Compile Data Set for Download or QSAR

Found 214 hits with Last Name = 'wang' and Initial = 'xl'   

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
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50463712 (CHEMBL4247248) Show SMILES Cc1cc(-c2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)c2c(N)onc2n1 Show InChI InChI=1S/C21H15ClF3N5O2/c1-10-8-14(17-18(26)32-30-19(17)27-10)11-2-4-12(5-3-11)28-20(31)29-13-6-7-16(22)15(9-13)21(23,24)25/h2-9H,26H2,1H3,(H2,28,29,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116937 BindingDB Entry DOI: 10.7270/Q27S7SRR
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM21079 (1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-...) Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1 Show InChI InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)	PDB NCI pathway Reactome pathway 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	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116937 BindingDB Entry DOI: 10.7270/Q27S7SRR
					More data for this Ligand-Target Pair
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 Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM2483 ((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...) Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r| Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase p66/p51 assessed as inhibition of biotin-dUTP incorporation using poly (rA)/oligo(dT)16 as template/primer i...				Eur J Med Chem 102: 215-22 (2015) Article DOI: 10.1016/j.ejmech.2015.08.007 BindingDB Entry DOI: 10.7270/Q29Z97W1
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM2483 ((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...) Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r| Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 assessed as reduction in biotin-labeled dUTP incorporation into DNA using poly...				Eur J Med Chem 97: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2015.04.050 BindingDB Entry DOI: 10.7270/Q22Z178R
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50427225 (CHEMBL2325101) Show SMILES Clc1ccc(cc1Cl)C1=NN(C(C1)c1ccc2ccccc2c1)c1ccccc1 |t:9| Show InChI InChI=1S/C25H18Cl2N2/c26-22-13-12-19(15-23(22)27)24-16-25(29(28-24)21-8-2-1-3-9-21)20-11-10-17-6-4-5-7-18(17)14-20/h1-15,25H,16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50498739 (CHEMBL3621395) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(n1)S(=O)(=O)CC(=O)Nc1ccc(cc1)[N+]([O-])=O)C#N Show InChI InChI=1S/C21H17N5O6S/c1-13-9-15(11-22)10-14(2)20(13)32-19-7-8-23-21(25-19)33(30,31)12-18(27)24-16-3-5-17(6-4-16)26(28)29/h3-10H,12H2,1-2H3,(H,24,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase p66/p51 assessed as inhibition of biotin-dUTP incorporation using poly (rA)/oligo(dT)16 as template/primer i...				Eur J Med Chem 102: 215-22 (2015) Article DOI: 10.1016/j.ejmech.2015.08.007 BindingDB Entry DOI: 10.7270/Q29Z97W1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50427226 (CHEMBL2325100) Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)c1ccccc1 |t:8| Show InChI InChI=1S/C26H22N2/c1-19-11-13-21(14-12-19)25-18-26(28(27-25)24-9-3-2-4-10-24)23-16-15-20-7-5-6-8-22(20)17-23/h2-17,26H,18H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50498747 (CHEMBL3621392) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(n1)S(=O)(=O)CC(=O)Nc1ccc(cc1)C#N)C#N Show InChI InChI=1S/C22H17N5O4S/c1-14-9-17(12-24)10-15(2)21(14)31-20-7-8-25-22(27-20)32(29,30)13-19(28)26-18-5-3-16(11-23)4-6-18/h3-10H,13H2,1-2H3,(H,26,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase p66/p51 assessed as inhibition of biotin-dUTP incorporation using poly (rA)/oligo(dT)16 as template/primer i...				Eur J Med Chem 102: 215-22 (2015) Article DOI: 10.1016/j.ejmech.2015.08.007 BindingDB Entry DOI: 10.7270/Q29Z97W1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50427227 (CHEMBL2325092) Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1cccc2ccccc12)c1ccccc1 |t:9| Show InChI InChI=1S/C26H22N2O/c1-29-22-16-14-20(15-17-22)25-18-26(28(27-25)21-10-3-2-4-11-21)24-13-7-9-19-8-5-6-12-23(19)24/h2-17,26H,18H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50088017 (CHEMBL3427057) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(NC2CCN(CC(=O)Nc3ccc(O)cc3)CC2)n1)C#N Show InChI InChI=1S/C26H28N6O3/c1-17-13-19(15-27)14-18(2)25(17)35-24-7-10-28-26(31-24)30-21-8-11-32(12-9-21)16-23(34)29-20-3-5-22(33)6-4-20/h3-7,10,13-14,21,33H,8-9,11-12,16H2,1-2H3,(H,29,34)(H,28,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 assessed as reduction in biotin-labeled dUTP incorporation into DNA using poly...				Eur J Med Chem 97: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2015.04.050 BindingDB Entry DOI: 10.7270/Q22Z178R
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50427233 (CHEMBL2325097) Show SMILES Clc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)c1ccccc1 |t:8| Show InChI InChI=1S/C25H19ClN2/c26-22-14-12-19(13-15-22)24-17-25(28(27-24)23-8-2-1-3-9-23)21-11-10-18-6-4-5-7-20(18)16-21/h1-16,25H,17H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50088018 (CHEMBL3427058) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(NC2CCN(CC(=O)Nc3ccc(cc3)S(N)(=O)=O)CC2)n1)C#N Show InChI InChI=1S/C26H29N7O4S/c1-17-13-19(15-27)14-18(2)25(17)37-24-7-10-29-26(32-24)31-21-8-11-33(12-9-21)16-23(34)30-20-3-5-22(6-4-20)38(28,35)36/h3-7,10,13-14,21H,8-9,11-12,16H2,1-2H3,(H,30,34)(H2,28,35,36)(H,29,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	116	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 assessed as reduction in biotin-labeled dUTP incorporation into DNA using poly...				Eur J Med Chem 97: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2015.04.050 BindingDB Entry DOI: 10.7270/Q22Z178R
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50427231 (CHEMBL2325099) Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)c1ccccc1 |t:9| Show InChI InChI=1S/C26H22N2O/c1-29-24-15-13-20(14-16-24)25-18-26(28(27-25)23-9-3-2-4-10-23)22-12-11-19-7-5-6-8-21(19)17-22/h2-17,26H,18H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50088016 (CHEMBL3427056) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(NC2CCN(CC(=O)Nc3ccc(cc3)[N+]([O-])=O)CC2)n1)C#N Show InChI InChI=1S/C26H27N7O4/c1-17-13-19(15-27)14-18(2)25(17)37-24-7-10-28-26(31-24)30-21-8-11-32(12-9-21)16-23(34)29-20-3-5-22(6-4-20)33(35)36/h3-7,10,13-14,21H,8-9,11-12,16H2,1-2H3,(H,29,34)(H,28,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	136	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 assessed as reduction in biotin-labeled dUTP incorporation into DNA using poly...				Eur J Med Chem 97: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2015.04.050 BindingDB Entry DOI: 10.7270/Q22Z178R
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50427236 (CHEMBL2325094) Show SMILES Clc1ccc(cc1Cl)C1=NN(C(C1)c1cccc2ccccc12)c1ccccc1 |t:9| Show InChI InChI=1S/C25H18Cl2N2/c26-22-14-13-18(15-23(22)27)24-16-25(29(28-24)19-9-2-1-3-10-19)21-12-6-8-17-7-4-5-11-20(17)21/h1-15,25H,16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50088015 (CHEMBL3426974) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(NC2CCN(CC(=O)Nc3cccc(c3)[N+]([O-])=O)CC2)n1)C#N Show InChI InChI=1S/C26H27N7O4/c1-17-12-19(15-27)13-18(2)25(17)37-24-6-9-28-26(31-24)30-20-7-10-32(11-8-20)16-23(34)29-21-4-3-5-22(14-21)33(35)36/h3-6,9,12-14,20H,7-8,10-11,16H2,1-2H3,(H,29,34)(H,28,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	156	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 assessed as reduction in biotin-labeled dUTP incorporation into DNA using poly...				Eur J Med Chem 97: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2015.04.050 BindingDB Entry DOI: 10.7270/Q22Z178R
					More data for this Ligand-Target Pair
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	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant HER-2 cytoplasmic domain (676 to 1245) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50427230 (CHEMBL2325106) Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1cccc2ccccc12)C(N)=S |t:9| Show InChI InChI=1S/C21H19N3OS/c1-25-16-11-9-15(10-12-16)19-13-20(24(23-19)21(22)26)18-8-4-6-14-5-2-3-7-17(14)18/h2-12,20H,13H2,1H3,(H2,22,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50088019 (CHEMBL3427059) Show SMILES Cc1cc(ccc1NC(=O)CN1CCC(CC1)Nc1nccc(Oc2c(C)cc(cc2C)C#N)n1)S(N)(=O)=O Show InChI InChI=1S/C27H31N7O4S/c1-17-14-22(39(29,36)37)4-5-23(17)32-24(35)16-34-10-7-21(8-11-34)31-27-30-9-6-25(33-27)38-26-18(2)12-20(15-28)13-19(26)3/h4-6,9,12-14,21H,7-8,10-11,16H2,1-3H3,(H,32,35)(H2,29,36,37)(H,30,31,33)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	166	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 assessed as reduction in biotin-labeled dUTP incorporation into DNA using poly...				Eur J Med Chem 97: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2015.04.050 BindingDB Entry DOI: 10.7270/Q22Z178R
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50088011 (CHEMBL3426972) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(NC2CCN(CC(=O)Nc3ccc(cc3F)C#N)CC2)n1)C#N Show InChI InChI=1S/C27H26FN7O2/c1-17-11-20(15-30)12-18(2)26(17)37-25-5-8-31-27(34-25)32-21-6-9-35(10-7-21)16-24(36)33-23-4-3-19(14-29)13-22(23)28/h3-5,8,11-13,21H,6-7,9-10,16H2,1-2H3,(H,33,36)(H,31,32,34)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	174	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 assessed as reduction in biotin-labeled dUTP incorporation into DNA using poly...				Eur J Med Chem 97: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2015.04.050 BindingDB Entry DOI: 10.7270/Q22Z178R
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50498755 (CHEMBL3621389) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(n1)S(=O)(=O)CC(=O)Nc1ccc(Cl)c(Cl)c1)C#N Show InChI InChI=1S/C21H16Cl2N4O4S/c1-12-7-14(10-24)8-13(2)20(12)31-19-5-6-25-21(27-19)32(29,30)11-18(28)26-15-3-4-16(22)17(23)9-15/h3-9H,11H2,1-2H3,(H,26,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	177	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase p66/p51 assessed as inhibition of biotin-dUTP incorporation using poly (rA)/oligo(dT)16 as template/primer i...				Eur J Med Chem 102: 215-22 (2015) Article DOI: 10.1016/j.ejmech.2015.08.007 BindingDB Entry DOI: 10.7270/Q29Z97W1
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50087999 (CHEMBL3426956) Show SMILES Cc1ccc(NC(=O)CN2CCC(CC2)Nc2nccc(Oc3c(C)cc(cc3C)C#N)n2)cc1 Show InChI InChI=1S/C27H30N6O2/c1-18-4-6-22(7-5-18)30-24(34)17-33-12-9-23(10-13-33)31-27-29-11-8-25(32-27)35-26-19(2)14-21(16-28)15-20(26)3/h4-8,11,14-15,23H,9-10,12-13,17H2,1-3H3,(H,30,34)(H,29,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	181	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 assessed as reduction in biotin-labeled dUTP incorporation into DNA using poly...				Eur J Med Chem 97: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2015.04.050 BindingDB Entry DOI: 10.7270/Q22Z178R
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50088012 (CHEMBL3426973) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(NC2CCN(CC(=O)Nc3ccccc3[N+]([O-])=O)CC2)n1)C#N Show InChI InChI=1S/C26H27N7O4/c1-17-13-19(15-27)14-18(2)25(17)37-24-7-10-28-26(31-24)29-20-8-11-32(12-9-20)16-23(34)30-21-5-3-4-6-22(21)33(35)36/h3-7,10,13-14,20H,8-9,11-12,16H2,1-2H3,(H,30,34)(H,28,29,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	193	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 assessed as reduction in biotin-labeled dUTP incorporation into DNA using poly...				Eur J Med Chem 97: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2015.04.050 BindingDB Entry DOI: 10.7270/Q22Z178R
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50087957 (CHEMBL3426953) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(NC2CCN(CC(=O)Nc3ccccc3)CC2)n1)C#N Show InChI InChI=1S/C26H28N6O2/c1-18-14-20(16-27)15-19(2)25(18)34-24-8-11-28-26(31-24)30-22-9-12-32(13-10-22)17-23(33)29-21-6-4-3-5-7-21/h3-8,11,14-15,22H,9-10,12-13,17H2,1-2H3,(H,29,33)(H,28,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	199	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 assessed as reduction in biotin-labeled dUTP incorporation into DNA using poly...				Eur J Med Chem 97: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2015.04.050 BindingDB Entry DOI: 10.7270/Q22Z178R
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50427237 (CHEMBL2325093) Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1cccc2ccccc12)c1ccccc1 |t:8| Show InChI InChI=1S/C26H22N2/c1-19-14-16-21(17-15-19)25-18-26(28(27-25)22-10-3-2-4-11-22)24-13-7-9-20-8-5-6-12-23(20)24/h2-17,26H,18H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50088010 (CHEMBL3426962) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(NC2CCN(CC(=O)Nc3ccc(F)cc3)CC2)n1)C#N Show InChI InChI=1S/C26H27FN6O2/c1-17-13-19(15-28)14-18(2)25(17)35-24-7-10-29-26(32-24)31-22-8-11-33(12-9-22)16-23(34)30-21-5-3-20(27)4-6-21/h3-7,10,13-14,22H,8-9,11-12,16H2,1-2H3,(H,30,34)(H,29,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	204	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 assessed as reduction in biotin-labeled dUTP incorporation into DNA using poly...				Eur J Med Chem 97: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2015.04.050 BindingDB Entry DOI: 10.7270/Q22Z178R
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50088007 (CHEMBL3426960) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(NC2CCN(CC(=O)Nc3ccccc3F)CC2)n1)C#N Show InChI InChI=1S/C26H27FN6O2/c1-17-13-19(15-28)14-18(2)25(17)35-24-7-10-29-26(32-24)30-20-8-11-33(12-9-20)16-23(34)31-22-6-4-3-5-21(22)27/h3-7,10,13-14,20H,8-9,11-12,16H2,1-2H3,(H,31,34)(H,29,30,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	207	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 assessed as reduction in biotin-labeled dUTP incorporation into DNA using poly...				Eur J Med Chem 97: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2015.04.050 BindingDB Entry DOI: 10.7270/Q22Z178R
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50427247 (CHEMBL2325108) Show SMILES NC(=S)N1N=C(CC1c1cccc2ccccc12)c1ccc(Cl)c(Cl)c1 |c:4| Show InChI InChI=1S/C20H15Cl2N3S/c21-16-9-8-13(10-17(16)22)18-11-19(25(24-18)20(23)26)15-7-3-5-12-4-1-2-6-14(12)15/h1-10,19H,11H2,(H2,23,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50498742 (CHEMBL3623094) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(n1)S(=O)(=O)CC(=O)Nc1cccc(F)c1)C#N Show InChI InChI=1S/C21H17FN4O4S/c1-13-8-15(11-23)9-14(2)20(13)30-19-6-7-24-21(26-19)31(28,29)12-18(27)25-17-5-3-4-16(22)10-17/h3-10H,12H2,1-2H3,(H,25,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase p66/p51 assessed as inhibition of biotin-dUTP incorporation using poly (rA)/oligo(dT)16 as template/primer i...				Eur J Med Chem 102: 215-22 (2015) Article DOI: 10.1016/j.ejmech.2015.08.007 BindingDB Entry DOI: 10.7270/Q29Z97W1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50427235 (CHEMBL2325095) Show SMILES C1C(N(N=C1c1ccccc1)c1ccccc1)c1ccc2ccccc2c1 |c:3| Show InChI InChI=1S/C25H20N2/c1-3-10-20(11-4-1)24-18-25(27(26-24)23-13-5-2-6-14-23)22-16-15-19-9-7-8-12-21(19)17-22/h1-17,25H,18H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50592856 (CHEMBL5206070) Show SMILES Cc1cc(-c2ccc(NC(=O)Nc3ccc(NC(=O)C=C)cc3)cc2)c2c(N)onc2n1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	256	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116937 BindingDB Entry DOI: 10.7270/Q27S7SRR
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50498751 (CHEMBL3621393) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(n1)S(=O)(=O)CC(=O)Nc1ccc(cc1F)C#N)C#N Show InChI InChI=1S/C22H16FN5O4S/c1-13-7-16(11-25)8-14(2)21(13)32-20-5-6-26-22(28-20)33(30,31)12-19(29)27-18-4-3-15(10-24)9-17(18)23/h3-9H,12H2,1-2H3,(H,27,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	296	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase p66/p51 assessed as inhibition of biotin-dUTP incorporation using poly (rA)/oligo(dT)16 as template/primer i...				Eur J Med Chem 102: 215-22 (2015) Article DOI: 10.1016/j.ejmech.2015.08.007 BindingDB Entry DOI: 10.7270/Q29Z97W1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50427234 (CHEMBL2325096) Show SMILES Fc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)c1ccccc1 |t:8| Show InChI InChI=1S/C25H19FN2/c26-22-14-12-19(13-15-22)24-17-25(28(27-24)23-8-2-1-3-9-23)21-11-10-18-6-4-5-7-20(18)16-21/h1-16,25H,17H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50427243 (CHEMBL2324871) Show SMILES NC(=S)N1N=C(CC1c1ccc2ccccc2c1)c1ccc(Br)cc1 |c:4| Show InChI InChI=1S/C20H16BrN3S/c21-17-9-7-14(8-10-17)18-12-19(24(23-18)20(22)25)16-6-5-13-3-1-2-4-15(13)11-16/h1-11,19H,12H2,(H2,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50427238 (CHEMBL2325091) Show SMILES Brc1ccc(cc1)C1=NN(C(C1)c1cccc2ccccc12)c1ccccc1 |t:8| Show InChI InChI=1S/C25H19BrN2/c26-20-15-13-19(14-16-20)24-17-25(28(27-24)21-9-2-1-3-10-21)23-12-6-8-18-7-4-5-11-22(18)23/h1-16,25H,17H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50427229 (CHEMBL2324873) Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)C(N)=S |t:8| Show InChI InChI=1S/C21H19N3S/c1-14-6-8-16(9-7-14)19-13-20(24(23-19)21(22)25)18-11-10-15-4-2-3-5-17(15)12-18/h2-12,20H,13H2,1H3,(H2,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50427244 (CHEMBL2324870) Show SMILES NC(=S)N1N=C(CC1c1ccc2ccccc2c1)c1ccc(Cl)cc1 |c:4| Show InChI InChI=1S/C20H16ClN3S/c21-17-9-7-14(8-10-17)18-12-19(24(23-18)20(22)25)16-6-5-13-3-1-2-4-15(13)11-16/h1-11,19H,12H2,(H2,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50427228 (CHEMBL2325087) Show SMILES NC(=S)N1N=C(CC1c1ccc2ccccc2c1)c1ccc(Cl)c(Cl)c1 |c:4| Show InChI InChI=1S/C20H15Cl2N3S/c21-16-8-7-14(10-17(16)22)18-11-19(25(24-18)20(23)26)15-6-5-12-3-1-2-4-13(12)9-15/h1-10,19H,11H2,(H2,23,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50427239 (CHEMBL2325090) Show SMILES Clc1ccc(cc1)C1=NN(C(C1)c1cccc2ccccc12)c1ccccc1 |t:8| Show InChI InChI=1S/C25H19ClN2/c26-20-15-13-19(14-16-20)24-17-25(28(27-24)21-9-2-1-3-10-21)23-12-6-8-18-7-4-5-11-22(18)23/h1-16,25H,17H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50427232 (CHEMBL2325098) Show SMILES Brc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)c1ccccc1 |t:8| Show InChI InChI=1S/C25H19BrN2/c26-22-14-12-19(13-15-22)24-17-25(28(27-24)23-8-2-1-3-9-23)21-11-10-18-6-4-5-7-20(18)16-21/h1-16,25H,17H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50498743 (CHEMBL3621387) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(n1)S(=O)(=O)CC(=O)Nc1ccc(Cl)cc1)C#N Show InChI InChI=1S/C21H17ClN4O4S/c1-13-9-15(11-23)10-14(2)20(13)30-19-7-8-24-21(26-19)31(28,29)12-18(27)25-17-5-3-16(22)4-6-17/h3-10H,12H2,1-2H3,(H,25,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase p66/p51 assessed as inhibition of biotin-dUTP incorporation using poly (rA)/oligo(dT)16 as template/primer i...				Eur J Med Chem 102: 215-22 (2015) Article DOI: 10.1016/j.ejmech.2015.08.007 BindingDB Entry DOI: 10.7270/Q29Z97W1
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50498737 (CHEMBL3621391) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(n1)S(=O)(=O)CC(=O)Nc1ccc(Br)cc1)C#N Show InChI InChI=1S/C21H17BrN4O4S/c1-13-9-15(11-23)10-14(2)20(13)30-19-7-8-24-21(26-19)31(28,29)12-18(27)25-17-5-3-16(22)4-6-17/h3-10H,12H2,1-2H3,(H,25,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	728	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase p66/p51 assessed as inhibition of biotin-dUTP incorporation using poly (rA)/oligo(dT)16 as template/primer i...				Eur J Med Chem 102: 215-22 (2015) Article DOI: 10.1016/j.ejmech.2015.08.007 BindingDB Entry DOI: 10.7270/Q29Z97W1
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50498752 (CHEMBL3623090) Show SMILES Cc1ccc(NC(=O)CS(=O)(=O)c2nccc(Oc3c(C)cc(cc3C)C#N)n2)cc1 Show InChI InChI=1S/C22H20N4O4S/c1-14-4-6-18(7-5-14)25-19(27)13-31(28,29)22-24-9-8-20(26-22)30-21-15(2)10-17(12-23)11-16(21)3/h4-11H,13H2,1-3H3,(H,25,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	766	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase p66/p51 assessed as inhibition of biotin-dUTP incorporation using poly (rA)/oligo(dT)16 as template/primer i...				Eur J Med Chem 102: 215-22 (2015) Article DOI: 10.1016/j.ejmech.2015.08.007 BindingDB Entry DOI: 10.7270/Q29Z97W1
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50427228 (CHEMBL2325087) Show SMILES NC(=S)N1N=C(CC1c1ccc2ccccc2c1)c1ccc(Cl)c(Cl)c1 |c:4| Show InChI InChI=1S/C20H15Cl2N3S/c21-16-8-7-14(10-17(16)22)18-11-19(25(24-18)20(23)26)15-6-5-12-3-1-2-4-13(12)9-15/h1-10,19H,11H2,(H2,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant HER-2 cytoplasmic domain (676 to 1245) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50498748 (CHEMBL3621390) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(n1)S(=O)(=O)CC(=O)Nc1cc(Cl)cc(Cl)c1)C#N Show InChI InChI=1S/C21H16Cl2N4O4S/c1-12-5-14(10-24)6-13(2)20(12)31-19-3-4-25-21(27-19)32(29,30)11-18(28)26-17-8-15(22)7-16(23)9-17/h3-9H,11H2,1-2H3,(H,26,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	918	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase p66/p51 assessed as inhibition of biotin-dUTP incorporation using poly (rA)/oligo(dT)16 as template/primer i...				Eur J Med Chem 102: 215-22 (2015) Article DOI: 10.1016/j.ejmech.2015.08.007 BindingDB Entry DOI: 10.7270/Q29Z97W1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50427250 (CHEMBL2325104) Show SMILES NC(=S)N1N=C(CC1c1cccc2ccccc12)c1ccc(Cl)cc1 |c:4| Show InChI InChI=1S/C20H16ClN3S/c21-15-10-8-14(9-11-15)18-12-19(24(23-18)20(22)25)17-7-3-5-13-4-1-2-6-16(13)17/h1-11,19H,12H2,(H2,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	940	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50498754 (CHEMBL3621386) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(n1)S(=O)(=O)CC(=O)Nc1cccc(Cl)c1)C#N Show InChI InChI=1S/C21H17ClN4O4S/c1-13-8-15(11-23)9-14(2)20(13)30-19-6-7-24-21(26-19)31(28,29)12-18(27)25-17-5-3-4-16(22)10-17/h3-10H,12H2,1-2H3,(H,25,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	978	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase p66/p51 assessed as inhibition of biotin-dUTP incorporation using poly (rA)/oligo(dT)16 as template/primer i...				Eur J Med Chem 102: 215-22 (2015) Article DOI: 10.1016/j.ejmech.2015.08.007 BindingDB Entry DOI: 10.7270/Q29Z97W1
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50427225 (CHEMBL2325101) Show SMILES Clc1ccc(cc1Cl)C1=NN(C(C1)c1ccc2ccccc2c1)c1ccccc1 |t:9| Show InChI InChI=1S/C25H18Cl2N2/c26-22-13-12-19(15-23(22)27)24-16-25(29(28-24)21-8-2-1-3-9-21)20-11-10-17-6-4-5-7-18(17)14-20/h1-15,25H,16H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant HER-2 cytoplasmic domain (676 to 1245) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50427242 (CHEMBL2324872) Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)C(N)=S |t:9| Show InChI InChI=1S/C21H19N3OS/c1-25-18-10-8-15(9-11-18)19-13-20(24(23-19)21(22)26)17-7-6-14-4-2-3-5-16(14)12-17/h2-12,20H,13H2,1H3,(H2,22,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					More data for this Ligand-Target Pair

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