Compile Data Set for Download or QSAR

Found 64 hits with Last Name = 'metwaly' and Initial = 'am'   

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
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50030474 (Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...) Show SMILES CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1 Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	292	n/a	n/a	n/a	n/a	n/a	n/a
Al-Azhar University Curated by ChEMBL					Assay Description Displacement of fluormone-PPARgamma Green from recombinant human N-terminal GST-tagged PPARgamma-LBD by fluorescence polarization assay				Bioorg Med Chem 25: 1496-1513 (2017) Article DOI: 10.1016/j.bmc.2017.01.015 BindingDB Entry DOI: 10.7270/Q2H13463
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50030474 (Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...) Show SMILES CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1 Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	298	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Chemistry Department, Faculty of Pharmacy (Boys), Al-Azhar University, Cairo 11884, Egypt. Curated by ChEMBL					Assay Description Displacement of fluormone-PPARgamma green from GST-tagged PPARgamma-LBD (unknown origin) by fluorescence polarization assay				Bioorg Med Chem 25: 4723-4744 (2017) Article DOI: 10.1016/j.bmc.2017.07.015 BindingDB Entry DOI: 10.7270/Q2DZ0BTW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50211660 (CHEMBL3915254) Show SMILES Cc1nc2ccccc2n(CC(=O)Nc2ccc(cc2)S(=O)(=O)NC(=S)NC2CCCCC2)c1=O Show InChI InChI=1S/C24H27N5O4S2/c1-16-23(31)29(21-10-6-5-9-20(21)25-16)15-22(30)26-18-11-13-19(14-12-18)35(32,33)28-24(34)27-17-7-3-2-4-8-17/h5-6,9-14,17H,2-4,7-8,15H2,1H3,(H,26,30)(H2,27,28,34)	PDB MMDB NCI pathway Reactome pathway 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
Al-Azhar University Curated by ChEMBL					Assay Description Displacement of fluormone-PPARgamma Green from recombinant human N-terminal GST-tagged PPARgamma-LBD by fluorescence polarization assay				Bioorg Med Chem 25: 1496-1513 (2017) Article DOI: 10.1016/j.bmc.2017.01.015 BindingDB Entry DOI: 10.7270/Q2H13463
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50269543 (CHEMBL4068985) Show SMILES COc1ccc(cc1)-n1c(SCC(=O)Nc2ccc(cc2)S(=O)(=O)NC(=O)NC2CCCCC2)nc2ccccc2c1=O Show InChI InChI=1S/C30H31N5O6S2/c1-41-23-15-13-22(14-16-23)35-28(37)25-9-5-6-10-26(25)33-30(35)42-19-27(36)31-21-11-17-24(18-12-21)43(39,40)34-29(38)32-20-7-3-2-4-8-20/h5-6,9-18,20H,2-4,7-8,19H2,1H3,(H,31,36)(H2,32,34,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Chemistry Department, Faculty of Pharmacy (Boys), Al-Azhar University, Cairo 11884, Egypt. Curated by ChEMBL					Assay Description Displacement of fluormone-PPARgamma green from GST-tagged PPARgamma-LBD (unknown origin) by fluorescence polarization assay				Bioorg Med Chem 25: 4723-4744 (2017) Article DOI: 10.1016/j.bmc.2017.07.015 BindingDB Entry DOI: 10.7270/Q2DZ0BTW
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50269553 (CHEMBL4104828) Show SMILES Cc1nc2ccc(Br)cc2c(=O)n1CC(=O)Nc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1 Show InChI InChI=1S/C24H26BrN5O5S/c1-15-26-21-12-7-16(25)13-20(21)23(32)30(15)14-22(31)27-18-8-10-19(11-9-18)36(34,35)29-24(33)28-17-5-3-2-4-6-17/h7-13,17H,2-6,14H2,1H3,(H,27,31)(H2,28,29,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	353	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Chemistry Department, Faculty of Pharmacy (Boys), Al-Azhar University, Cairo 11884, Egypt. Curated by ChEMBL					Assay Description Displacement of fluormone-PPARgamma green from GST-tagged PPARgamma-LBD (unknown origin) by fluorescence polarization assay				Bioorg Med Chem 25: 4723-4744 (2017) Article DOI: 10.1016/j.bmc.2017.07.015 BindingDB Entry DOI: 10.7270/Q2DZ0BTW
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50211669 (CHEMBL3943220) Show SMILES CCCCNC(=S)NS(=O)(=O)c1ccc(NC(=O)Cn2c3ccccc3nc(C)c2=O)cc1 Show InChI InChI=1S/C22H25N5O4S2/c1-3-4-13-23-22(32)26-33(30,31)17-11-9-16(10-12-17)25-20(28)14-27-19-8-6-5-7-18(19)24-15(2)21(27)29/h5-12H,3-4,13-14H2,1-2H3,(H,25,28)(H2,23,26,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	369	n/a	n/a	n/a	n/a	n/a	n/a
Al-Azhar University Curated by ChEMBL					Assay Description Displacement of fluormone-PPARgamma Green from recombinant human N-terminal GST-tagged PPARgamma-LBD by fluorescence polarization assay				Bioorg Med Chem 25: 1496-1513 (2017) Article DOI: 10.1016/j.bmc.2017.01.015 BindingDB Entry DOI: 10.7270/Q2H13463
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50269548 (CHEMBL4069917) Show SMILES CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)cc1 Show InChI InChI=1S/C28H29N5O6S2/c1-3-4-17-29-27(36)32-41(37,38)22-15-9-19(10-16-22)30-25(34)18-40-28-31-24-8-6-5-7-23(24)26(35)33(28)20-11-13-21(39-2)14-12-20/h5-16H,3-4,17-18H2,1-2H3,(H,30,34)(H2,29,32,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	369	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Chemistry Department, Faculty of Pharmacy (Boys), Al-Azhar University, Cairo 11884, Egypt. Curated by ChEMBL					Assay Description Displacement of fluormone-PPARgamma green from GST-tagged PPARgamma-LBD (unknown origin) by fluorescence polarization assay				Bioorg Med Chem 25: 4723-4744 (2017) Article DOI: 10.1016/j.bmc.2017.07.015 BindingDB Entry DOI: 10.7270/Q2DZ0BTW
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50269511 (CHEMBL4072706) Show SMILES Cc1ccc(cc1)-n1c(SCC(=O)Nc2ccc(cc2)S(=O)(=O)NC(=O)Nc2ccccc2)nc2ccccc2c1=O Show InChI InChI=1S/C30H25N5O5S2/c1-20-11-15-23(16-12-20)35-28(37)25-9-5-6-10-26(25)33-30(35)41-19-27(36)31-22-13-17-24(18-14-22)42(39,40)34-29(38)32-21-7-3-2-4-8-21/h2-18H,19H2,1H3,(H,31,36)(H2,32,34,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	371	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Chemistry Department, Faculty of Pharmacy (Boys), Al-Azhar University, Cairo 11884, Egypt. Curated by ChEMBL					Assay Description Displacement of fluormone-PPARgamma green from GST-tagged PPARgamma-LBD (unknown origin) by fluorescence polarization assay				Bioorg Med Chem 25: 4723-4744 (2017) Article DOI: 10.1016/j.bmc.2017.07.015 BindingDB Entry DOI: 10.7270/Q2DZ0BTW
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50269510 (CHEMBL4085687) Show SMILES Cc1ccc(cc1)-n1c(SCC(=O)Nc2ccc(cc2)S(=O)(=O)NC(=O)NC2CCCCC2)nc2ccccc2c1=O Show InChI InChI=1S/C30H31N5O5S2/c1-20-11-15-23(16-12-20)35-28(37)25-9-5-6-10-26(25)33-30(35)41-19-27(36)31-22-13-17-24(18-14-22)42(39,40)34-29(38)32-21-7-3-2-4-8-21/h5-6,9-18,21H,2-4,7-8,19H2,1H3,(H,31,36)(H2,32,34,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	402	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Chemistry Department, Faculty of Pharmacy (Boys), Al-Azhar University, Cairo 11884, Egypt. Curated by ChEMBL					Assay Description Displacement of fluormone-PPARgamma green from GST-tagged PPARgamma-LBD (unknown origin) by fluorescence polarization assay				Bioorg Med Chem 25: 4723-4744 (2017) Article DOI: 10.1016/j.bmc.2017.07.015 BindingDB Entry DOI: 10.7270/Q2DZ0BTW
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50269552 (CHEMBL4080597) Show SMILES CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)Cn2c(CC)nc3ccccc3c2=O)cc1 Show InChI InChI=1S/C23H27N5O5S/c1-3-5-14-24-23(31)27-34(32,33)17-12-10-16(11-13-17)25-21(29)15-28-20(4-2)26-19-9-7-6-8-18(19)22(28)30/h6-13H,3-5,14-15H2,1-2H3,(H,25,29)(H2,24,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	408	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Chemistry Department, Faculty of Pharmacy (Boys), Al-Azhar University, Cairo 11884, Egypt. Curated by ChEMBL					Assay Description Displacement of fluormone-PPARgamma green from GST-tagged PPARgamma-LBD (unknown origin) by fluorescence polarization assay				Bioorg Med Chem 25: 4723-4744 (2017) Article DOI: 10.1016/j.bmc.2017.07.015 BindingDB Entry DOI: 10.7270/Q2DZ0BTW
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50269542 (CHEMBL4093428) Show SMILES CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1 Show InChI InChI=1S/C28H29N5O5S2/c1-3-4-17-29-27(36)32-40(37,38)22-15-11-20(12-16-22)30-25(34)18-39-28-31-24-8-6-5-7-23(24)26(35)33(28)21-13-9-19(2)10-14-21/h5-16H,3-4,17-18H2,1-2H3,(H,30,34)(H2,29,32,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	434	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Chemistry Department, Faculty of Pharmacy (Boys), Al-Azhar University, Cairo 11884, Egypt. Curated by ChEMBL					Assay Description Displacement of fluormone-PPARgamma green from GST-tagged PPARgamma-LBD (unknown origin) by fluorescence polarization assay				Bioorg Med Chem 25: 4723-4744 (2017) Article DOI: 10.1016/j.bmc.2017.07.015 BindingDB Entry DOI: 10.7270/Q2DZ0BTW
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50549123 (CHEMBL4779272) Show SMILES C\C(=N/NC(=O)c1cc(ccc1Cl)[N+]([O-])=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	452	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human VEGFR2 incubated for 2.5 hrs by ELISA				Citation and Details Article DOI: 10.1016/j.bmc.2020.115872 BindingDB Entry DOI: 10.7270/Q2KH0RZQ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50269549 (CHEMBL4097121) Show SMILES Cc1nc2ccccc2c(=O)n1CC(=O)Nc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1 Show InChI InChI=1S/C24H27N5O5S/c1-16-25-21-10-6-5-9-20(21)23(31)29(16)15-22(30)26-18-11-13-19(14-12-18)35(33,34)28-24(32)27-17-7-3-2-4-8-17/h5-6,9-14,17H,2-4,7-8,15H2,1H3,(H,26,30)(H2,27,28,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	464	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Chemistry Department, Faculty of Pharmacy (Boys), Al-Azhar University, Cairo 11884, Egypt. Curated by ChEMBL					Assay Description Displacement of fluormone-PPARgamma green from GST-tagged PPARgamma-LBD (unknown origin) by fluorescence polarization assay				Bioorg Med Chem 25: 4723-4744 (2017) Article DOI: 10.1016/j.bmc.2017.07.015 BindingDB Entry DOI: 10.7270/Q2DZ0BTW
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50211676 (CHEMBL3899514) Show SMILES Cc1nc2ccccc2n(CC(=O)Nc2ccc(cc2)S(=O)(=O)NC(=O)NC2CCCCC2)c1=O Show InChI InChI=1S/C24H27N5O5S/c1-16-23(31)29(21-10-6-5-9-20(21)25-16)15-22(30)26-18-11-13-19(14-12-18)35(33,34)28-24(32)27-17-7-3-2-4-8-17/h5-6,9-14,17H,2-4,7-8,15H2,1H3,(H,26,30)(H2,27,28,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	482	n/a	n/a	n/a	n/a	n/a	n/a
Al-Azhar University Curated by ChEMBL					Assay Description Displacement of fluormone-PPARgamma Green from recombinant human N-terminal GST-tagged PPARgamma-LBD by fluorescence polarization assay				Bioorg Med Chem 25: 1496-1513 (2017) Article DOI: 10.1016/j.bmc.2017.01.015 BindingDB Entry DOI: 10.7270/Q2H13463
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50211656 (CHEMBL3959627) Show SMILES CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)Cn2c3ccccc3nc(C)c2=O)cc1 Show InChI InChI=1S/C22H25N5O5S/c1-3-4-13-23-22(30)26-33(31,32)17-11-9-16(10-12-17)25-20(28)14-27-19-8-6-5-7-18(19)24-15(2)21(27)29/h5-12H,3-4,13-14H2,1-2H3,(H,25,28)(H2,23,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	491	n/a	n/a	n/a	n/a	n/a	n/a
Al-Azhar University Curated by ChEMBL					Assay Description Displacement of fluormone-PPARgamma Green from recombinant human N-terminal GST-tagged PPARgamma-LBD by fluorescence polarization assay				Bioorg Med Chem 25: 1496-1513 (2017) Article DOI: 10.1016/j.bmc.2017.01.015 BindingDB Entry DOI: 10.7270/Q2H13463
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50269551 (CHEMBL4088467) Show SMILES CCc1nc2ccccc2c(=O)n1CC(=O)Nc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1 Show InChI InChI=1S/C25H29N5O5S/c1-2-22-28-21-11-7-6-10-20(21)24(32)30(22)16-23(31)26-18-12-14-19(15-13-18)36(34,35)29-25(33)27-17-8-4-3-5-9-17/h6-7,10-15,17H,2-5,8-9,16H2,1H3,(H,26,31)(H2,27,29,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Chemistry Department, Faculty of Pharmacy (Boys), Al-Azhar University, Cairo 11884, Egypt. Curated by ChEMBL					Assay Description Displacement of fluormone-PPARgamma green from GST-tagged PPARgamma-LBD (unknown origin) by fluorescence polarization assay				Bioorg Med Chem 25: 4723-4744 (2017) Article DOI: 10.1016/j.bmc.2017.07.015 BindingDB Entry DOI: 10.7270/Q2DZ0BTW
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50468489 (CHEMBL1305588) Show SMILES C1CCC(CC1)Nc1nc2ccccc2n2cnnc12 Show InChI InChI=1S/C15H17N5/c1-2-6-11(7-3-1)17-14-15-19-16-10-20(15)13-9-5-4-8-12(13)18-14/h4-5,8-11H,1-3,6-7H2,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
Al-Azhar University Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2 using supercoiled pHOT1 DNA as substrate after 30 mins by agarose gel electrophoresis				Eur J Med Chem 155: 117-134 (2018) Article DOI: 10.1016/j.ejmech.2018.06.004 BindingDB Entry DOI: 10.7270/Q2TT4TN9
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50549119 (CHEMBL4763393) Show SMILES Cc1ccc(cc1)-n1c(SCC(=O)Nc2ccc(cc2)C(=O)Nc2ccc(Cl)cc2)nc2ccccc2c1=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	684	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human VEGFR2 incubated for 2.5 hrs by ELISA				Citation and Details Article DOI: 10.1016/j.bmc.2020.115872 BindingDB Entry DOI: 10.7270/Q2KH0RZQ
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50549115 (CHEMBL4784161) Show SMILES Cc1ccc(cc1)-n1c(SCC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2nc(C)cc(C)n2)nc2ccccc2c1=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	707	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human VEGFR2 incubated for 2.5 hrs by ELISA				Citation and Details Article DOI: 10.1016/j.bmc.2020.115872 BindingDB Entry DOI: 10.7270/Q2KH0RZQ
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50549116 (CHEMBL4781567) Show SMILES CC(=O)NS(=O)(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	721	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human VEGFR2 incubated for 2.5 hrs by ELISA				Citation and Details Article DOI: 10.1016/j.bmc.2020.115872 BindingDB Entry DOI: 10.7270/Q2KH0RZQ
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50468484 (CHEMBL4288104) Show SMILES COc1cccc(NC(=O)CSc2nnc3c4nncn4c4ccccc4n23)c1 Show InChI InChI=1S/C19H15N7O2S/c1-28-13-6-4-5-12(9-13)21-16(27)10-29-19-24-23-18-17-22-20-11-25(17)14-7-2-3-8-15(14)26(18)19/h2-9,11H,10H2,1H3,(H,21,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
Al-Azhar University Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2 using supercoiled pHOT1 DNA as substrate after 30 mins by agarose gel electrophoresis				Eur J Med Chem 155: 117-134 (2018) Article DOI: 10.1016/j.ejmech.2018.06.004 BindingDB Entry DOI: 10.7270/Q2TT4TN9
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM22984 ((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...) Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO |r| Show InChI InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
Al-Azhar University Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2 using supercoiled pHOT1 DNA as substrate after 30 mins by agarose gel electrophoresis				Eur J Med Chem 155: 117-134 (2018) Article DOI: 10.1016/j.ejmech.2018.06.004 BindingDB Entry DOI: 10.7270/Q2TT4TN9
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50468485 (CHEMBL4286850) Show SMILES Fc1ccc(NC(=O)CSc2nnc3c4nncn4c4ccccc4n23)cc1 Show InChI InChI=1S/C18H12FN7OS/c19-11-5-7-12(8-6-11)21-15(27)9-28-18-24-23-17-16-22-20-10-25(16)13-3-1-2-4-14(13)26(17)18/h1-8,10H,9H2,(H,21,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	940	n/a	n/a	n/a	n/a	n/a	n/a
Al-Azhar University Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2 using supercoiled pHOT1 DNA as substrate after 30 mins by agarose gel electrophoresis				Eur J Med Chem 155: 117-134 (2018) Article DOI: 10.1016/j.ejmech.2018.06.004 BindingDB Entry DOI: 10.7270/Q2TT4TN9
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50269550 (CHEMBL4089408) Show SMILES CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)Cn2c(C)nc3ccccc3c2=O)cc1 Show InChI InChI=1S/C22H25N5O5S/c1-3-4-13-23-22(30)26-33(31,32)17-11-9-16(10-12-17)25-20(28)14-27-15(2)24-19-8-6-5-7-18(19)21(27)29/h5-12H,3-4,13-14H2,1-2H3,(H,25,28)(H2,23,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Chemistry Department, Faculty of Pharmacy (Boys), Al-Azhar University, Cairo 11884, Egypt. Curated by ChEMBL					Assay Description Displacement of fluormone-PPARgamma green from GST-tagged PPARgamma-LBD (unknown origin) by fluorescence polarization assay				Bioorg Med Chem 25: 4723-4744 (2017) Article DOI: 10.1016/j.bmc.2017.07.015 BindingDB Entry DOI: 10.7270/Q2DZ0BTW
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50549122 (CHEMBL4794044) Show SMILES C\C(=N/NC(N)=S)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human VEGFR2 incubated for 2.5 hrs by ELISA				Citation and Details Article DOI: 10.1016/j.bmc.2020.115872 BindingDB Entry DOI: 10.7270/Q2KH0RZQ
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50549124 (CHEMBL4777885) Show SMILES C\C(=N/NC(=O)c1ccccc1O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human VEGFR2 incubated for 2.5 hrs by ELISA				Citation and Details Article DOI: 10.1016/j.bmc.2020.115872 BindingDB Entry DOI: 10.7270/Q2KH0RZQ
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50468490 (CHEMBL4291398) Show SMILES Sc1nnc2c3nncn3c3ccccc3n12 Show InChI InChI=1S/C10H6N6S/c17-10-14-13-9-8-12-11-5-15(8)6-3-1-2-4-7(6)16(9)10/h1-5H,(H,14,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Al-Azhar University Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2 using supercoiled pHOT1 DNA as substrate after 30 mins by agarose gel electrophoresis				Eur J Med Chem 155: 117-134 (2018) Article DOI: 10.1016/j.ejmech.2018.06.004 BindingDB Entry DOI: 10.7270/Q2TT4TN9
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50549117 (CHEMBL4749461) Show SMILES Cc1ccc(cc1)-n1c(SCC(=O)Nc2ccc(cc2)C(=O)NNC(=O)c2ccccc2O)nc2ccccc2c1=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human VEGFR2 incubated for 2.5 hrs by ELISA				Citation and Details Article DOI: 10.1016/j.bmc.2020.115872 BindingDB Entry DOI: 10.7270/Q2KH0RZQ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50211677 (CHEMBL3977442) Show SMILES O=C(NC1CCCCC1)NS(=O)(=O)c1ccc(NCC(=O)N2CC(=O)Nc3ccccc23)cc1 Show InChI InChI=1S/C23H27N5O5S/c29-21-15-28(20-9-5-4-8-19(20)26-21)22(30)14-24-16-10-12-18(13-11-16)34(32,33)27-23(31)25-17-6-2-1-3-7-17/h4-5,8-13,17,24H,1-3,6-7,14-15H2,(H,26,29)(H2,25,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
Al-Azhar University Curated by ChEMBL					Assay Description Displacement of fluormone-PPARgamma Green from recombinant human N-terminal GST-tagged PPARgamma-LBD by fluorescence polarization assay				Bioorg Med Chem 25: 1496-1513 (2017) Article DOI: 10.1016/j.bmc.2017.01.015 BindingDB Entry DOI: 10.7270/Q2H13463
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50211659 (CHEMBL3949291) Show SMILES O=C(CN1CC(=O)Nc2ccccc12)Nc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1 Show InChI InChI=1S/C23H27N5O5S/c29-21(14-28-15-22(30)26-19-8-4-5-9-20(19)28)24-17-10-12-18(13-11-17)34(32,33)27-23(31)25-16-6-2-1-3-7-16/h4-5,8-13,16H,1-3,6-7,14-15H2,(H,24,29)(H,26,30)(H2,25,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Al-Azhar University Curated by ChEMBL					Assay Description Displacement of fluormone-PPARgamma Green from recombinant human N-terminal GST-tagged PPARgamma-LBD by fluorescence polarization assay				Bioorg Med Chem 25: 1496-1513 (2017) Article DOI: 10.1016/j.bmc.2017.01.015 BindingDB Entry DOI: 10.7270/Q2H13463
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50468486 (CHEMBL4281274) Show SMILES O=C(NNc1nc2ccccc2n2cnnc12)Nc1ccccc1 Show InChI InChI=1S/C16H13N7O/c24-16(18-11-6-2-1-3-7-11)22-20-14-15-21-17-10-23(15)13-9-5-4-8-12(13)19-14/h1-10H,(H,19,20)(H2,18,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
Al-Azhar University Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2 using supercoiled pHOT1 DNA as substrate after 30 mins by agarose gel electrophoresis				Eur J Med Chem 155: 117-134 (2018) Article DOI: 10.1016/j.ejmech.2018.06.004 BindingDB Entry DOI: 10.7270/Q2TT4TN9
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50549118 (CHEMBL4753486) Show SMILES Cc1ccc(cc1)-n1c(SCC(=O)Nc2ccc(cc2)C(=O)NNc2ccccc2)nc2ccccc2c1=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human VEGFR2 incubated for 2.5 hrs by ELISA				Citation and Details Article DOI: 10.1016/j.bmc.2020.115872 BindingDB Entry DOI: 10.7270/Q2KH0RZQ
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50468482 (CHEMBL4291890) Show SMILES O=C(NNc1nc2ccccc2n2cnnc12)NC1CCCCC1 Show InChI InChI=1S/C16H19N7O/c24-16(18-11-6-2-1-3-7-11)22-20-14-15-21-17-10-23(15)13-9-5-4-8-12(13)19-14/h4-5,8-11H,1-3,6-7H2,(H,19,20)(H2,18,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
Al-Azhar University Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2 using supercoiled pHOT1 DNA as substrate after 30 mins by agarose gel electrophoresis				Eur J Med Chem 155: 117-134 (2018) Article DOI: 10.1016/j.ejmech.2018.06.004 BindingDB Entry DOI: 10.7270/Q2TT4TN9
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human VEGFR2 incubated for 2.5 hrs by ELISA				Citation and Details Article DOI: 10.1016/j.bmc.2020.115872 BindingDB Entry DOI: 10.7270/Q2KH0RZQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50211658 (CHEMBL3986626) Show SMILES CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)CN2CC(=O)Nc3ccccc23)cc1 Show InChI InChI=1S/C21H25N5O5S/c1-2-3-12-22-21(29)25-32(30,31)16-10-8-15(9-11-16)23-19(27)13-26-14-20(28)24-17-6-4-5-7-18(17)26/h4-11H,2-3,12-14H2,1H3,(H,23,27)(H,24,28)(H2,22,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
Al-Azhar University Curated by ChEMBL					Assay Description Displacement of fluormone-PPARgamma Green from recombinant human N-terminal GST-tagged PPARgamma-LBD by fluorescence polarization assay				Bioorg Med Chem 25: 1496-1513 (2017) Article DOI: 10.1016/j.bmc.2017.01.015 BindingDB Entry DOI: 10.7270/Q2H13463
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50211657 (CHEMBL3941555) Show SMILES CCCCNC(=O)NS(=O)(=O)c1ccc(NCC(=O)N2CC(=O)Nc3ccccc23)cc1 Show InChI InChI=1S/C21H25N5O5S/c1-2-3-12-22-21(29)25-32(30,31)16-10-8-15(9-11-16)23-13-20(28)26-14-19(27)24-17-6-4-5-7-18(17)26/h4-11,23H,2-3,12-14H2,1H3,(H,24,27)(H2,22,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
Al-Azhar University Curated by ChEMBL					Assay Description Displacement of fluormone-PPARgamma Green from recombinant human N-terminal GST-tagged PPARgamma-LBD by fluorescence polarization assay				Bioorg Med Chem 25: 1496-1513 (2017) Article DOI: 10.1016/j.bmc.2017.01.015 BindingDB Entry DOI: 10.7270/Q2H13463
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50549120 (CHEMBL4760160) Show SMILES Cc1ccc(cc1)-n1c(SCC(=O)Nc2ccc(cc2)C(=O)Nc2ccccc2)nc2ccccc2c1=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human VEGFR2 incubated for 2.5 hrs by ELISA				Citation and Details Article DOI: 10.1016/j.bmc.2020.115872 BindingDB Entry DOI: 10.7270/Q2KH0RZQ
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50549121 (CHEMBL4749856) Show SMILES Cc1ccc(cc1)-n1c(SCC(=O)Nc2ccc(cc2)C(=O)NCc2ccccc2)nc2ccccc2c1=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human VEGFR2 incubated for 2.5 hrs by ELISA				Citation and Details Article DOI: 10.1016/j.bmc.2020.115872 BindingDB Entry DOI: 10.7270/Q2KH0RZQ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50269512 (CHEMBL491147) Show SMILES CC1CCC(CC1)NC(=O)NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(Br)cc2)cc1 |(5.02,-22.18,;3.69,-21.41,;2.35,-22.18,;1.02,-21.41,;1.02,-19.87,;2.35,-19.1,;3.69,-19.87,;-.31,-19.1,;-.31,-17.56,;1.02,-16.79,;-1.65,-16.79,;-1.65,-15.25,;-.11,-15.25,;-3.19,-15.25,;-1.65,-13.71,;-.31,-12.94,;-.31,-11.4,;-1.65,-10.63,;-1.65,-9.09,;-.31,-8.32,;-.31,-6.78,;1.02,-6.01,;1.79,-7.35,;.25,-4.68,;2.35,-5.24,;2.35,-3.7,;3.69,-2.93,;5.02,-3.7,;6.35,-2.93,;5.02,-5.24,;3.69,-6.01,;-2.98,-11.4,;-2.98,-12.94,)| Show InChI InChI=1S/C22H28BrN3O5S2/c1-16-2-8-19(9-3-16)25-22(27)26-33(30,31)21-10-4-17(5-11-21)14-15-24-32(28,29)20-12-6-18(23)7-13-20/h4-7,10-13,16,19,24H,2-3,8-9,14-15H2,1H3,(H2,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Chemistry Department, Faculty of Pharmacy (Boys), Al-Azhar University, Cairo 11884, Egypt. Curated by ChEMBL					Assay Description Displacement of fluormone-PPARgamma green from GST-tagged PPARgamma-LBD (unknown origin) by fluorescence polarization assay				Bioorg Med Chem 25: 4723-4744 (2017) Article DOI: 10.1016/j.bmc.2017.07.015 BindingDB Entry DOI: 10.7270/Q2DZ0BTW
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50549125 (CHEMBL4755652) Show SMILES CC(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human VEGFR2 incubated for 2.5 hrs by ELISA				Citation and Details Article DOI: 10.1016/j.bmc.2020.115872 BindingDB Entry DOI: 10.7270/Q2KH0RZQ
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50468480 (CHEMBL4282332) Show SMILES Clc1ccccc1\C=N\Nc1nc2ccccc2n2cnnc12 Show InChI InChI=1S/C16H11ClN6/c17-12-6-2-1-5-11(12)9-18-21-15-16-22-19-10-23(16)14-8-4-3-7-13(14)20-15/h1-10H,(H,20,21)/b18-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
Al-Azhar University Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2 using supercoiled pHOT1 DNA as substrate after 30 mins by agarose gel electrophoresis				Eur J Med Chem 155: 117-134 (2018) Article DOI: 10.1016/j.ejmech.2018.06.004 BindingDB Entry DOI: 10.7270/Q2TT4TN9
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50468479 (CHEMBL4280810) Show SMILES CCCCNc1nc2ccccc2n2cnnc12 Show InChI InChI=1S/C13H15N5/c1-2-3-8-14-12-13-17-15-9-18(13)11-7-5-4-6-10(11)16-12/h4-7,9H,2-3,8H2,1H3,(H,14,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
Al-Azhar University Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2 using supercoiled pHOT1 DNA as substrate after 30 mins by agarose gel electrophoresis				Eur J Med Chem 155: 117-134 (2018) Article DOI: 10.1016/j.ejmech.2018.06.004 BindingDB Entry DOI: 10.7270/Q2TT4TN9
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50015825 (CHEMBL73133 | Methyl-[1,2,4]triazolo[4,3-a]quinoxa...) Show SMILES CNc1nc2ccccc2n2cnnc12 Show InChI InChI=1S/C10H9N5/c1-11-9-10-14-12-6-15(10)8-5-3-2-4-7(8)13-9/h2-6H,1H3,(H,11,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Al-Azhar University Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2 using supercoiled pHOT1 DNA as substrate after 30 mins by agarose gel electrophoresis				Eur J Med Chem 155: 117-134 (2018) Article DOI: 10.1016/j.ejmech.2018.06.004 BindingDB Entry DOI: 10.7270/Q2TT4TN9
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50468483 (CHEMBL4288069) Show SMILES CCOC(=O)CSc1nnc2c3nncn3c3ccccc3n12 Show InChI InChI=1S/C14H12N6O2S/c1-2-22-11(21)7-23-14-18-17-13-12-16-15-8-19(12)9-5-3-4-6-10(9)20(13)14/h3-6,8H,2,7H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Al-Azhar University Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2 using supercoiled pHOT1 DNA as substrate after 30 mins by agarose gel electrophoresis				Eur J Med Chem 155: 117-134 (2018) Article DOI: 10.1016/j.ejmech.2018.06.004 BindingDB Entry DOI: 10.7270/Q2TT4TN9
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50269524 (CHEMBL491501) Show SMILES Brc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1 Show InChI InChI=1S/C21H26BrN3O5S2/c22-17-8-12-19(13-9-17)31(27,28)23-15-14-16-6-10-20(11-7-16)32(29,30)25-21(26)24-18-4-2-1-3-5-18/h6-13,18,23H,1-5,14-15H2,(H2,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Chemistry Department, Faculty of Pharmacy (Boys), Al-Azhar University, Cairo 11884, Egypt. Curated by ChEMBL					Assay Description Displacement of fluormone-PPARgamma green from GST-tagged PPARgamma-LBD (unknown origin) by fluorescence polarization assay				Bioorg Med Chem 25: 4723-4744 (2017) Article DOI: 10.1016/j.bmc.2017.07.015 BindingDB Entry DOI: 10.7270/Q2DZ0BTW
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50269514 (CHEMBL491924) Show SMILES CC1CCC(CC1)NC(=O)NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(NC(C)=O)c(C)c2)cc1 |(4.41,-17.91,;3.08,-17.14,;3.08,-15.6,;1.75,-14.83,;.41,-15.6,;.41,-17.14,;1.75,-17.91,;-.92,-14.83,;-.92,-13.29,;.41,-12.52,;-2.26,-12.52,;-2.26,-10.98,;-.72,-10.98,;-3.8,-10.98,;-2.26,-9.44,;-.92,-8.67,;-.92,-7.13,;-2.26,-6.36,;-2.26,-4.82,;-.92,-4.05,;-.92,-2.51,;.41,-1.74,;1.18,-3.07,;-.36,-.4,;1.75,-.97,;1.75,.57,;3.08,1.34,;4.41,.57,;5.75,1.34,;7.08,.57,;8.41,1.34,;7.08,-.97,;4.41,-.97,;5.75,-1.74,;3.08,-1.74,;-3.59,-7.13,;-3.59,-8.67,)| Show InChI InChI=1S/C25H34N4O6S2/c1-17-4-8-21(9-5-17)28-25(31)29-37(34,35)22-10-6-20(7-11-22)14-15-26-36(32,33)23-12-13-24(18(2)16-23)27-19(3)30/h6-7,10-13,16-17,21,26H,4-5,8-9,14-15H2,1-3H3,(H,27,30)(H2,28,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Chemistry Department, Faculty of Pharmacy (Boys), Al-Azhar University, Cairo 11884, Egypt. Curated by ChEMBL					Assay Description Displacement of fluormone-PPARgamma green from GST-tagged PPARgamma-LBD (unknown origin) by fluorescence polarization assay				Bioorg Med Chem 25: 4723-4744 (2017) Article DOI: 10.1016/j.bmc.2017.07.015 BindingDB Entry DOI: 10.7270/Q2DZ0BTW
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50468488 (CHEMBL4290204) Show SMILES Clc1cccc(Cl)c1\C=N\Nc1nc2ccccc2n2cnnc12 Show InChI InChI=1S/C16H10Cl2N6/c17-11-4-3-5-12(18)10(11)8-19-22-15-16-23-20-9-24(16)14-7-2-1-6-13(14)21-15/h1-9H,(H,21,22)/b19-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
Al-Azhar University Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2 using supercoiled pHOT1 DNA as substrate after 30 mins by agarose gel electrophoresis				Eur J Med Chem 155: 117-134 (2018) Article DOI: 10.1016/j.ejmech.2018.06.004 BindingDB Entry DOI: 10.7270/Q2TT4TN9
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50468481 (CHEMBL4276735) Show SMILES S=C(NNc1nc2ccccc2n2cnnc12)Nc1ccccc1 Show InChI InChI=1S/C16H13N7S/c24-16(18-11-6-2-1-3-7-11)22-20-14-15-21-17-10-23(15)13-9-5-4-8-12(13)19-14/h1-10H,(H,19,20)(H2,18,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Al-Azhar University Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2 using supercoiled pHOT1 DNA as substrate after 30 mins by agarose gel electrophoresis				Eur J Med Chem 155: 117-134 (2018) Article DOI: 10.1016/j.ejmech.2018.06.004 BindingDB Entry DOI: 10.7270/Q2TT4TN9
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50269523 (CHEMBL491500) Show SMILES Clc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1 Show InChI InChI=1S/C21H26ClN3O5S2/c22-17-8-12-19(13-9-17)31(27,28)23-15-14-16-6-10-20(11-7-16)32(29,30)25-21(26)24-18-4-2-1-3-5-18/h6-13,18,23H,1-5,14-15H2,(H2,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Chemistry Department, Faculty of Pharmacy (Boys), Al-Azhar University, Cairo 11884, Egypt. Curated by ChEMBL					Assay Description Displacement of fluormone-PPARgamma green from GST-tagged PPARgamma-LBD (unknown origin) by fluorescence polarization assay				Bioorg Med Chem 25: 4723-4744 (2017) Article DOI: 10.1016/j.bmc.2017.07.015 BindingDB Entry DOI: 10.7270/Q2DZ0BTW
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50269522 (CHEMBL491324) Show SMILES CC1CCC(CC1)NC(=O)NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccccc2)cc1 |(4.45,-33.33,;3.11,-32.56,;1.78,-33.33,;.45,-32.56,;.45,-31.02,;1.78,-30.25,;3.11,-31.02,;-.89,-30.25,;-.89,-28.71,;.45,-27.94,;-2.22,-27.94,;-2.22,-26.4,;-3.76,-26.4,;-.68,-26.4,;-2.22,-24.86,;-.89,-24.09,;-.89,-22.55,;-2.22,-21.78,;-2.22,-20.24,;-.89,-19.47,;-.89,-17.93,;.45,-17.16,;-.32,-15.83,;1.22,-18.49,;1.78,-16.39,;1.78,-14.85,;3.11,-14.08,;4.45,-14.85,;4.45,-16.39,;3.11,-17.16,;-3.55,-22.55,;-3.55,-24.09,)| Show InChI InChI=1S/C22H29N3O5S2/c1-17-7-11-19(12-8-17)24-22(26)25-32(29,30)21-13-9-18(10-14-21)15-16-23-31(27,28)20-5-3-2-4-6-20/h2-6,9-10,13-14,17,19,23H,7-8,11-12,15-16H2,1H3,(H2,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Chemistry Department, Faculty of Pharmacy (Boys), Al-Azhar University, Cairo 11884, Egypt. Curated by ChEMBL					Assay Description Displacement of fluormone-PPARgamma green from GST-tagged PPARgamma-LBD (unknown origin) by fluorescence polarization assay				Bioorg Med Chem 25: 4723-4744 (2017) Article DOI: 10.1016/j.bmc.2017.07.015 BindingDB Entry DOI: 10.7270/Q2DZ0BTW
					More data for this Ligand-Target Pair

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