Compile Data Set for Download or QSAR

Found 115 hits with Last Name = 'lee' and Initial = 'ce'   

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
Cathepsin D (Homo sapiens (Human))	BDBM50076285 (1-Acetyl-piperidine-4-carboxylic acid (2-benzo[1,3...) Show SMILES CC(=O)N1CCC(CC1)C(=O)N(CCc1ccc2OCOc2c1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)CNc1cccc(Cl)c1 Show InChI InChI=1S/C35H41ClN4O6/c1-24(41)39-16-13-27(14-17-39)35(44)40(15-12-26-10-11-32-33(19-26)46-23-45-32)22-31(42)30(18-25-6-3-2-4-7-25)38-34(43)21-37-29-9-5-8-28(36)20-29/h2-11,19-20,27,30-31,37,42H,12-18,21-23H2,1H3,(H,38,43)/t30-,31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Compound was tested for the inhibitory activity against human liver cathepsin D				J Med Chem 42: 1428-40 (1999) Article DOI: 10.1021/jm980641t BindingDB Entry DOI: 10.7270/Q2MS3RZX
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50076294 (1-Acetyl-piperidine-4-carboxylic acid (2-benzo[1,3...) Show SMILES CC(=O)N1CCC(CC1)C(=O)N(CCc1ccc2OCOc2c1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)COc1cccc(Cl)c1 Show InChI InChI=1S/C35H40ClN3O7/c1-24(40)38-16-13-27(14-17-38)35(43)39(15-12-26-10-11-32-33(19-26)46-23-45-32)21-31(41)30(18-25-6-3-2-4-7-25)37-34(42)22-44-29-9-5-8-28(36)20-29/h2-11,19-20,27,30-31,41H,12-18,21-23H2,1H3,(H,37,42)/t30-,31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Compound was tested for the inhibitory activity against human liver cathepsin D				J Med Chem 42: 1428-40 (1999) Article DOI: 10.1021/jm980641t BindingDB Entry DOI: 10.7270/Q2MS3RZX
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50076292 (1-Methyl-piperidine-4-carboxylic acid {(2S,3S)-3-[...) Show SMILES COc1ccc(CCN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)COc2cccc(Cl)c2)C(=O)C2CCN(C)CC2)cc1 Show InChI InChI=1S/C34H42ClN3O5/c1-37-18-16-27(17-19-37)34(41)38(20-15-25-11-13-29(42-2)14-12-25)23-32(39)31(21-26-7-4-3-5-8-26)36-33(40)24-43-30-10-6-9-28(35)22-30/h3-14,22,27,31-32,39H,15-21,23-24H2,1-2H3,(H,36,40)/t31-,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibitory activity against Plasmepsin 2				J Med Chem 42: 1428-40 (1999) Article DOI: 10.1021/jm980641t BindingDB Entry DOI: 10.7270/Q2MS3RZX
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50076291 (1-Methyl-piperidine-4-carboxylic acid (2-benzo[1,3...) Show SMILES CN1CCC(CC1)C(=O)N(CCc1ccc2OCOc2c1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)COc1cccc(Cl)c1 Show InChI InChI=1S/C34H40ClN3O6/c1-37-15-13-26(14-16-37)34(41)38(17-12-25-10-11-31-32(19-25)44-23-43-31)21-30(39)29(18-24-6-3-2-4-7-24)36-33(40)22-42-28-9-5-8-27(35)20-28/h2-11,19-20,26,29-30,39H,12-18,21-23H2,1H3,(H,36,40)/t29-,30-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibitory activity against Plasmepsin 2				J Med Chem 42: 1428-40 (1999) Article DOI: 10.1021/jm980641t BindingDB Entry DOI: 10.7270/Q2MS3RZX
					More data for this Ligand-Target Pair				3D Structure (docked)
Plasmepsin II (Plasmodium falciparum)	BDBM50076285 (1-Acetyl-piperidine-4-carboxylic acid (2-benzo[1,3...) Show SMILES CC(=O)N1CCC(CC1)C(=O)N(CCc1ccc2OCOc2c1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)CNc1cccc(Cl)c1 Show InChI InChI=1S/C35H41ClN4O6/c1-24(41)39-16-13-27(14-17-39)35(44)40(15-12-26-10-11-32-33(19-26)46-23-45-32)22-31(42)30(18-25-6-3-2-4-7-25)38-34(43)21-37-29-9-5-8-28(36)20-29/h2-11,19-20,27,30-31,37,42H,12-18,21-23H2,1H3,(H,38,43)/t30-,31-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibitory activity against Plasmepsin 2				J Med Chem 42: 1428-40 (1999) Article DOI: 10.1021/jm980641t BindingDB Entry DOI: 10.7270/Q2MS3RZX
					More data for this Ligand-Target Pair				3D Structure (docked)
Plasmepsin II (Plasmodium falciparum)	BDBM50076294 (1-Acetyl-piperidine-4-carboxylic acid (2-benzo[1,3...) Show SMILES CC(=O)N1CCC(CC1)C(=O)N(CCc1ccc2OCOc2c1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)COc1cccc(Cl)c1 Show InChI InChI=1S/C35H40ClN3O7/c1-24(40)38-16-13-27(14-17-38)35(43)39(15-12-26-10-11-32-33(19-26)46-23-45-32)21-31(41)30(18-25-6-3-2-4-7-25)37-34(42)22-44-29-9-5-8-28(36)20-29/h2-11,19-20,27,30-31,41H,12-18,21-23H2,1H3,(H,37,42)/t30-,31-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibitory activity against Plasmepsin 2				J Med Chem 42: 1428-40 (1999) Article DOI: 10.1021/jm980641t BindingDB Entry DOI: 10.7270/Q2MS3RZX
					More data for this Ligand-Target Pair				3D Structure (docked)
Plasmepsin II (Plasmodium falciparum)	BDBM50076287 (1-Methyl-piperidine-4-carboxylic acid [(2S,3S)-3-(...) Show SMILES COc1ccc(CCN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)C(=O)C2CCN(C)CC2)cc1 Show InChI InChI=1S/C42H51N3O7/c1-44-22-20-33(21-23-44)42(48)45(24-19-30-15-17-35(49-2)18-16-30)28-37(46)36(25-31-11-7-5-8-12-31)43-41(47)34-26-38(50-3)40(39(27-34)51-4)52-29-32-13-9-6-10-14-32/h5-18,26-27,33,36-37,46H,19-25,28-29H2,1-4H3,(H,43,47)/t36-,37-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibitory activity against Plasmepsin 2				J Med Chem 42: 1428-40 (1999) Article DOI: 10.1021/jm980641t BindingDB Entry DOI: 10.7270/Q2MS3RZX
					More data for this Ligand-Target Pair				3D Structure (docked)
Cathepsin D (Homo sapiens (Human))	BDBM50076293 (1-Acetyl-piperidine-4-carboxylic acid (2-benzo[1,3...) Show SMILES COc1cc(cc(OC)c1OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CCc1ccc2OCOc2c1)C(=O)C1CCN(CC1)C(C)=O Show InChI InChI=1S/C43H49N3O9/c1-29(47)45-20-17-33(18-21-45)43(50)46(19-16-31-14-15-37-38(23-31)55-28-54-37)26-36(48)35(22-30-10-6-4-7-11-30)44-42(49)34-24-39(51-2)41(40(25-34)52-3)53-27-32-12-8-5-9-13-32/h4-15,23-25,33,35-36,48H,16-22,26-28H2,1-3H3,(H,44,49)/t35-,36-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Compound was tested for the inhibitory activity against human liver cathepsin D				J Med Chem 42: 1428-40 (1999) Article DOI: 10.1021/jm980641t BindingDB Entry DOI: 10.7270/Q2MS3RZX
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM8019 (2-(3-chlorophenoxy)-N-[(2S,3S)-3-hydroxy-4-{N-[2-(...) Show SMILES COc1ccc(CCN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)COc2cccc(Cl)c2)C(=O)C2CCNCC2)cc1 |r| Show InChI InChI=1S/C33H40ClN3O5/c1-41-28-12-10-24(11-13-28)16-19-37(33(40)26-14-17-35-18-15-26)22-31(38)30(20-25-6-3-2-4-7-25)36-32(39)23-42-29-9-5-8-27(34)21-29/h2-13,21,26,30-31,35,38H,14-20,22-23H2,1H3,(H,36,39)/t30-,31-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibitory activity against Plasmepsin 2				J Med Chem 42: 1428-40 (1999) Article DOI: 10.1021/jm980641t BindingDB Entry DOI: 10.7270/Q2MS3RZX
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50076293 (1-Acetyl-piperidine-4-carboxylic acid (2-benzo[1,3...) Show SMILES COc1cc(cc(OC)c1OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CCc1ccc2OCOc2c1)C(=O)C1CCN(CC1)C(C)=O Show InChI InChI=1S/C43H49N3O9/c1-29(47)45-20-17-33(18-21-45)43(50)46(19-16-31-14-15-37-38(23-31)55-28-54-37)26-36(48)35(22-30-10-6-4-7-11-30)44-42(49)34-24-39(51-2)41(40(25-34)52-3)53-27-32-12-8-5-9-13-32/h4-15,23-25,33,35-36,48H,16-22,26-28H2,1-3H3,(H,44,49)/t35-,36-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibitory activity against Plasmepsin 2				J Med Chem 42: 1428-40 (1999) Article DOI: 10.1021/jm980641t BindingDB Entry DOI: 10.7270/Q2MS3RZX
					More data for this Ligand-Target Pair				3D Structure (docked)
Cathepsin D (Homo sapiens (Human))	BDBM50076291 (1-Methyl-piperidine-4-carboxylic acid (2-benzo[1,3...) Show SMILES CN1CCC(CC1)C(=O)N(CCc1ccc2OCOc2c1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)COc1cccc(Cl)c1 Show InChI InChI=1S/C34H40ClN3O6/c1-37-15-13-26(14-16-37)34(41)38(17-12-25-10-11-31-32(19-25)44-23-43-31)21-30(39)29(18-24-6-3-2-4-7-24)36-33(40)22-42-28-9-5-8-27(35)20-28/h2-11,19-20,26,29-30,39H,12-18,21-23H2,1H3,(H,36,40)/t29-,30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Compound was tested for the inhibitory activity against human liver cathepsin D				J Med Chem 42: 1428-40 (1999) Article DOI: 10.1021/jm980641t BindingDB Entry DOI: 10.7270/Q2MS3RZX
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50076288 (CHEMBL284955 | Piperidine-4-carboxylic acid [(2S,3...) Show SMILES COc1ccc(CCN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)C(=O)C2CCNCC2)cc1 Show InChI InChI=1S/C41H49N3O7/c1-48-34-16-14-29(15-17-34)20-23-44(41(47)32-18-21-42-22-19-32)27-36(45)35(24-30-10-6-4-7-11-30)43-40(46)33-25-37(49-2)39(38(26-33)50-3)51-28-31-12-8-5-9-13-31/h4-17,25-26,32,35-36,42,45H,18-24,27-28H2,1-3H3,(H,43,46)/t35-,36-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibitory activity against Plasmepsin 2				J Med Chem 42: 1428-40 (1999) Article DOI: 10.1021/jm980641t BindingDB Entry DOI: 10.7270/Q2MS3RZX
					More data for this Ligand-Target Pair				3D Structure (docked)
Cathepsin D (Homo sapiens (Human))	BDBM50076292 (1-Methyl-piperidine-4-carboxylic acid {(2S,3S)-3-[...) Show SMILES COc1ccc(CCN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)COc2cccc(Cl)c2)C(=O)C2CCN(C)CC2)cc1 Show InChI InChI=1S/C34H42ClN3O5/c1-37-18-16-27(17-19-37)34(41)38(20-15-25-11-13-29(42-2)14-12-25)23-32(39)31(21-26-7-4-3-5-8-26)36-33(40)24-43-30-10-6-9-28(35)22-30/h3-14,22,27,31-32,39H,15-21,23-24H2,1-2H3,(H,36,40)/t31-,32-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Compound was tested for the inhibitory activity against human liver cathepsin D				J Med Chem 42: 1428-40 (1999) Article DOI: 10.1021/jm980641t BindingDB Entry DOI: 10.7270/Q2MS3RZX
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50076286 (CHEMBL34051 | N-(2-Benzo[1,3]dioxol-5-yl-ethyl)-N-...) Show SMILES O[C@@H](CN(CCc1ccc2OCOc2c1)C(=O)CCN1C(=O)c2ccccc2C1=O)[C@H](Cc1ccccc1)NC(=O)COc1cccc(Cl)c1 Show InChI InChI=1S/C38H36ClN3O8/c39-27-9-6-10-28(21-27)48-23-35(44)40-31(19-25-7-2-1-3-8-25)32(43)22-41(17-15-26-13-14-33-34(20-26)50-24-49-33)36(45)16-18-42-37(46)29-11-4-5-12-30(29)38(42)47/h1-14,20-21,31-32,43H,15-19,22-24H2,(H,40,44)/t31-,32-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Compound was tested for the inhibitory activity against human liver cathepsin D				J Med Chem 42: 1428-40 (1999) Article DOI: 10.1021/jm980641t BindingDB Entry DOI: 10.7270/Q2MS3RZX
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50076287 (1-Methyl-piperidine-4-carboxylic acid [(2S,3S)-3-(...) Show SMILES COc1ccc(CCN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)C(=O)C2CCN(C)CC2)cc1 Show InChI InChI=1S/C42H51N3O7/c1-44-22-20-33(21-23-44)42(48)45(24-19-30-15-17-35(49-2)18-16-30)28-37(46)36(25-31-11-7-5-8-12-31)43-41(47)34-26-38(50-3)40(39(27-34)51-4)52-29-32-13-9-6-10-14-32/h5-18,26-27,33,36-37,46H,19-25,28-29H2,1-4H3,(H,43,47)/t36-,37-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Compound was tested for the inhibitory activity against human liver cathepsin D				J Med Chem 42: 1428-40 (1999) Article DOI: 10.1021/jm980641t BindingDB Entry DOI: 10.7270/Q2MS3RZX
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM8019 (2-(3-chlorophenoxy)-N-[(2S,3S)-3-hydroxy-4-{N-[2-(...) Show SMILES COc1ccc(CCN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)COc2cccc(Cl)c2)C(=O)C2CCNCC2)cc1 |r| Show InChI InChI=1S/C33H40ClN3O5/c1-41-28-12-10-24(11-13-28)16-19-37(33(40)26-14-17-35-18-15-26)22-31(38)30(20-25-6-3-2-4-7-25)36-32(39)23-42-29-9-5-8-27(34)21-29/h2-13,21,26,30-31,35,38H,14-20,22-23H2,1H3,(H,36,39)/t30-,31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Compound was tested for the inhibitory activity against human liver cathepsin D				J Med Chem 42: 1428-40 (1999) Article DOI: 10.1021/jm980641t BindingDB Entry DOI: 10.7270/Q2MS3RZX
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50076288 (CHEMBL284955 | Piperidine-4-carboxylic acid [(2S,3...) Show SMILES COc1ccc(CCN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)C(=O)C2CCNCC2)cc1 Show InChI InChI=1S/C41H49N3O7/c1-48-34-16-14-29(15-17-34)20-23-44(41(47)32-18-21-42-22-19-32)27-36(45)35(24-30-10-6-4-7-11-30)43-40(46)33-25-37(49-2)39(38(26-33)50-3)51-28-31-12-8-5-9-13-31/h4-17,25-26,32,35-36,42,45H,18-24,27-28H2,1-3H3,(H,43,46)/t35-,36-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Compound was tested for the inhibitory activity against human liver cathepsin D				J Med Chem 42: 1428-40 (1999) Article DOI: 10.1021/jm980641t BindingDB Entry DOI: 10.7270/Q2MS3RZX
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50076289 (CHEMBL32997 | N-((1S,2S)-3-{(2-Benzo[1,3]dioxol-5-...) Show SMILES COc1cc(cc(OC)c1OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CCc1ccc2OCOc2c1)C(=O)CCN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C46H45N3O10/c1-55-40-25-33(26-41(56-2)43(40)57-28-32-13-7-4-8-14-32)44(52)47-36(23-30-11-5-3-6-12-30)37(50)27-48(21-19-31-17-18-38-39(24-31)59-29-58-38)42(51)20-22-49-45(53)34-15-9-10-16-35(34)46(49)54/h3-18,24-26,36-37,50H,19-23,27-29H2,1-2H3,(H,47,52)/t36-,37-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibitory activity against Plasmepsin 2				J Med Chem 42: 1428-40 (1999) Article DOI: 10.1021/jm980641t BindingDB Entry DOI: 10.7270/Q2MS3RZX
					More data for this Ligand-Target Pair				3D Structure (docked)
Plasmepsin II (Plasmodium falciparum)	BDBM50076286 (CHEMBL34051 | N-(2-Benzo[1,3]dioxol-5-yl-ethyl)-N-...) Show SMILES O[C@@H](CN(CCc1ccc2OCOc2c1)C(=O)CCN1C(=O)c2ccccc2C1=O)[C@H](Cc1ccccc1)NC(=O)COc1cccc(Cl)c1 Show InChI InChI=1S/C38H36ClN3O8/c39-27-9-6-10-28(21-27)48-23-35(44)40-31(19-25-7-2-1-3-8-25)32(43)22-41(17-15-26-13-14-33-34(20-26)50-24-49-33)36(45)16-18-42-37(46)29-11-4-5-12-30(29)38(42)47/h1-14,20-21,31-32,43H,15-19,22-24H2,(H,40,44)/t31-,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibitory activity against Plasmepsin 2				J Med Chem 42: 1428-40 (1999) Article DOI: 10.1021/jm980641t BindingDB Entry DOI: 10.7270/Q2MS3RZX
					More data for this Ligand-Target Pair				3D Structure (docked)
Plasmepsin II (Plasmodium falciparum)	BDBM50076290 (CHEMBL284151 | N-(2-Benzo[1,3]dioxol-5-yl-ethyl)-N...) Show SMILES Cc1ccc(C)c(OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](O)CN(CCc2ccc3OCOc3c2)C(=O)CCN2C(=O)c3ccccc3C2=O)c1 Show InChI InChI=1S/C40H41N3O8/c1-26-12-13-27(2)35(20-26)49-24-37(45)41-32(21-28-8-4-3-5-9-28)33(44)23-42(18-16-29-14-15-34-36(22-29)51-25-50-34)38(46)17-19-43-39(47)30-10-6-7-11-31(30)40(43)48/h3-15,20,22,32-33,44H,16-19,21,23-25H2,1-2H3,(H,41,45)/t32-,33-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibitory activity against Plasmepsin 2				J Med Chem 42: 1428-40 (1999) Article DOI: 10.1021/jm980641t BindingDB Entry DOI: 10.7270/Q2MS3RZX
					More data for this Ligand-Target Pair				3D Structure (docked)
Anthranilate phosphoribosyltransferase (Mycobacterium tuberculosis)	BDBM93073 (ACS No 172) Show SMILES [O-]C(=O)c1ccccc1Nc1ccccc1C([O-])=O Show InChI InChI=1S/C14H11NO4/c16-13(17)9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14(18)19/h1-8,15H,(H,16,17)(H,18,19)/p-2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description The initial screen was performed in a 96-well plate using the fluoresence-based assay previously described. An enzyme-coupled absorbance-based assay...				Biochemistry 52: 1776-1787 (2013) Article DOI: 10.1021/bi301387m BindingDB Entry DOI: 10.7270/Q2B56HBD
					More data for this Ligand-Target Pair
Anthranilate phosphoribosyltransferase (Mycobacterium tuberculosis)	BDBM93074 (ACS No 142) Show SMILES Cc1cc(C)c(N)c(c1)C([O-])=O Show InChI InChI=1S/C9H11NO2/c1-5-3-6(2)8(10)7(4-5)9(11)12/h3-4H,10H2,1-2H3,(H,11,12)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description The initial screen was performed in a 96-well plate using the fluoresence-based assay previously described. An enzyme-coupled absorbance-based assay...				Biochemistry 52: 1776-1787 (2013) Article DOI: 10.1021/bi301387m BindingDB Entry DOI: 10.7270/Q2B56HBD
					More data for this Ligand-Target Pair
Anthranilate phosphoribosyltransferase (Mycobacterium tuberculosis)	BDBM93075 (ACS No 145) Show SMILES COc1cc(N)c(cc1OC)C([O-])=O Show InChI InChI=1S/C9H11NO4/c1-13-7-3-5(9(11)12)6(10)4-8(7)14-2/h3-4H,10H2,1-2H3,(H,11,12)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description The initial screen was performed in a 96-well plate using the fluoresence-based assay previously described. An enzyme-coupled absorbance-based assay...				Biochemistry 52: 1776-1787 (2013) Article DOI: 10.1021/bi301387m BindingDB Entry DOI: 10.7270/Q2B56HBD
					More data for this Ligand-Target Pair
Anthranilate phosphoribosyltransferase (Mycobacterium tuberculosis)	BDBM93076 (ACS No 174) Show SMILES [O-]C(=O)c1ccccc1Cc1ccccc1 Show InChI InChI=1S/C14H12O2/c15-14(16)13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description The initial screen was performed in a 96-well plate using the fluoresence-based assay previously described. An enzyme-coupled absorbance-based assay...				Biochemistry 52: 1776-1787 (2013) Article DOI: 10.1021/bi301387m BindingDB Entry DOI: 10.7270/Q2B56HBD
					More data for this Ligand-Target Pair
Anthranilate phosphoribosyltransferase (Mycobacterium tuberculosis)	BDBM93077 (ACS No 179) Show SMILES COc1cccc2c1cc([N+]([O-])=O)c1c(cc3OCOc3c21)C([O-])=O Show InChI InChI=1S/C17H11NO7/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13/h2-6H,7H2,1H3,(H,19,20)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description The initial screen was performed in a 96-well plate using the fluoresence-based assay previously described. An enzyme-coupled absorbance-based assay...				Biochemistry 52: 1776-1787 (2013) Article DOI: 10.1021/bi301387m BindingDB Entry DOI: 10.7270/Q2B56HBD
					More data for this Ligand-Target Pair
Anthranilate phosphoribosyltransferase (Mycobacterium tuberculosis)	BDBM93078 (ACS No 126) Show SMILES COc1ccc(cc1N)C([O-])=O Show InChI InChI=1S/C8H9NO3/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,9H2,1H3,(H,10,11)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description The initial screen was performed in a 96-well plate using the fluoresence-based assay previously described. An enzyme-coupled absorbance-based assay...				Biochemistry 52: 1776-1787 (2013) Article DOI: 10.1021/bi301387m BindingDB Entry DOI: 10.7270/Q2B56HBD
					More data for this Ligand-Target Pair
Anthranilate phosphoribosyltransferase (Mycobacterium tuberculosis)	BDBM93079 (ACS No 165) Show SMILES NC(CCCNc1ccc(cc1N(=O)=O)[N+]([O-])=O)CC([O-])=O Show InChI InChI=1S/C12H16N4O6/c13-8(6-12(17)18)2-1-5-14-10-4-3-9(15(19)20)7-11(10)16(21)22/h3-4,7-8,14H,1-2,5-6,13H2,(H,17,18)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	7.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description The initial screen was performed in a 96-well plate using the fluoresence-based assay previously described. An enzyme-coupled absorbance-based assay...				Biochemistry 52: 1776-1787 (2013) Article DOI: 10.1021/bi301387m BindingDB Entry DOI: 10.7270/Q2B56HBD
					More data for this Ligand-Target Pair
Anthranilate phosphoribosyltransferase (Mycobacterium tuberculosis)	BDBM85513 (ACS No 10 | CAS_54-21-7 | NSC_5900 | Sodium salicy...) Show SMILES Oc1ccccc1C([O-])=O Show InChI InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.19E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description The initial screen was performed in a 96-well plate using the fluoresence-based assay previously described. An enzyme-coupled absorbance-based assay...				Biochemistry 52: 1776-1787 (2013) Article DOI: 10.1021/bi301387m BindingDB Entry DOI: 10.7270/Q2B56HBD
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50105306 (CHEMBL3597782) Show SMILES Fc1ccc(Br)c(F)c1[C@H]1C[C@H](Nc2nnnn12)c1cccc(Br)c1 |r| Show InChI InChI=1S/C16H11Br2F2N5/c17-9-3-1-2-8(6-9)12-7-13(25-16(21-12)22-23-24-25)14-11(19)5-4-10(18)15(14)20/h1-6,12-13H,7H2,(H,21,22,24)/t12-,13+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Binding affinity to wild type GST-tagged HIF-2alpha PAS-B (240 to 350) (unknown origin) expressed in Escherichia coli assessed as inhibition of inter...				J Med Chem 58: 5930-41 (2015) Article DOI: 10.1021/acs.jmedchem.5b00529 BindingDB Entry DOI: 10.7270/Q2G162K1
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50105310 (CHEMBL3597786) Show SMILES Fc1cc(Br)cc(c1)[C@@H]1C[C@H](c2cccc(Br)c2)n2nnnc2N1 |r| Show InChI InChI=1S/C16H12Br2FN5/c17-11-3-1-2-9(4-11)15-8-14(20-16-21-22-23-24(15)16)10-5-12(18)7-13(19)6-10/h1-7,14-15H,8H2,(H,20,21,23)/t14-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Binding affinity to wild type GST-tagged HIF-2alpha PAS-B (240 to 350) (unknown origin) expressed in Escherichia coli assessed as inhibition of inter...				J Med Chem 58: 5930-41 (2015) Article DOI: 10.1021/acs.jmedchem.5b00529 BindingDB Entry DOI: 10.7270/Q2G162K1
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50105280 (CHEMBL3597780) Show SMILES Clc1ccc(Br)cc1[C@H]1C[C@H](Nc2nnnn12)c1cccc(Br)c1 |r| Show InChI InChI=1S/C16H12Br2ClN5/c17-10-3-1-2-9(6-10)14-8-15(24-16(20-14)21-22-23-24)12-7-11(18)4-5-13(12)19/h1-7,14-15H,8H2,(H,20,21,23)/t14-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Binding affinity to wild type GST-tagged HIF-2alpha PAS-B (240 to 350) (unknown origin) expressed in Escherichia coli assessed as inhibition of inter...				J Med Chem 58: 5930-41 (2015) Article DOI: 10.1021/acs.jmedchem.5b00529 BindingDB Entry DOI: 10.7270/Q2G162K1
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50105308 (CHEMBL3597784) Show SMILES Fc1cc(Br)cc(c1)[C@@H]1C[C@H](c2ccccc2)n2nnnc2N1 |r| Show InChI InChI=1S/C16H13BrFN5/c17-12-6-11(7-13(18)8-12)14-9-15(10-4-2-1-3-5-10)23-16(19-14)20-21-22-23/h1-8,14-15H,9H2,(H,19,20,22)/t14-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Binding affinity to wild type GST-tagged HIF-2alpha PAS-B (240 to 350) (unknown origin) expressed in Escherichia coli assessed as inhibition of inter...				J Med Chem 58: 5930-41 (2015) Article DOI: 10.1021/acs.jmedchem.5b00529 BindingDB Entry DOI: 10.7270/Q2G162K1
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50105278 (CHEMBL3597778) Show SMILES Brc1cccc(c1)[C@@H]1C[C@H](c2cccc(I)c2)n2nnnc2N1 |r| Show InChI InChI=1S/C16H13BrIN5/c17-12-5-1-3-10(7-12)14-9-15(11-4-2-6-13(18)8-11)23-16(19-14)20-21-22-23/h1-8,14-15H,9H2,(H,19,20,22)/t14-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	108	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Binding affinity to wild type GST-tagged HIF-2alpha PAS-B (240 to 350) (unknown origin) expressed in Escherichia coli assessed as inhibition of inter...				J Med Chem 58: 5930-41 (2015) Article DOI: 10.1021/acs.jmedchem.5b00529 BindingDB Entry DOI: 10.7270/Q2G162K1
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50105276 (CHEMBL3597698) Show SMILES Brc1cccc(c1)[C@@H]1C[C@H](c2cccc(Br)c2)n2nnnc2N1 |r| Show InChI InChI=1S/C16H13Br2N5/c17-12-5-1-3-10(7-12)14-9-15(11-4-2-6-13(18)8-11)23-16(19-14)20-21-22-23/h1-8,14-15H,9H2,(H,19,20,22)/t14-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Binding affinity to wild type GST-tagged HIF-2alpha PAS-B (240 to 350) (unknown origin) expressed in Escherichia coli assessed as inhibition of inter...				J Med Chem 58: 5930-41 (2015) Article DOI: 10.1021/acs.jmedchem.5b00529 BindingDB Entry DOI: 10.7270/Q2G162K1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50105274 (CHEMBL3597696) Show SMILES Clc1ccccc1[C@H]1C[C@H](Nc2nnnn12)c1cccc(Br)c1 |r| Show InChI InChI=1S/C16H13BrClN5/c17-11-5-3-4-10(8-11)14-9-15(12-6-1-2-7-13(12)18)23-16(19-14)20-21-22-23/h1-8,14-15H,9H2,(H,19,20,22)/t14-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	195	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Binding affinity to wild type GST-tagged HIF-2alpha PAS-B (240 to 350) (unknown origin) expressed in Escherichia coli assessed as inhibition of inter...				J Med Chem 58: 5930-41 (2015) Article DOI: 10.1021/acs.jmedchem.5b00529 BindingDB Entry DOI: 10.7270/Q2G162K1
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50105268 (CHEMBL3597690) Show SMILES Brc1cccc(c1)[C@@H]1C[C@H](c2ccccc2)n2nnnc2N1 |r| Show InChI InChI=1S/C16H14BrN5/c17-13-8-4-7-12(9-13)14-10-15(11-5-2-1-3-6-11)22-16(18-14)19-20-21-22/h1-9,14-15H,10H2,(H,18,19,21)/t14-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	248	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Binding affinity to wild type GST-tagged HIF-2alpha PAS-B (240 to 350) (unknown origin) expressed in Escherichia coli assessed as inhibition of inter...				J Med Chem 58: 5930-41 (2015) Article DOI: 10.1021/acs.jmedchem.5b00529 BindingDB Entry DOI: 10.7270/Q2G162K1
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50105272 (CHEMBL3597694) Show SMILES Brc1cccc(c1)[C@@H]1C[C@H](c2ccccc2Br)n2nnnc2N1 |r| Show InChI InChI=1S/C16H13Br2N5/c17-11-5-3-4-10(8-11)14-9-15(12-6-1-2-7-13(12)18)23-16(19-14)20-21-22-23/h1-8,14-15H,9H2,(H,19,20,22)/t14-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	314	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Binding affinity to wild type GST-tagged HIF-2alpha PAS-B (240 to 350) (unknown origin) expressed in Escherichia coli assessed as inhibition of inter...				J Med Chem 58: 5930-41 (2015) Article DOI: 10.1021/acs.jmedchem.5b00529 BindingDB Entry DOI: 10.7270/Q2G162K1
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50105310 (CHEMBL3597786) Show SMILES Fc1cc(Br)cc(c1)[C@@H]1C[C@H](c2cccc(Br)c2)n2nnnc2N1 |r| Show InChI InChI=1S/C16H12Br2FN5/c17-11-3-1-2-9(4-11)15-8-14(20-16-21-22-23-24(15)16)10-5-12(18)7-13(19)6-10/h1-7,14-15H,8H2,(H,20,21,23)/t14-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of HIF-2alpha in human Hep3B cells assessed as downregulation of EPO mRNA expression by RT-PCR analysis				J Med Chem 58: 5930-41 (2015) Article DOI: 10.1021/acs.jmedchem.5b00529 BindingDB Entry DOI: 10.7270/Q2G162K1
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50105270 (CHEMBL3597692) Show SMILES Ic1cccc(c1)[C@@H]1C[C@H](c2ccccc2)n2nnnc2N1 |r| Show InChI InChI=1S/C16H14IN5/c17-13-8-4-7-12(9-13)14-10-15(11-5-2-1-3-6-11)22-16(18-14)19-20-21-22/h1-9,14-15H,10H2,(H,18,19,21)/t14-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Binding affinity to wild type GST-tagged HIF-2alpha PAS-B (240 to 350) (unknown origin) expressed in Escherichia coli assessed as inhibition of inter...				J Med Chem 58: 5930-41 (2015) Article DOI: 10.1021/acs.jmedchem.5b00529 BindingDB Entry DOI: 10.7270/Q2G162K1
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50105308 (CHEMBL3597784) Show SMILES Fc1cc(Br)cc(c1)[C@@H]1C[C@H](c2ccccc2)n2nnnc2N1 |r| Show InChI InChI=1S/C16H13BrFN5/c17-12-6-11(7-13(18)8-12)14-9-15(10-4-2-1-3-5-10)23-16(19-14)20-21-22-23/h1-8,14-15H,9H2,(H,19,20,22)/t14-,15+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Binding affinity to wild type GST-tagged HIF-2alpha PAS-B S304M mutant (240 to 350) (unknown origin) expressed in Escherichia coli assessed as inhibi...				J Med Chem 58: 5930-41 (2015) Article DOI: 10.1021/acs.jmedchem.5b00529 BindingDB Entry DOI: 10.7270/Q2G162K1
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50105274 (CHEMBL3597696) Show SMILES Clc1ccccc1[C@H]1C[C@H](Nc2nnnn12)c1cccc(Br)c1 |r| Show InChI InChI=1S/C16H13BrClN5/c17-11-5-3-4-10(8-11)14-9-15(12-6-1-2-7-13(12)18)23-16(19-14)20-21-22-23/h1-8,14-15H,9H2,(H,19,20,22)/t14-,15+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.59E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Binding affinity to wild type GST-tagged HIF-2alpha PAS-B S304M mutant (240 to 350) (unknown origin) expressed in Escherichia coli assessed as inhibi...				J Med Chem 58: 5930-41 (2015) Article DOI: 10.1021/acs.jmedchem.5b00529 BindingDB Entry DOI: 10.7270/Q2G162K1
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50105307 (CHEMBL3597783) Show SMILES Fc1ccc(Br)c(F)c1[C@@H]1C[C@@H](Nc2nnnn12)c1cccc(Br)c1 |r| Show InChI InChI=1S/C16H11Br2F2N5/c17-9-3-1-2-8(6-9)12-7-13(25-16(21-12)22-23-24-25)14-11(19)5-4-10(18)15(14)20/h1-6,12-13H,7H2,(H,21,22,24)/t12-,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Binding affinity to wild type GST-tagged HIF-2alpha PAS-B (240 to 350) (unknown origin) expressed in Escherichia coli assessed as inhibition of inter...				J Med Chem 58: 5930-41 (2015) Article DOI: 10.1021/acs.jmedchem.5b00529 BindingDB Entry DOI: 10.7270/Q2G162K1
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50105280 (CHEMBL3597780) Show SMILES Clc1ccc(Br)cc1[C@H]1C[C@H](Nc2nnnn12)c1cccc(Br)c1 |r| Show InChI InChI=1S/C16H12Br2ClN5/c17-10-3-1-2-9(6-10)14-8-15(24-16(20-14)21-22-23-24)12-7-11(18)4-5-13(12)19/h1-7,14-15H,8H2,(H,20,21,23)/t14-,15+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Binding affinity to wild type GST-tagged HIF-2alpha PAS-B S304M mutant (240 to 350) (unknown origin) expressed in Escherichia coli assessed as inhibi...				J Med Chem 58: 5930-41 (2015) Article DOI: 10.1021/acs.jmedchem.5b00529 BindingDB Entry DOI: 10.7270/Q2G162K1
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50105273 (CHEMBL3597695) Show SMILES Brc1cccc(c1)[C@H]1C[C@@H](c2ccccc2Br)n2nnnc2N1 |r| Show InChI InChI=1S/C16H13Br2N5/c17-11-5-3-4-10(8-11)14-9-15(12-6-1-2-7-13(12)18)23-16(19-14)20-21-22-23/h1-8,14-15H,9H2,(H,19,20,22)/t14-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Binding affinity to wild type GST-tagged HIF-2alpha PAS-B (240 to 350) (unknown origin) expressed in Escherichia coli assessed as inhibition of inter...				J Med Chem 58: 5930-41 (2015) Article DOI: 10.1021/acs.jmedchem.5b00529 BindingDB Entry DOI: 10.7270/Q2G162K1
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50105279 (CHEMBL3597779) Show SMILES Brc1cccc(c1)[C@H]1C[C@@H](c2cccc(I)c2)n2nnnc2N1 |r| Show InChI InChI=1S/C16H13BrIN5/c17-12-5-1-3-10(7-12)14-9-15(11-4-2-6-13(18)8-11)23-16(19-14)20-21-22-23/h1-8,14-15H,9H2,(H,19,20,22)/t14-,15+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Binding affinity to wild type GST-tagged HIF-2alpha PAS-B S304M mutant (240 to 350) (unknown origin) expressed in Escherichia coli assessed as inhibi...				J Med Chem 58: 5930-41 (2015) Article DOI: 10.1021/acs.jmedchem.5b00529 BindingDB Entry DOI: 10.7270/Q2G162K1
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50105304 (CHEMBL3597781) Show SMILES Clc1ccc(Br)cc1[C@@H]1C[C@@H](Nc2nnnn12)c1cccc(Br)c1 |r| Show InChI InChI=1S/C16H12Br2ClN5/c17-10-3-1-2-9(6-10)14-8-15(24-16(20-14)21-22-23-24)12-7-11(18)4-5-13(12)19/h1-7,14-15H,8H2,(H,20,21,23)/t14-,15+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Binding affinity to wild type GST-tagged HIF-2alpha PAS-B S304M mutant (240 to 350) (unknown origin) expressed in Escherichia coli assessed as inhibi...				J Med Chem 58: 5930-41 (2015) Article DOI: 10.1021/acs.jmedchem.5b00529 BindingDB Entry DOI: 10.7270/Q2G162K1
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50105278 (CHEMBL3597778) Show SMILES Brc1cccc(c1)[C@@H]1C[C@H](c2cccc(I)c2)n2nnnc2N1 |r| Show InChI InChI=1S/C16H13BrIN5/c17-12-5-1-3-10(7-12)14-9-15(11-4-2-6-13(18)8-11)23-16(19-14)20-21-22-23/h1-8,14-15H,9H2,(H,19,20,22)/t14-,15+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Binding affinity to wild type GST-tagged HIF-2alpha PAS-B S304M mutant (240 to 350) (unknown origin) expressed in Escherichia coli assessed as inhibi...				J Med Chem 58: 5930-41 (2015) Article DOI: 10.1021/acs.jmedchem.5b00529 BindingDB Entry DOI: 10.7270/Q2G162K1
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50105277 (CHEMBL3597699) Show SMILES Brc1cccc(c1)[C@H]1C[C@@H](c2cccc(Br)c2)n2nnnc2N1 |r| Show InChI InChI=1S/C16H13Br2N5/c17-12-5-1-3-10(7-12)14-9-15(11-4-2-6-13(18)8-11)23-16(19-14)20-21-22-23/h1-8,14-15H,9H2,(H,19,20,22)/t14-,15+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Binding affinity to wild type GST-tagged HIF-2alpha PAS-B S304M mutant (240 to 350) (unknown origin) expressed in Escherichia coli assessed as inhibi...				J Med Chem 58: 5930-41 (2015) Article DOI: 10.1021/acs.jmedchem.5b00529 BindingDB Entry DOI: 10.7270/Q2G162K1
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50105276 (CHEMBL3597698) Show SMILES Brc1cccc(c1)[C@@H]1C[C@H](c2cccc(Br)c2)n2nnnc2N1 |r| Show InChI InChI=1S/C16H13Br2N5/c17-12-5-1-3-10(7-12)14-9-15(11-4-2-6-13(18)8-11)23-16(19-14)20-21-22-23/h1-8,14-15H,9H2,(H,19,20,22)/t14-,15+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Binding affinity to wild type GST-tagged HIF-2alpha PAS-B S304M mutant (240 to 350) (unknown origin) expressed in Escherichia coli assessed as inhibi...				J Med Chem 58: 5930-41 (2015) Article DOI: 10.1021/acs.jmedchem.5b00529 BindingDB Entry DOI: 10.7270/Q2G162K1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50105275 (CHEMBL3597697) Show SMILES Clc1ccccc1[C@@H]1C[C@@H](Nc2nnnn12)c1cccc(Br)c1 |r| Show InChI InChI=1S/C16H13BrClN5/c17-11-5-3-4-10(8-11)14-9-15(12-6-1-2-7-13(12)18)23-16(19-14)20-21-22-23/h1-8,14-15H,9H2,(H,19,20,22)/t14-,15+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Binding affinity to wild type GST-tagged HIF-2alpha PAS-B S304M mutant (240 to 350) (unknown origin) expressed in Escherichia coli assessed as inhibi...				J Med Chem 58: 5930-41 (2015) Article DOI: 10.1021/acs.jmedchem.5b00529 BindingDB Entry DOI: 10.7270/Q2G162K1
					More data for this Ligand-Target Pair

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