c1-18-13-22(31-9-11-36(34)12-10-31)6-7-24(18)30-26(32)17-35-25-8-5-21(28)15-23(25)27(33)20-4-2-3-19(14-20)16-29/h2-8,13-15H,9-12,17H2,1H3,(H,30,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD 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
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay				Bioorg Med Chem Lett 18: 1181-94 (2008) Article DOI: 10.1016/j.bmcl.2007.11.134 BindingDB Entry DOI: 10.7270/Q2NS0XPK
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50478036 (CHEMBL199506) Show SMILES CN(C)S(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2C(=O)c2cc(F)cc(c2)C(F)(F)F)c(C)c1 Show InChI InChI=1S/C25H21ClF4N2O5S/c1-14-8-19(38(35,36)32(2)3)5-6-21(14)31-23(33)13-37-22-7-4-17(26)12-20(22)24(34)15-9-16(25(28,29)30)11-18(27)10-15/h4-12H,13H2,1-3H3,(H,31,33)	PDB MMDB UniProtKB/TrEMBL B.MOAD 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
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay				Bioorg Med Chem Lett 18: 1181-94 (2008) Article DOI: 10.1016/j.bmcl.2007.11.134 BindingDB Entry DOI: 10.7270/Q2NS0XPK
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50478030 (CHEMBL426480) Show SMILES Cc1cc(cc(c1)C(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccc(nc1C)S(N)(=O)=O)C#N Show InChI InChI=1S/C23H19ClN4O5S/c1-13-7-15(11-25)9-16(8-13)23(30)18-10-17(24)3-5-20(18)33-12-21(29)28-19-4-6-22(27-14(19)2)34(26,31)32/h3-10H,12H2,1-2H3,(H,28,29)(H2,26,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD 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
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay				Bioorg Med Chem Lett 18: 1181-94 (2008) Article DOI: 10.1016/j.bmcl.2007.11.134 BindingDB Entry DOI: 10.7270/Q2NS0XPK
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50478049 (CHEMBL203313) Show SMILES Cc1cc(ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(Cl)cc(Br)c1)S(N)(=O)=O Show InChI InChI=1S/C22H17BrCl2N2O5S/c1-12-6-17(33(26,30)31)3-4-19(12)27-21(28)11-32-20-5-2-15(24)10-18(20)22(29)13-7-14(23)9-16(25)8-13/h2-10H,11H2,1H3,(H,27,28)(H2,26,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay				Bioorg Med Chem Lett 18: 1181-94 (2008) Article DOI: 10.1016/j.bmcl.2007.11.134 BindingDB Entry DOI: 10.7270/Q2NS0XPK
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50478029 (CHEMBL201527) Show SMILES Cc1cc(cc(c1)C(=O)c1cc(Cl)ccc1OCC(=O)Nc1cnc(cc1C)S(N)(=O)=O)C#N Show InChI InChI=1S/C23H19ClN4O5S/c1-13-5-15(10-25)8-16(6-13)23(30)18-9-17(24)3-4-20(18)33-12-21(29)28-19-11-27-22(7-14(19)2)34(26,31)32/h3-9,11H,12H2,1-2H3,(H,28,29)(H2,26,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay				Bioorg Med Chem Lett 18: 1181-94 (2008) Article DOI: 10.1016/j.bmcl.2007.11.134 BindingDB Entry DOI: 10.7270/Q2NS0XPK
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50478034 (CHEMBL201526) Show SMILES Cc1cc(NC(=O)CCN2CCOCC2)ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(F)cc(F)c1 Show InChI InChI=1S/C29H28ClF2N3O5/c1-18-12-23(33-27(36)6-7-35-8-10-39-11-9-35)3-4-25(18)34-28(37)17-40-26-5-2-20(30)15-24(26)29(38)19-13-21(31)16-22(32)14-19/h2-5,12-16H,6-11,17H2,1H3,(H,33,36)(H,34,37)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay				Bioorg Med Chem Lett 18: 1181-94 (2008) Article DOI: 10.1016/j.bmcl.2007.11.134 BindingDB Entry DOI: 10.7270/Q2NS0XPK
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3641 (5-[(3-Bromophenyl)amino]-3-[[N-(carboxymethyl)-N-m...) Show SMILES COC(=O)CN(C)Cc1c[nH]c2cc3ncnc(Nc4cccc(Br)c4)c3cc12 Show InChI InChI=1S/C21H20BrN5O2/c1-27(11-20(28)29-2)10-13-9-23-18-8-19-17(7-16(13)18)21(25-12-24-19)26-15-5-3-4-14(22)6-15/h3-9,12,23H,10-11H2,1-2H3,(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.55	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition autophosphorylation of EGFR in human DiFi cells after 2 hrs by ELISA				Eur J Med Chem 43: 781-91 (2008) Article DOI: 10.1016/j.ejmech.2007.06.006 BindingDB Entry DOI: 10.7270/Q2DJ5GXN
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3639 (5-[(3-Bromophenyl)amino]-3-[(4-morpholino)methyl]-...) Show SMILES Brc1cccc(Nc2ncnc3cc4[nH]cc(CN5CCOCC5)c4cc23)c1 Show InChI InChI=1S/C21H20BrN5O/c22-15-2-1-3-16(8-15)26-21-18-9-17-14(12-27-4-6-28-7-5-27)11-23-19(17)10-20(18)24-13-25-21/h1-3,8-11,13,23H,4-7,12H2,(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.55	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition autophosphorylation of EGFR in human DiFi cells after 2 hrs by ELISA				Eur J Med Chem 43: 781-91 (2008) Article DOI: 10.1016/j.ejmech.2007.06.006 BindingDB Entry DOI: 10.7270/Q2DJ5GXN
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3638 (5-[(3-Bromophenyl)amino]-3-[(N,N-dimethylamino)-me...) Show SMILES CN(C)Cc1c[nH]c2cc3ncnc(Nc4cccc(Br)c4)c3cc12 Show InChI InChI=1S/C19H18BrN5/c1-25(2)10-12-9-21-17-8-18-16(7-15(12)17)19(23-11-22-18)24-14-5-3-4-13(20)6-14/h3-9,11,21H,10H2,1-2H3,(H,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.77	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition autophosphorylation of EGFR in human DiFi cells after 2 hrs by ELISA				Eur J Med Chem 43: 781-91 (2008) Article DOI: 10.1016/j.ejmech.2007.06.006 BindingDB Entry DOI: 10.7270/Q2DJ5GXN
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3624 (5-[(3-Bromophenyl)amino]-1-methylpyrazolo[4,3-g]-q...) Show SMILES Cn1ncc2cc3c(Nc4cccc(Br)c4)ncnc3cc12 Show InChI InChI=1S/C16H12BrN5/c1-22-15-7-14-13(5-10(15)8-20-22)16(19-9-18-14)21-12-4-2-3-11(17)6-12/h2-9H,1H3,(H,18,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12.9	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition autophosphorylation of EGFR in human DiFi cells after 2 hrs by ELISA				Eur J Med Chem 43: 781-91 (2008) Article DOI: 10.1016/j.ejmech.2007.06.006 BindingDB Entry DOI: 10.7270/Q2DJ5GXN
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3634 (5-[(3-Bromophenyl)amino]-1-[2-(4-morpholino)ethyl]...) Show SMILES Brc1cccc(Nc2ncnc3cc4n(CCN5CCOCC5)ccc4cc23)c1 Show InChI InChI=1S/C22H22BrN5O/c23-17-2-1-3-18(13-17)26-22-19-12-16-4-5-28(7-6-27-8-10-29-11-9-27)21(16)14-20(19)24-15-25-22/h1-5,12-15H,6-11H2,(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15.8	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition autophosphorylation of EGFR in human DiFi cells after 2 hrs by ELISA				Eur J Med Chem 43: 781-91 (2008) Article DOI: 10.1016/j.ejmech.2007.06.006 BindingDB Entry DOI: 10.7270/Q2DJ5GXN
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50478033 (CHEMBL257667) Show SMILES COCCOCCOc1ccc(NC(=O)COc2ccc(Cl)cc2C(=O)c2cc(F)cc(c2)C(F)(F)F)c(C)c1 Show InChI InChI=1S/C28H26ClF4NO6/c1-17-11-22(39-10-9-38-8-7-37-2)4-5-24(17)34-26(35)16-40-25-6-3-20(29)15-23(25)27(36)18-12-19(28(31,32)33)14-21(30)13-18/h3-6,11-15H,7-10,16H2,1-2H3,(H,34,35)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay				Bioorg Med Chem Lett 18: 1181-94 (2008) Article DOI: 10.1016/j.bmcl.2007.11.134 BindingDB Entry DOI: 10.7270/Q2NS0XPK
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3582 (5-[(3-Bromophenyl)amino]-1H-pyrazolo[4,3-g]quinazo...) Show SMILES Brc1cccc(Nc2ncnc3cc4[nH]ncc4cc23)c1 Show InChI InChI=1S/C15H10BrN5/c16-10-2-1-3-11(5-10)20-15-12-4-9-7-19-21-13(9)6-14(12)17-8-18-15/h1-8H,(H,19,21)(H,17,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19.9	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition autophosphorylation of EGFR in human DiFi cells after 2 hrs by ELISA				Eur J Med Chem 43: 781-91 (2008) Article DOI: 10.1016/j.ejmech.2007.06.006 BindingDB Entry DOI: 10.7270/Q2DJ5GXN
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3583 (5-[(3-Bromophenyl)amino]-1H-pyrrolo[3,2-g]quinazol...) Show SMILES Brc1cccc(Nc2ncnc3cc4[nH]ccc4cc23)c1 Show InChI InChI=1S/C16H11BrN4/c17-11-2-1-3-12(7-11)21-16-13-6-10-4-5-18-14(10)8-15(13)19-9-20-16/h1-9,18H,(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	21.9	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition autophosphorylation of EGFR in human DiFi cells after 2 hrs by ELISA				Eur J Med Chem 43: 781-91 (2008) Article DOI: 10.1016/j.ejmech.2007.06.006 BindingDB Entry DOI: 10.7270/Q2DJ5GXN
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3630 (5-[(3-Bromophenyl)amino]-1-methylpyrrolo[3,2-g]-qu...) Show SMILES Cn1ccc2cc3c(Nc4cccc(Br)c4)ncnc3cc12 Show InChI InChI=1S/C17H13BrN4/c1-22-6-5-11-7-14-15(9-16(11)22)19-10-20-17(14)21-13-4-2-3-12(18)8-13/h2-10H,1H3,(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	21.9	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition autophosphorylation of EGFR in human DiFi cells after 2 hrs by ELISA				Eur J Med Chem 43: 781-91 (2008) Article DOI: 10.1016/j.ejmech.2007.06.006 BindingDB Entry DOI: 10.7270/Q2DJ5GXN
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50478023 (CHEMBL201084) Show SMILES Cc1ccccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(F)cc(F)c1 Show InChI InChI=1S/C22H16ClF2NO3/c1-13-4-2-3-5-19(13)26-21(27)12-29-20-7-6-15(23)10-18(20)22(28)14-8-16(24)11-17(25)9-14/h2-11H,12H2,1H3,(H,26,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay				Bioorg Med Chem Lett 18: 1181-94 (2008) Article DOI: 10.1016/j.bmcl.2007.11.134 BindingDB Entry DOI: 10.7270/Q2NS0XPK
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM5052 (5-bromo-N-[(2Z)-4-chloro-3-methyl-5-(propan-2-yl)-...) Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cc(Br)ccc2O)n(C)c1Cl Show InChI InChI=1S/C13H14BrClN2O3S2/c1-7(2)11-12(15)17(3)13(21-11)16-22(19,20)10-6-8(14)4-5-9(10)18/h4-7,18H,1-3H3/b16-13-	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay				Bioorg Med Chem Lett 18: 1181-94 (2008) Article DOI: 10.1016/j.bmcl.2007.11.134 BindingDB Entry DOI: 10.7270/Q2NS0XPK
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50478037 (CHEMBL382269) Show SMILES Cc1cc(ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1ccc(cc1)C#N)N1CC[S+]([O-])CC1 Show InChI InChI=1S/C27H24ClN3O4S/c1-18-14-22(31-10-12-36(34)13-11-31)7-8-24(18)30-26(32)17-35-25-9-6-21(28)15-23(25)27(33)20-4-2-19(16-29)3-5-20/h2-9,14-15H,10-13,17H2,1H3,(H,30,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay				Bioorg Med Chem Lett 18: 1181-94 (2008) Article DOI: 10.1016/j.bmcl.2007.11.134 BindingDB Entry DOI: 10.7270/Q2NS0XPK
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3631 (3-{4-[(3-bromophenyl)amino]-8H-pyrrolo[3,2-g]quina...) Show SMILES OCC(O)Cn1ccc2cc3c(Nc4cccc(Br)c4)ncnc3cc12 Show InChI InChI=1S/C19H17BrN4O2/c20-13-2-1-3-14(7-13)23-19-16-6-12-4-5-24(9-15(26)10-25)18(12)8-17(16)21-11-22-19/h1-8,11,15,25-26H,9-10H2,(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49.0	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition autophosphorylation of EGFR in human DiFi cells after 2 hrs by ELISA				Eur J Med Chem 43: 781-91 (2008) Article DOI: 10.1016/j.ejmech.2007.06.006 BindingDB Entry DOI: 10.7270/Q2DJ5GXN
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50478045 (CHEMBL382644) Show SMILES Fc1cc(F)cc(c1)C(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)nc1 Show InChI InChI=1S/C20H12Cl2F2N2O3/c21-12-1-3-17(29-10-19(27)26-15-2-4-18(22)25-9-15)16(7-12)20(28)11-5-13(23)8-14(24)6-11/h1-9H,10H2,(H,26,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay				Bioorg Med Chem Lett 18: 1181-94 (2008) Article DOI: 10.1016/j.bmcl.2007.11.134 BindingDB Entry DOI: 10.7270/Q2NS0XPK
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3032 (CHEMBL1204168 | CHEMBL29197 | N-(3-bromophenyl)-6,...) Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC Show InChI InChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70.8	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition autophosphorylation of EGFR in human DiFi cells after 2 hrs by ELISA				Eur J Med Chem 43: 781-91 (2008) Article DOI: 10.1016/j.ejmech.2007.06.006 BindingDB Entry DOI: 10.7270/Q2DJ5GXN
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50478031 (CHEMBL201372) Show SMILES COc1ccc(NC(=O)COc2ccc(Cl)cc2C(=O)c2cc(F)cc(F)c2)cn1 Show InChI InChI=1S/C21H15ClF2N2O4/c1-29-20-5-3-16(10-25-20)26-19(27)11-30-18-4-2-13(22)8-17(18)21(28)12-6-14(23)9-15(24)7-12/h2-10H,11H2,1H3,(H,26,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay				Bioorg Med Chem Lett 18: 1181-94 (2008) Article DOI: 10.1016/j.bmcl.2007.11.134 BindingDB Entry DOI: 10.7270/Q2NS0XPK
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3635 (5-[(3-Bromophenyl)amino]-1-[3-(4-morpholino)propyl...) Show SMILES Brc1cccc(Nc2ncnc3cc4n(CCCN5CCOCC5)ccc4cc23)c1 Show InChI InChI=1S/C23H24BrN5O/c24-18-3-1-4-19(14-18)27-23-20-13-17-5-8-29(22(17)15-21(20)25-16-26-23)7-2-6-28-9-11-30-12-10-28/h1,3-5,8,13-16H,2,6-7,9-12H2,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	77.6	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition autophosphorylation of EGFR in human DiFi cells after 2 hrs by ELISA				Eur J Med Chem 43: 781-91 (2008) Article DOI: 10.1016/j.ejmech.2007.06.006 BindingDB Entry DOI: 10.7270/Q2DJ5GXN
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM31090 ((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...) Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C24H23ClFN5O2/c1-4-33-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(15(13-27)14-28-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)(H,30,32)/b6-5+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	79.4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition autophosphorylation of EGFR in human DiFi cells after 2 hrs by ELISA				Eur J Med Chem 43: 781-91 (2008) Article DOI: 10.1016/j.ejmech.2007.06.006 BindingDB Entry DOI: 10.7270/Q2DJ5GXN
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3640 (5-[(3-Bromophenyl)amino]-3-[(N,N,N-trimethylethyle...) Show SMILES CN(C)CCN(C)Cc1c[nH]c2cc3ncnc(Nc4cccc(Br)c4)c3cc12 Show InChI InChI=1S/C22H25BrN6/c1-28(2)7-8-29(3)13-15-12-24-20-11-21-19(10-18(15)20)22(26-14-25-21)27-17-6-4-5-16(23)9-17/h4-6,9-12,14,24H,7-8,13H2,1-3H3,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	81.3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition autophosphorylation of EGFR in human DiFi cells after 2 hrs by ELISA				Eur J Med Chem 43: 781-91 (2008) Article DOI: 10.1016/j.ejmech.2007.06.006 BindingDB Entry DOI: 10.7270/Q2DJ5GXN
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50122578 (4-Dimethylamino-but-2-ynoic acid [4-(3-bromo-pheny...) Show SMILES COc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1NC(=O)C#CCN(C)C Show InChI InChI=1S/C23H20BrN5O2/c1-29(2)9-5-8-22(30)28-20-11-18-19(12-21(20)31-3)26-14-15(13-25)23(18)27-17-7-4-6-16(24)10-17/h4,6-7,10-12,14H,9H2,1-3H3,(H,26,27)(H,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	89.1	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition autophosphorylation of EGFR in human DiFi cells after 2 hrs by ELISA				Eur J Med Chem 43: 781-91 (2008) Article DOI: 10.1016/j.ejmech.2007.06.006 BindingDB Entry DOI: 10.7270/Q2DJ5GXN
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50478054 (CHEMBL202822) Show SMILES Cc1cc(cc(c1)C(=O)c1cc(Cl)ccc1OCC(=O)Nc1ncc(cc1C)S(N)(=O)=O)C#N Show InChI InChI=1S/C23H19ClN4O5S/c1-13-5-15(10-25)8-16(6-13)22(30)19-9-17(24)3-4-20(19)33-12-21(29)28-23-14(2)7-18(11-27-23)34(26,31)32/h3-9,11H,12H2,1-2H3,(H2,26,31,32)(H,27,28,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay				Bioorg Med Chem Lett 18: 1181-94 (2008) Article DOI: 10.1016/j.bmcl.2007.11.134 BindingDB Entry DOI: 10.7270/Q2NS0XPK
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50478052 (CHEMBL382630) Show SMILES Cc1cc(ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(Br)cc(c1)C(F)(F)F)S(N)(=O)=O Show InChI InChI=1S/C23H17BrClF3N2O5S/c1-12-6-17(36(29,33)34)3-4-19(12)30-21(31)11-35-20-5-2-16(25)10-18(20)22(32)13-7-14(23(26,27)28)9-15(24)8-13/h2-10H,11H2,1H3,(H,30,31)(H2,29,33,34)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay				Bioorg Med Chem Lett 18: 1181-94 (2008) Article DOI: 10.1016/j.bmcl.2007.11.134 BindingDB Entry DOI: 10.7270/Q2NS0XPK
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50478035 (CHEMBL201352) Show SMILES CCN(CC)CCCNc1ccc(NC(=O)COc2ccc(Cl)cc2C(=O)c2cc(F)cc(F)c2)c(C)c1 Show InChI InChI=1S/C29H32ClF2N3O3/c1-4-35(5-2)12-6-11-33-24-8-9-26(19(3)13-24)34-28(36)18-38-27-10-7-21(30)16-25(27)29(37)20-14-22(31)17-23(32)15-20/h7-10,13-17,33H,4-6,11-12,18H2,1-3H3,(H,34,36)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay				Bioorg Med Chem Lett 18: 1181-94 (2008) Article DOI: 10.1016/j.bmcl.2007.11.134 BindingDB Entry DOI: 10.7270/Q2NS0XPK
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50478038 (CHEMBL372818) Show SMILES Cc1cc(ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1ccccc1)N1CC[S+]([O-])CC1 Show InChI InChI=1S/C26H25ClN2O4S/c1-18-15-21(29-11-13-34(32)14-12-29)8-9-23(18)28-25(30)17-33-24-10-7-20(27)16-22(24)26(31)19-5-3-2-4-6-19/h2-10,15-16H,11-14,17H2,1H3,(H,28,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay				Bioorg Med Chem Lett 18: 1181-94 (2008) Article DOI: 10.1016/j.bmcl.2007.11.134 BindingDB Entry DOI: 10.7270/Q2NS0XPK
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50478043 (CHEMBL200988) Show SMILES Cc1cc(NCCCN2CCCC2)ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(F)cc(F)c1 Show InChI InChI=1S/C29H30ClF2N3O3/c1-19-13-24(33-9-4-12-35-10-2-3-11-35)6-7-26(19)34-28(36)18-38-27-8-5-21(30)16-25(27)29(37)20-14-22(31)17-23(32)15-20/h5-8,13-17,33H,2-4,9-12,18H2,1H3,(H,34,36)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay				Bioorg Med Chem Lett 18: 1181-94 (2008) Article DOI: 10.1016/j.bmcl.2007.11.134 BindingDB Entry DOI: 10.7270/Q2NS0XPK
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50122565 (4-Dipropylamino-but-2-ynoic acid [4-(3-bromo-pheny...) Show SMILES CCCN(CCC)CC#CC(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C26H26BrN5O/c1-3-12-32(13-4-2)14-6-9-25(33)30-22-10-11-24-23(16-22)26(19(17-28)18-29-24)31-21-8-5-7-20(27)15-21/h5,7-8,10-11,15-16,18H,3-4,12-14H2,1-2H3,(H,29,31)(H,30,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	129	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition autophosphorylation of EGFR in human DiFi cells after 2 hrs by ELISA				Eur J Med Chem 43: 781-91 (2008) Article DOI: 10.1016/j.ejmech.2007.06.006 BindingDB Entry DOI: 10.7270/Q2DJ5GXN
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3637 (2-[({4-[(3-bromophenyl)amino]-8H-pyrrolo[3,2-g]qui...) Show SMILES OCCN(CCO)Cc1c[nH]c2cc3ncnc(Nc4cccc(Br)c4)c3cc12 Show InChI InChI=1S/C21H22BrN5O2/c22-15-2-1-3-16(8-15)26-21-18-9-17-14(12-27(4-6-28)5-7-29)11-23-19(17)10-20(18)24-13-25-21/h1-3,8-11,13,23,28-29H,4-7,12H2,(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	135	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition autophosphorylation of EGFR in human DiFi cells after 2 hrs by ELISA				Eur J Med Chem 43: 781-91 (2008) Article DOI: 10.1016/j.ejmech.2007.06.006 BindingDB Entry DOI: 10.7270/Q2DJ5GXN
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50478041 (CHEMBL271451) Show SMILES Cc1cc(ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cncc(c1)C#N)S(N)(=O)=O Show InChI InChI=1S/C22H17ClN4O5S/c1-13-6-17(33(25,30)31)3-4-19(13)27-21(28)12-32-20-5-2-16(23)8-18(20)22(29)15-7-14(9-24)10-26-11-15/h2-8,10-11H,12H2,1H3,(H,27,28)(H2,25,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	141	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay				Bioorg Med Chem Lett 18: 1181-94 (2008) Article DOI: 10.1016/j.bmcl.2007.11.134 BindingDB Entry DOI: 10.7270/Q2NS0XPK
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3632 (5-[(3-Bromophenyl)amino]-1-[2-(N,N-dimethylamino)-...) Show SMILES CN(C)CCn1ccc2cc3c(Nc4cccc(Br)c4)ncnc3cc12 Show InChI InChI=1S/C20H20BrN5/c1-25(2)8-9-26-7-6-14-10-17-18(12-19(14)26)22-13-23-20(17)24-16-5-3-4-15(21)11-16/h3-7,10-13H,8-9H2,1-2H3,(H,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	145	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition autophosphorylation of EGFR in human DiFi cells after 2 hrs by ELISA				Eur J Med Chem 43: 781-91 (2008) Article DOI: 10.1016/j.ejmech.2007.06.006 BindingDB Entry DOI: 10.7270/Q2DJ5GXN
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50122570 ((2S)4-(2-Methoxymethyl-pyrrolidin-1-yl)-but-2-ynoi...) Show SMILES COCC1CCCN1CC#CC(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C26H24BrN5O2/c1-34-17-22-7-3-11-32(22)12-4-8-25(33)30-21-9-10-24-23(14-21)26(18(15-28)16-29-24)31-20-6-2-5-19(27)13-20/h2,5-6,9-10,13-14,16,22H,3,7,11-12,17H2,1H3,(H,29,31)(H,30,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	151	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition autophosphorylation of EGFR in human DiFi cells after 2 hrs by ELISA				Eur J Med Chem 43: 781-91 (2008) Article DOI: 10.1016/j.ejmech.2007.06.006 BindingDB Entry DOI: 10.7270/Q2DJ5GXN
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50478051 (CHEMBL383375) Show SMILES Cc1cc(ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1ccccc1C#N)N1CC[S+]([O-])CC1 Show InChI InChI=1S/C27H24ClN3O4S/c1-18-14-21(31-10-12-36(34)13-11-31)7-8-24(18)30-26(32)17-35-25-9-6-20(28)15-23(25)27(33)22-5-3-2-4-19(22)16-29/h2-9,14-15H,10-13,17H2,1H3,(H,30,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	155	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay				Bioorg Med Chem Lett 18: 1181-94 (2008) Article DOI: 10.1016/j.bmcl.2007.11.134 BindingDB Entry DOI: 10.7270/Q2NS0XPK
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM5051 (5-Chloro-N-(4-chloro-5-isopropyl-3-methyl-13-thiaz...) Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cc(Cl)ccc2O)n(C)c1Cl Show InChI InChI=1S/C13H14Cl2N2O3S2/c1-7(2)11-12(15)17(3)13(21-11)16-22(19,20)10-6-8(14)4-5-9(10)18/h4-7,18H,1-3H3/b16-13-	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay				Bioorg Med Chem Lett 18: 1181-94 (2008) Article DOI: 10.1016/j.bmcl.2007.11.134 BindingDB Entry DOI: 10.7270/Q2NS0XPK
					More data for this Ligand-Target Pair

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