Compile Data Set for Download or QSAR

Found 173 hits with Last Name = 'ban' and Initial = 'hs'   

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
Malate dehydrogenase, cytoplasmic (Homo sapiens (Human))	BDBM50250242 (CHEMBL4068781) Show SMILES COC(=O)c1cccc(NC(=O)CCOc2ccc(cc2)C(C)(C)CC(C)(C)C)c1 Show InChI InChI=1S/C25H33NO4/c1-24(2,3)17-25(4,5)19-10-12-21(13-11-19)30-15-14-22(27)26-20-9-7-8-18(16-20)23(28)29-6/h7-13,16H,14-15,17H2,1-6H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy, Dongguk University , Goyang 10326, Korea. Curated by ChEMBL					Assay Description Inhibition of human MDH1 expressed in Escherichia coli after 30 mins by oxaloacetate-dependent NADH oxidation assay				J Med Chem 60: 8631-8646 (2017) Article DOI: 10.1021/acs.jmedchem.7b01231 BindingDB Entry DOI: 10.7270/Q2QZ2DCF
					More data for this Ligand-Target Pair
Malate dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM50250242 (CHEMBL4068781) Show SMILES COC(=O)c1cccc(NC(=O)CCOc2ccc(cc2)C(C)(C)CC(C)(C)C)c1 Show InChI InChI=1S/C25H33NO4/c1-24(2,3)17-25(4,5)19-10-12-21(13-11-19)30-15-14-22(27)26-20-9-7-8-18(16-20)23(28)29-6/h7-13,16H,14-15,17H2,1-6H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy, Dongguk University , Goyang 10326, Korea. Curated by ChEMBL					Assay Description Competitive inhibition of human MDH2 using oxaloacetic acid as substrate in presence of NADH after 30 mins by double reciprocal plot analysis				J Med Chem 60: 8631-8646 (2017) Article DOI: 10.1021/acs.jmedchem.7b01231 BindingDB Entry DOI: 10.7270/Q2QZ2DCF
					More data for this Ligand-Target Pair
Malate dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM50400094 (CHEMBL427092) Show SMILES COC(=O)c1ccc(O)c(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1 |TLB:18:21:24.23.28:26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21| Show InChI InChI=1S/C26H29NO5/c1-31-25(30)19-2-7-23(28)22(11-19)27-24(29)15-32-21-5-3-20(4-6-21)26-12-16-8-17(13-26)10-18(9-16)14-26/h2-7,11,16-18,28H,8-10,12-15H2,1H3,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dongguk University-Seoul Curated by ChEMBL					Assay Description Competitive inhibition of MDH2 (unknown origin) using varying NADH level by oxaloacetate-dependent NADH oxidation based Lineweaver-Burk plot				J Med Chem 57: 9522-38 (2014) Article DOI: 10.1021/jm501241g BindingDB Entry DOI: 10.7270/Q2N87CCD
					More data for this Ligand-Target Pair
Malate dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM50031520 (CHEMBL3359147) Show SMILES Oc1ccc(cc1NC(=O)COc1ccc(cc1C1(N=N1)C(F)(F)F)C12CC3CC(CC(C3)C1)C2)C(=O)OCC#C |c:21,TLB:15:25:28.27.32:30,THB:26:27:30:34.25.33,26:25:28.27.32:30,33:25:28:32.31.30,33:31:28:34.26.25,15:25:28:32.31.30| Show InChI InChI=1S/C30H28F3N3O5/c1-2-7-40-27(39)20-3-5-24(37)23(11-20)34-26(38)16-41-25-6-4-21(12-22(25)29(35-36-29)30(31,32)33)28-13-17-8-18(14-28)10-19(9-17)15-28/h1,3-6,11-12,17-19,37H,7-10,13-16H2,(H,34,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dongguk University-Seoul Curated by ChEMBL					Assay Description Competitive inhibition of MDH2 (unknown origin) using varying NADH level by oxaloacetate-dependent NADH oxidation based Lineweaver-Burk plot				J Med Chem 57: 9522-38 (2014) Article DOI: 10.1021/jm501241g BindingDB Entry DOI: 10.7270/Q2N87CCD
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50308828 (4-(3'-Chloro-4'-fluoroanilino)-7-methoxy-6-(pent-4...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCC#C Show InChI InChI=1S/C20H17ClFN3O2/c1-3-4-5-8-27-19-10-14-17(11-18(19)26-2)23-12-24-20(14)25-13-6-7-16(22)15(21)9-13/h1,6-7,9-12H,4-5,8H2,2H3,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.53	n/a	n/a	n/a	n/a	n/a	n/a
Gakushuin University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR by ELISA				Bioorg Med Chem 18: 870-9 (2010) Article DOI: 10.1016/j.bmc.2009.11.035 BindingDB Entry DOI: 10.7270/Q2DF6R97
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM31826 (4-aminoquinazoline, 2a | BMC163482 Compound 3 | CH...) Show SMILES CCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C17H15BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h3-10H,2H2,1H3,(H,21,23)(H,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.62	n/a	n/a	n/a	n/a	n/a	n/a
Gakushuin University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR by ELISA				Bioorg Med Chem 18: 870-9 (2010) Article DOI: 10.1016/j.bmc.2009.11.035 BindingDB Entry DOI: 10.7270/Q2DF6R97
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50308827 (4-(3'-Chloro-4'-fluorophenylamino)-6-(hexa-4,5-die...) Show SMILES Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCC=C=C Show InChI InChI=1S/C20H17ClFN3O2/c1-2-3-4-5-8-27-19-10-14-17(11-18(19)26)23-12-24-20(14)25-13-6-7-16(22)15(21)9-13/h3,6-7,9-12,26H,1,4-5,8H2,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16	n/a	n/a	n/a	n/a	n/a	n/a
Gakushuin University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR by ELISA				Bioorg Med Chem 18: 870-9 (2010) Article DOI: 10.1016/j.bmc.2009.11.035 BindingDB Entry DOI: 10.7270/Q2DF6R97
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50308823 (4-(3-Chloro-4-fluorophenylamino)-6-(octa-6,7-dieny...) Show SMILES Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCCC=C=C Show InChI InChI=1S/C22H21ClFN3O2/c1-2-3-4-5-6-7-10-29-21-12-16-19(13-20(21)28)25-14-26-22(16)27-15-8-9-18(24)17(23)11-15/h3,8-9,11-14,28H,1,4-7,10H2,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.45	n/a	n/a	n/a	n/a	n/a	n/a
Gakushuin University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR by ELISA				Bioorg Med Chem 18: 870-9 (2010) Article DOI: 10.1016/j.bmc.2009.11.035 BindingDB Entry DOI: 10.7270/Q2DF6R97
					More data for this Ligand-Target Pair
Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50426548 (CHEMBL2323956) Show SMILES C1c2ccccc2-c2n[nH]c(Nc3ccc4OCCOc4c3)c12 Show InChI InChI=1S/C18H15N3O2/c1-2-4-13-11(3-1)9-14-17(13)20-21-18(14)19-12-5-6-15-16(10-12)23-8-7-22-15/h1-6,10H,7-9H2,(H2,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Gakushuin University Curated by ChEMBL					Assay Description Inhibition of hypoxia-induced HIF1alpha transcriptional activity in human HeLa cells expressing HRE-Luc after 12 hrs by luciferase reporter gene assa...				ACS Med Chem Lett 4: 297-301 (2013) Article DOI: 10.1021/ml3004632 BindingDB Entry DOI: 10.7270/Q2R212P9
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50308832 (4-(3'-Chloro-4'-fluoroanilino)-6-(prop-2-ynyloxy)-...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC#C Show InChI InChI=1S/C18H13ClFN3O2/c1-3-6-25-17-8-12-15(9-16(17)24-2)21-10-22-18(12)23-11-4-5-14(20)13(19)7-11/h1,4-5,7-10H,6H2,2H3,(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14.8	n/a	n/a	n/a	n/a	n/a	n/a
Gakushuin University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR by ELISA				Bioorg Med Chem 18: 870-9 (2010) Article DOI: 10.1016/j.bmc.2009.11.035 BindingDB Entry DOI: 10.7270/Q2DF6R97
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50308833 (6-(Buta-2,3-dienyloxy)-4-(3'-chlorophenylamino)-7-...) Show SMILES Oc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCC=C=C Show InChI InChI=1S/C18H14ClN3O2/c1-2-3-7-24-17-9-14-15(10-16(17)23)20-11-21-18(14)22-13-6-4-5-12(19)8-13/h3-6,8-11,23H,1,7H2,(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16.9	n/a	n/a	n/a	n/a	n/a	n/a
Gakushuin University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR by ELISA				Bioorg Med Chem 18: 870-9 (2010) Article DOI: 10.1016/j.bmc.2009.11.035 BindingDB Entry DOI: 10.7270/Q2DF6R97
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50308830 (4-(3'-Chloroanilino)-7-methoxy-6-(pent-4-ynyloxy)q...) Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCCCC#C Show InChI InChI=1S/C20H18ClN3O2/c1-3-4-5-9-26-19-11-16-17(12-18(19)25-2)22-13-23-20(16)24-15-8-6-7-14(21)10-15/h1,6-8,10-13H,4-5,9H2,2H3,(H,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17.7	n/a	n/a	n/a	n/a	n/a	n/a
Gakushuin University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR by ELISA				Bioorg Med Chem 18: 870-9 (2010) Article DOI: 10.1016/j.bmc.2009.11.035 BindingDB Entry DOI: 10.7270/Q2DF6R97
					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	20.3	n/a	n/a	n/a	n/a	n/a	n/a
Gakushuin University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR by ELISA				Bioorg Med Chem 18: 870-9 (2010) Article DOI: 10.1016/j.bmc.2009.11.035 BindingDB Entry DOI: 10.7270/Q2DF6R97
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5447 (CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Gakushuin University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR by ELISA				Bioorg Med Chem 18: 870-9 (2010) Article DOI: 10.1016/j.bmc.2009.11.035 BindingDB Entry DOI: 10.7270/Q2DF6R97
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50308831 (6-(Buta-2,3-dienyloxy)-4-(3'-chloro-4'-fluoroanili...) Show SMILES Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC=C=C Show InChI InChI=1S/C18H13ClFN3O2/c1-2-3-6-25-17-8-12-15(9-16(17)24)21-10-22-18(12)23-11-4-5-14(20)13(19)7-11/h3-5,7-10,24H,1,6H2,(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23.8	n/a	n/a	n/a	n/a	n/a	n/a
Gakushuin University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR by ELISA				Bioorg Med Chem 18: 870-9 (2010) Article DOI: 10.1016/j.bmc.2009.11.035 BindingDB Entry DOI: 10.7270/Q2DF6R97
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50308834 (4-(3'-Chloroanilino)-7-methoxy-6-(prop-2-ynyloxy)q...) Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCC#C Show InChI InChI=1S/C18H14ClN3O2/c1-3-7-24-17-9-14-15(10-16(17)23-2)20-11-21-18(14)22-13-6-4-5-12(19)8-13/h1,4-6,8-11H,7H2,2H3,(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25.9	n/a	n/a	n/a	n/a	n/a	n/a
Gakushuin University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR by ELISA				Bioorg Med Chem 18: 870-9 (2010) Article DOI: 10.1016/j.bmc.2009.11.035 BindingDB Entry DOI: 10.7270/Q2DF6R97
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50308829 (4-(3'-Chlorophenylamino)-6-(hexa-4,5-dienyloxy)-7-...) Show SMILES Oc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCCCC=C=C Show InChI InChI=1S/C20H18ClN3O2/c1-2-3-4-5-9-26-19-11-16-17(12-18(19)25)22-13-23-20(16)24-15-8-6-7-14(21)10-15/h3,6-8,10-13,25H,1,4-5,9H2,(H,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28.5	n/a	n/a	n/a	n/a	n/a	n/a
Gakushuin University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR by ELISA				Bioorg Med Chem 18: 870-9 (2010) Article DOI: 10.1016/j.bmc.2009.11.035 BindingDB Entry DOI: 10.7270/Q2DF6R97
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM9503 (2-[(pyridin-4-ylmethyl)amino]-N-[3-(trifluoromethy...) Show SMILES FC(F)(F)c1cccc(NC(=O)c2ccccc2NCc2ccncc2)c1 Show InChI InChI=1S/C20H16F3N3O/c21-20(22,23)15-4-3-5-16(12-15)26-19(27)17-6-1-2-7-18(17)25-13-14-8-10-24-11-9-14/h1-12,25H,13H2,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Gakushuin University Curated by ChEMBL					Assay Description Inhibition of recombinant KDR at 1 uM by ELISA				Bioorg Med Chem Lett 16: 5127-31 (2006) Article DOI: 10.1016/j.bmcl.2006.07.075 BindingDB Entry DOI: 10.7270/Q2DJ5F8Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50308821 (4-(3'-Chloro-4'-fluorophenylamino)-6-(hex-5-enylox...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCC=C Show InChI InChI=1S/C21H21ClFN3O2/c1-3-4-5-6-9-28-20-11-15-18(12-19(20)27-2)24-13-25-21(15)26-14-7-8-17(23)16(22)10-14/h3,7-8,10-13H,1,4-6,9H2,2H3,(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32.6	n/a	n/a	n/a	n/a	n/a	n/a
Gakushuin University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR by ELISA				Bioorg Med Chem 18: 870-9 (2010) Article DOI: 10.1016/j.bmc.2009.11.035 BindingDB Entry DOI: 10.7270/Q2DF6R97
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50308824 (4-(3'-Chloro-4'-fluoroanilino)-6-(hept-6-ynyloxy)-...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCCC#C Show InChI InChI=1S/C22H21ClFN3O2/c1-3-4-5-6-7-10-29-21-12-16-19(13-20(21)28-2)25-14-26-22(16)27-15-8-9-18(24)17(23)11-15/h1,8-9,11-14H,4-7,10H2,2H3,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32.7	n/a	n/a	n/a	n/a	n/a	n/a
Gakushuin University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR by ELISA				Bioorg Med Chem 18: 870-9 (2010) Article DOI: 10.1016/j.bmc.2009.11.035 BindingDB Entry DOI: 10.7270/Q2DF6R97
					More data for this Ligand-Target Pair
Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50426547 (CHEMBL2323957) Show SMILES COc1cccc-2c1Cc1c(Nc3ccc4OCCOc4c3)[nH]nc-21 Show InChI InChI=1S/C19H17N3O3/c1-23-15-4-2-3-12-13(15)10-14-18(12)21-22-19(14)20-11-5-6-16-17(9-11)25-8-7-24-16/h2-6,9H,7-8,10H2,1H3,(H2,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Gakushuin University Curated by ChEMBL					Assay Description Inhibition of hypoxia-induced HIF1alpha transcriptional activity in human HeLa cells expressing HRE-Luc after 12 hrs by luciferase reporter gene assa...				ACS Med Chem Lett 4: 297-301 (2013) Article DOI: 10.1021/ml3004632 BindingDB Entry DOI: 10.7270/Q2R212P9
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM9503 (2-[(pyridin-4-ylmethyl)amino]-N-[3-(trifluoromethy...) Show SMILES FC(F)(F)c1cccc(NC(=O)c2ccccc2NCc2ccncc2)c1 Show InChI InChI=1S/C20H16F3N3O/c21-20(22,23)15-4-3-5-16(12-15)26-19(27)17-6-1-2-7-18(17)25-13-14-8-10-24-11-9-14/h1-12,25H,13H2,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Gakushuin University Curated by ChEMBL					Assay Description Inhibition of KDR				Bioorg Med Chem Lett 18: 285-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.084 BindingDB Entry DOI: 10.7270/Q2KH0N2T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50308825 (4-(3'-chloro-4'-fluorophenylamino)-6-(hepta-5,6-di...) Show SMILES Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCC=C=C Show InChI InChI=1S/C21H19ClFN3O2/c1-2-3-4-5-6-9-28-20-11-15-18(12-19(20)27)24-13-25-21(15)26-14-7-8-17(23)16(22)10-14/h3,7-8,10-13,27H,1,4-6,9H2,(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65.5	n/a	n/a	n/a	n/a	n/a	n/a
Gakushuin University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR by ELISA				Bioorg Med Chem 18: 870-9 (2010) Article DOI: 10.1016/j.bmc.2009.11.035 BindingDB Entry DOI: 10.7270/Q2DF6R97
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50308826 (4-(3'-Chloro-4'-fluoroanilino)-6-(hex-5-ynyloxy)-7...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCC#C Show InChI InChI=1S/C21H19ClFN3O2/c1-3-4-5-6-9-28-20-11-15-18(12-19(20)27-2)24-13-25-21(15)26-14-7-8-17(23)16(22)10-14/h1,7-8,10-13H,4-6,9H2,2H3,(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	87.1	n/a	n/a	n/a	n/a	n/a	n/a
Gakushuin University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR by ELISA				Bioorg Med Chem 18: 870-9 (2010) Article DOI: 10.1016/j.bmc.2009.11.035 BindingDB Entry DOI: 10.7270/Q2DF6R97
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50308820 (4-(3-Chloro-4-fluorophenylamino)-6-hexyloxy-7-meth...) Show SMILES CCCCCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC Show InChI InChI=1S/C21H23ClFN3O2/c1-3-4-5-6-9-28-20-11-15-18(12-19(20)27-2)24-13-25-21(15)26-14-7-8-17(23)16(22)10-14/h7-8,10-13H,3-6,9H2,1-2H3,(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	106	n/a	n/a	n/a	n/a	n/a	n/a
Gakushuin University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR by ELISA				Bioorg Med Chem 18: 870-9 (2010) Article DOI: 10.1016/j.bmc.2009.11.035 BindingDB Entry DOI: 10.7270/Q2DF6R97
					More data for this Ligand-Target Pair
Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50226373 (1-(4-Amino-phenyl)-3-(3-benzo[1,3]dioxol-5-yl-4-ox...) Show SMILES Nc1ccc(NC(=O)Nc2cccc3-c4[nH]nc(c4C(=O)c23)-c2ccc3OCOc3c2)cc1 Show InChI InChI=1S/C24H17N5O4/c25-13-5-7-14(8-6-13)26-24(31)27-16-3-1-2-15-19(16)23(30)20-21(28-29-22(15)20)12-4-9-17-18(10-12)33-11-32-17/h1-10H,11,25H2,(H,28,29)(H2,26,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	214	n/a	n/a	n/a	n/a	n/a	n/a
Gakushuin University Curated by ChEMBL					Assay Description Inhibition of hypoxia-induced HIF1alpha transcriptional activity in human HeLa cells expressing HRE-Luc after 12 hrs by luciferase reporter gene assa...				ACS Med Chem Lett 4: 297-301 (2013) Article DOI: 10.1021/ml3004632 BindingDB Entry DOI: 10.7270/Q2R212P9
					More data for this Ligand-Target Pair
Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50426549 (CHEMBL2323955) Show SMILES C1Oc2ccc(Nc3[nH]nc-4c3Cc3ccccc-43)cc2O1 Show InChI InChI=1S/C17H13N3O2/c1-2-4-12-10(3-1)7-13-16(12)19-20-17(13)18-11-5-6-14-15(8-11)22-9-21-14/h1-6,8H,7,9H2,(H2,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Gakushuin University Curated by ChEMBL					Assay Description Inhibition of hypoxia-induced HIF1alpha transcriptional activity in human HeLa cells expressing HRE-Luc after 12 hrs by luciferase reporter gene assa...				ACS Med Chem Lett 4: 297-301 (2013) Article DOI: 10.1021/ml3004632 BindingDB Entry DOI: 10.7270/Q2R212P9
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50226373 (1-(4-Amino-phenyl)-3-(3-benzo[1,3]dioxol-5-yl-4-ox...) Show SMILES Nc1ccc(NC(=O)Nc2cccc3-c4[nH]nc(c4C(=O)c23)-c2ccc3OCOc3c2)cc1 Show InChI InChI=1S/C24H17N5O4/c25-13-5-7-14(8-6-13)26-24(31)27-16-3-1-2-15-19(16)23(30)20-21(28-29-22(15)20)12-4-9-17-18(10-12)33-11-32-17/h1-10H,11,25H2,(H,28,29)(H2,26,27,31)	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	380	n/a	n/a	n/a	n/a	n/a	n/a
Gakushuin University Curated by ChEMBL					Assay Description Inhibition of KDR				Bioorg Med Chem Lett 18: 285-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.084 BindingDB Entry DOI: 10.7270/Q2KH0N2T
					More data for this Ligand-Target Pair
Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50253289 (CHEMBL4090212) Show SMILES CO\N=C(\C(=O)OC)c1ccccc1COc1cccc(OCc2ccc(Cl)cc2)c1 Show InChI InChI=1S/C24H22ClNO5/c1-28-24(27)23(26-29-2)22-9-4-3-6-18(22)16-31-21-8-5-7-20(14-21)30-15-17-10-12-19(25)13-11-17/h3-14H,15-16H2,1-2H3/b26-23+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
School of Chemistry and Biochemistry, Yeungnam University, 280 Daehak-Ro, Gyeongsan-si, Gyeongbuk 38541, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of hypoxia-induced HIF1alpha (unknown origin) transcriptional activity expressed in human HCT116 cells by HRE luciferase reporter gene ass...				Bioorg Med Chem Lett 27: 3026-3029 (2017) Article DOI: 10.1016/j.bmcl.2017.05.024 BindingDB Entry DOI: 10.7270/Q2V69N15
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50226374 (1-(4-Amino-phenyl)-3-[3-(4-hydroxy-phenyl)-4-oxo-2...) Show SMILES Nc1ccc(NC(=O)Nc2cccc3-c4[nH]nc(c4C(=O)c23)-c2ccc(O)cc2)cc1 Show InChI InChI=1S/C23H17N5O3/c24-13-6-8-14(9-7-13)25-23(31)26-17-3-1-2-16-18(17)22(30)19-20(27-28-21(16)19)12-4-10-15(29)11-5-12/h1-11,29H,24H2,(H,27,28)(H2,25,26,31)	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	650	n/a	n/a	n/a	n/a	n/a	n/a
Gakushuin University Curated by ChEMBL					Assay Description Inhibition of KDR				Bioorg Med Chem Lett 18: 285-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.084 BindingDB Entry DOI: 10.7270/Q2KH0N2T
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50226372 (1-(3-Benzo[1,3]dioxol-5-yl-4-oxo-2,4-dihydro-inden...) Show SMILES Oc1ccc(NC(=O)Nc2cccc3-c4[nH]nc(c4C(=O)c23)-c2ccc3OCOc3c2)cc1 Show InChI InChI=1S/C24H16N4O5/c29-14-7-5-13(6-8-14)25-24(31)26-16-3-1-2-15-19(16)23(30)20-21(27-28-22(15)20)12-4-9-17-18(10-12)33-11-32-17/h1-10,29H,11H2,(H,27,28)(H2,25,26,31)	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	700	n/a	n/a	n/a	n/a	n/a	n/a
Gakushuin University Curated by ChEMBL					Assay Description Inhibition of KDR				Bioorg Med Chem Lett 18: 285-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.084 BindingDB Entry DOI: 10.7270/Q2KH0N2T
					More data for this Ligand-Target Pair
Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50400095 (CHEMBL2178407) Show SMILES COC(=O)c1cccc(NC(=O)\C=C\Oc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1 |TLB:18:21:24:28.26.27,THB:26:25:22:28.27.29,26:27:24.25.30:22,29:27:24:30.21.22,29:21:24:28.26.27| Show InChI InChI=1S/C27H29NO4/c1-31-26(30)21-3-2-4-23(14-21)28-25(29)9-10-32-24-7-5-22(6-8-24)27-15-18-11-19(16-27)13-20(12-18)17-27/h2-10,14,18-20H,11-13,15-17H2,1H3,(H,28,29)/b10-9+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy, Dongguk University , Goyang 10326, Korea. Curated by ChEMBL					Assay Description Inhibition of HIF-1alpha in human HCT116 cells incubated for 12 hrs under hypoxic conditions by HRE dual-luciferase reporter gene assay				J Med Chem 60: 8631-8646 (2017) Article DOI: 10.1021/acs.jmedchem.7b01231 BindingDB Entry DOI: 10.7270/Q2QZ2DCF
					More data for this Ligand-Target Pair
Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50253288 (CHEMBL4074474) Show SMILES CO\N=C(\C(=O)OC)c1ccccc1COc1cccc(OCc2ccc(C=C)cc2)c1 Show InChI InChI=1S/C26H25NO5/c1-4-19-12-14-20(15-13-19)17-31-22-9-7-10-23(16-22)32-18-21-8-5-6-11-24(21)25(27-30-3)26(28)29-2/h4-16H,1,17-18H2,2-3H3/b27-25+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
School of Chemistry and Biochemistry, Yeungnam University, 280 Daehak-Ro, Gyeongsan-si, Gyeongbuk 38541, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of hypoxia-induced HIF1alpha (unknown origin) transcriptional activity expressed in human HCT116 cells by HRE luciferase reporter gene ass...				Bioorg Med Chem Lett 27: 3026-3029 (2017) Article DOI: 10.1016/j.bmcl.2017.05.024 BindingDB Entry DOI: 10.7270/Q2V69N15
					More data for this Ligand-Target Pair
Malate dehydrogenase, cytoplasmic (Homo sapiens (Human))	BDBM50250223 (CHEMBL4096306) Show SMILES CC(C)(C)CC(C)(C)c1ccc(OCC(=O)Nc2cc(ccc2O)C(=O)OCC#C)cc1 Show InChI InChI=1S/C26H31NO5/c1-7-14-31-24(30)18-8-13-22(28)21(15-18)27-23(29)16-32-20-11-9-19(10-12-20)26(5,6)17-25(2,3)4/h1,8-13,15,28H,14,16-17H2,2-6H3,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	920	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy, Dongguk University , Goyang 10326, Korea. Curated by ChEMBL					Assay Description Inhibition of human MDH1 expressed in Escherichia coli after 30 mins by oxaloacetate-dependent NADH oxidation assay				J Med Chem 60: 8631-8646 (2017) Article DOI: 10.1021/acs.jmedchem.7b01231 BindingDB Entry DOI: 10.7270/Q2QZ2DCF
					More data for this Ligand-Target Pair
Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50253276 (CHEMBL4101212) Show SMILES CO\N=C(\C(=O)OC)c1ccccc1COc1cccc(OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1 Show InChI InChI=1S/C26H21F6NO5/c1-35-24(34)23(33-36-2)22-9-4-3-6-17(22)15-38-21-8-5-7-20(13-21)37-14-16-10-18(25(27,28)29)12-19(11-16)26(30,31)32/h3-13H,14-15H2,1-2H3/b33-23+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	940	n/a	n/a	n/a	n/a	n/a	n/a
School of Chemistry and Biochemistry, Yeungnam University, 280 Daehak-Ro, Gyeongsan-si, Gyeongbuk 38541, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of hypoxia-induced HIF1alpha (unknown origin) transcriptional activity expressed in human HCT116 cells by HRE luciferase reporter gene ass...				Bioorg Med Chem Lett 27: 3026-3029 (2017) Article DOI: 10.1016/j.bmcl.2017.05.024 BindingDB Entry DOI: 10.7270/Q2V69N15
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50308822 (4-(3'-Chloro-4'-fluorophenylamino)-6-ethynyl-7-met...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1C#C Show InChI InChI=1S/C17H11ClFN3O/c1-3-10-6-12-15(8-16(10)23-2)20-9-21-17(12)22-11-4-5-14(19)13(18)7-11/h1,4-9H,2H3,(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gakushuin University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR by ELISA				Bioorg Med Chem 18: 870-9 (2010) Article DOI: 10.1016/j.bmc.2009.11.035 BindingDB Entry DOI: 10.7270/Q2DF6R97
					More data for this Ligand-Target Pair
Malate dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM50250242 (CHEMBL4068781) Show SMILES COC(=O)c1cccc(NC(=O)CCOc2ccc(cc2)C(C)(C)CC(C)(C)C)c1 Show InChI InChI=1S/C25H33NO4/c1-24(2,3)17-25(4,5)19-10-12-21(13-11-19)30-15-14-22(27)26-20-9-7-8-18(16-20)23(28)29-6/h7-13,16H,14-15,17H2,1-6H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy, Dongguk University , Goyang 10326, Korea. Curated by ChEMBL					Assay Description Inhibition of human MDH2 after 30 mins by oxaloacetate-dependent NADH oxidation assay				J Med Chem 60: 8631-8646 (2017) Article DOI: 10.1021/acs.jmedchem.7b01231 BindingDB Entry DOI: 10.7270/Q2QZ2DCF
					More data for this Ligand-Target Pair
Malate dehydrogenase, cytoplasmic (Homo sapiens (Human))	BDBM50250242 (CHEMBL4068781) Show SMILES COC(=O)c1cccc(NC(=O)CCOc2ccc(cc2)C(C)(C)CC(C)(C)C)c1 Show InChI InChI=1S/C25H33NO4/c1-24(2,3)17-25(4,5)19-10-12-21(13-11-19)30-15-14-22(27)26-20-9-7-8-18(16-20)23(28)29-6/h7-13,16H,14-15,17H2,1-6H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy, Dongguk University , Goyang 10326, Korea. Curated by ChEMBL					Assay Description Inhibition of human MDH1 expressed in Escherichia coli after 30 mins by oxaloacetate-dependent NADH oxidation assay				J Med Chem 60: 8631-8646 (2017) Article DOI: 10.1021/acs.jmedchem.7b01231 BindingDB Entry DOI: 10.7270/Q2QZ2DCF
					More data for this Ligand-Target Pair
Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50250242 (CHEMBL4068781) Show SMILES COC(=O)c1cccc(NC(=O)CCOc2ccc(cc2)C(C)(C)CC(C)(C)C)c1 Show InChI InChI=1S/C25H33NO4/c1-24(2,3)17-25(4,5)19-10-12-21(13-11-19)30-15-14-22(27)26-20-9-7-8-18(16-20)23(28)29-6/h7-13,16H,14-15,17H2,1-6H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy, Dongguk University , Goyang 10326, Korea. Curated by ChEMBL					Assay Description Inhibition of HIF-1alpha in human HCT116 cells incubated for 12 hrs under hypoxic conditions by HRE dual-luciferase reporter gene assay				J Med Chem 60: 8631-8646 (2017) Article DOI: 10.1021/acs.jmedchem.7b01231 BindingDB Entry DOI: 10.7270/Q2QZ2DCF
					More data for this Ligand-Target Pair
Malate dehydrogenase, cytoplasmic (Homo sapiens (Human))	BDBM50400094 (CHEMBL427092) Show SMILES COC(=O)c1ccc(O)c(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1 |TLB:18:21:24.23.28:26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21| Show InChI InChI=1S/C26H29NO5/c1-31-25(30)19-2-7-23(28)22(11-19)27-24(29)15-32-21-5-3-20(4-6-21)26-12-16-8-17(13-26)10-18(9-16)14-26/h2-7,11,16-18,28H,8-10,12-15H2,1H3,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy, Dongguk University , Goyang 10326, Korea. Curated by ChEMBL					Assay Description Inhibition of MDH1 (unknown origin)				J Med Chem 60: 8631-8646 (2017) Article DOI: 10.1021/acs.jmedchem.7b01231 BindingDB Entry DOI: 10.7270/Q2QZ2DCF
					More data for this Ligand-Target Pair
Malate dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM50250244 (CHEMBL4091027) Show SMILES COC(=O)c1cccc(NC(=O)CCCOc2ccc(cc2)C(C)(C)CC(C)(C)C)c1 Show InChI InChI=1S/C26H35NO4/c1-25(2,3)18-26(4,5)20-12-14-22(15-13-20)31-16-8-11-23(28)27-21-10-7-9-19(17-21)24(29)30-6/h7,9-10,12-15,17H,8,11,16,18H2,1-6H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy, Dongguk University , Goyang 10326, Korea. Curated by ChEMBL					Assay Description Inhibition of human MDH2 after 30 mins by oxaloacetate-dependent NADH oxidation assay				J Med Chem 60: 8631-8646 (2017) Article DOI: 10.1021/acs.jmedchem.7b01231 BindingDB Entry DOI: 10.7270/Q2QZ2DCF
					More data for this Ligand-Target Pair
Malate dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM50250221 (CHEMBL4080721) Show SMILES COC(=O)c1ccc(O)c(NC(=O)CCCOc2ccc(cc2)C(C)(C)CC(C)(C)C)c1 Show InChI InChI=1S/C26H35NO5/c1-25(2,3)17-26(4,5)19-10-12-20(13-11-19)32-15-7-8-23(29)27-21-16-18(24(30)31-6)9-14-22(21)28/h9-14,16,28H,7-8,15,17H2,1-6H3,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy, Dongguk University , Goyang 10326, Korea. Curated by ChEMBL					Assay Description Inhibition of human MDH2 after 30 mins by oxaloacetate-dependent NADH oxidation assay				J Med Chem 60: 8631-8646 (2017) Article DOI: 10.1021/acs.jmedchem.7b01231 BindingDB Entry DOI: 10.7270/Q2QZ2DCF
					More data for this Ligand-Target Pair
Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50253294 (CHEMBL4068303) Show SMILES CO\N=C(\C(=O)OC)c1ccccc1COc1cccc(OCc2ccccc2)c1 Show InChI InChI=1S/C24H23NO5/c1-27-24(26)23(25-28-2)22-14-7-6-11-19(22)17-30-21-13-8-12-20(15-21)29-16-18-9-4-3-5-10-18/h3-15H,16-17H2,1-2H3/b25-23+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
School of Chemistry and Biochemistry, Yeungnam University, 280 Daehak-Ro, Gyeongsan-si, Gyeongbuk 38541, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of hypoxia-induced HIF1alpha (unknown origin) transcriptional activity expressed in human HCT116 cells by HRE luciferase reporter gene ass...				Bioorg Med Chem Lett 27: 3026-3029 (2017) Article DOI: 10.1016/j.bmcl.2017.05.024 BindingDB Entry DOI: 10.7270/Q2V69N15
					More data for this Ligand-Target Pair
Malate dehydrogenase, cytoplasmic (Homo sapiens (Human))	BDBM50250235 (CHEMBL4065526) Show SMILES COC(=O)c1ccc(O)c(NC(=O)COc2ccc(cc2)C(C)(C)CC(C)(C)C)c1 Show InChI InChI=1S/C24H31NO5/c1-23(2,3)15-24(4,5)17-8-10-18(11-9-17)30-14-21(27)25-19-13-16(22(28)29-6)7-12-20(19)26/h7-13,26H,14-15H2,1-6H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy, Dongguk University , Goyang 10326, Korea. Curated by ChEMBL					Assay Description Inhibition of human MDH1 expressed in Escherichia coli after 30 mins by oxaloacetate-dependent NADH oxidation assay				J Med Chem 60: 8631-8646 (2017) Article DOI: 10.1021/acs.jmedchem.7b01231 BindingDB Entry DOI: 10.7270/Q2QZ2DCF
					More data for this Ligand-Target Pair
Malate dehydrogenase, cytoplasmic (Homo sapiens (Human))	BDBM50250244 (CHEMBL4091027) Show SMILES COC(=O)c1cccc(NC(=O)CCCOc2ccc(cc2)C(C)(C)CC(C)(C)C)c1 Show InChI InChI=1S/C26H35NO4/c1-25(2,3)18-26(4,5)20-12-14-22(15-13-20)31-16-8-11-23(28)27-21-10-7-9-19(17-21)24(29)30-6/h7,9-10,12-15,17H,8,11,16,18H2,1-6H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy, Dongguk University , Goyang 10326, Korea. Curated by ChEMBL					Assay Description Inhibition of human MDH1 expressed in Escherichia coli after 30 mins by oxaloacetate-dependent NADH oxidation assay				J Med Chem 60: 8631-8646 (2017) Article DOI: 10.1021/acs.jmedchem.7b01231 BindingDB Entry DOI: 10.7270/Q2QZ2DCF
					More data for this Ligand-Target Pair
Malate dehydrogenase, cytoplasmic (Homo sapiens (Human))	BDBM50250220 (CHEMBL4098767) Show SMILES COC(=O)c1cccc(NC(=O)C(C)(C)Oc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1 |TLB:29:24:31:28.27.30,29:28:31:25.24.23,THB:23:24:27:31.22.30,23:22:25.24.29:27| Show InChI InChI=1S/C28H33NO4/c1-27(2,26(31)29-23-6-4-5-21(14-23)25(30)32-3)33-24-9-7-22(8-10-24)28-15-18-11-19(16-28)13-20(12-18)17-28/h4-10,14,18-20H,11-13,15-17H2,1-3H3,(H,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy, Dongguk University , Goyang 10326, Korea. Curated by ChEMBL					Assay Description Inhibition of human MDH1 expressed in Escherichia coli after 30 mins by oxaloacetate-dependent NADH oxidation assay				J Med Chem 60: 8631-8646 (2017) Article DOI: 10.1021/acs.jmedchem.7b01231 BindingDB Entry DOI: 10.7270/Q2QZ2DCF
					More data for this Ligand-Target Pair
Malate dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM50250243 (CHEMBL4074947) Show SMILES COC(=O)c1cccc(NC(=O)C(C)(C)Oc2ccc(cc2)C(C)(C)CC(C)(C)C)c1 Show InChI InChI=1S/C26H35NO4/c1-24(2,3)17-25(4,5)19-12-14-21(15-13-19)31-26(6,7)23(29)27-20-11-9-10-18(16-20)22(28)30-8/h9-16H,17H2,1-8H3,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy, Dongguk University , Goyang 10326, Korea. Curated by ChEMBL					Assay Description Inhibition of human MDH2 after 30 mins by oxaloacetate-dependent NADH oxidation assay				J Med Chem 60: 8631-8646 (2017) Article DOI: 10.1021/acs.jmedchem.7b01231 BindingDB Entry DOI: 10.7270/Q2QZ2DCF
					More data for this Ligand-Target Pair
Malate dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM50250220 (CHEMBL4098767) Show SMILES COC(=O)c1cccc(NC(=O)C(C)(C)Oc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1 |TLB:29:24:31:28.27.30,29:28:31:25.24.23,THB:23:24:27:31.22.30,23:22:25.24.29:27| Show InChI InChI=1S/C28H33NO4/c1-27(2,26(31)29-23-6-4-5-21(14-23)25(30)32-3)33-24-9-7-22(8-10-24)28-15-18-11-19(16-28)13-20(12-18)17-28/h4-10,14,18-20H,11-13,15-17H2,1-3H3,(H,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy, Dongguk University , Goyang 10326, Korea. Curated by ChEMBL					Assay Description Inhibition of human MDH2 after 30 mins by oxaloacetate-dependent NADH oxidation assay				J Med Chem 60: 8631-8646 (2017) Article DOI: 10.1021/acs.jmedchem.7b01231 BindingDB Entry DOI: 10.7270/Q2QZ2DCF
					More data for this Ligand-Target Pair
Malate dehydrogenase, cytoplasmic (Homo sapiens (Human))	BDBM50250243 (CHEMBL4074947) Show SMILES COC(=O)c1cccc(NC(=O)C(C)(C)Oc2ccc(cc2)C(C)(C)CC(C)(C)C)c1 Show InChI InChI=1S/C26H35NO4/c1-24(2,3)17-25(4,5)19-12-14-21(15-13-19)31-26(6,7)23(29)27-20-11-9-10-18(16-20)22(28)30-8/h9-16H,17H2,1-8H3,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy, Dongguk University , Goyang 10326, Korea. Curated by ChEMBL					Assay Description Inhibition of human MDH1 expressed in Escherichia coli after 30 mins by oxaloacetate-dependent NADH oxidation assay				J Med Chem 60: 8631-8646 (2017) Article DOI: 10.1021/acs.jmedchem.7b01231 BindingDB Entry DOI: 10.7270/Q2QZ2DCF
					More data for this Ligand-Target Pair
Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM91950 (Chk1_82) Show SMILES COc1ccc(Nc2[nH]nc-3c2Cc2ccccc-32)cc1 Show InChI InChI=1S/C17H15N3O/c1-21-13-8-6-12(7-9-13)18-17-15-10-11-4-2-3-5-14(11)16(15)19-20-17/h2-9H,10H2,1H3,(H2,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gakushuin University Curated by ChEMBL					Assay Description Inhibition of hypoxia-induced HIF1alpha transcriptional activity in human HeLa cells expressing HRE-Luc after 12 hrs by luciferase reporter gene assa...				ACS Med Chem Lett 4: 297-301 (2013) Article DOI: 10.1021/ml3004632 BindingDB Entry DOI: 10.7270/Q2R212P9
					More data for this Ligand-Target Pair

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