Compile Data Set for Download or QSAR

Found 372 hits with Last Name = 'tortorella' and Initial = 'md'   

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
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50126049 (4-[(1S,2R)-1-Hydroxycarbamoyl-2-((1S,2R)-2-hydroxy...) Show SMILES CCOC(=O)N1CCC(CC1)[C@@H]([C@@H](Cc1cccc(O)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(=O)NO Show InChI InChI=1S/C28H35N3O7/c1-2-38-28(36)31-12-10-18(11-13-31)24(27(35)30-37)22(15-17-6-5-8-20(32)14-17)26(34)29-25-21-9-4-3-7-19(21)16-23(25)33/h3-9,14,18,22-25,32-33,37H,2,10-13,15-16H2,1H3,(H,29,34)(H,30,35)/t22-,23-,24+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	832	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Affinity for Matrix metalloproteinase-9(MMP-9)				Bioorg Med Chem Lett 13: 1297-300 (2003) BindingDB Entry DOI: 10.7270/Q2930SJ4
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50126054 (4-[(R)-1-Hydroxycarbamoyl-2-((3S,3aR)-2-hydroxy-in...) Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)[C@@H]([C@@H](Cc1cccc(O)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(=O)NO Show InChI InChI=1S/C30H39N3O7/c1-30(2,3)40-29(38)33-13-11-19(12-14-33)25(28(37)32-39)23(16-18-7-6-9-21(34)15-18)27(36)31-26-22-10-5-4-8-20(22)17-24(26)35/h4-10,15,19,23-26,34-35,39H,11-14,16-17H2,1-3H3,(H,31,36)(H,32,37)/t23-,24-,25+,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Affinity for Matrix metalloproteinase-9(MMP-9)				Bioorg Med Chem Lett 13: 1297-300 (2003) BindingDB Entry DOI: 10.7270/Q2930SJ4
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50126047 ((2R,3S)-N*4*-Hydroxy-2-(3-hydroxy-benzyl)-N*1*-((1...) Show SMILES ONC(=O)[C@H]([C@@H](Cc1cccc(O)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C1CN(C1)C(=O)C(F)(F)F Show InChI InChI=1S/C25H26F3N3O6/c26-25(27,28)24(36)31-11-15(12-31)20(23(35)30-37)18(9-13-4-3-6-16(32)8-13)22(34)29-21-17-7-2-1-5-14(17)10-19(21)33/h1-8,15,18-21,32-33,37H,9-12H2,(H,29,34)(H,30,35)/t18-,19-,20+,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.49E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Affinity for Matrix metalloproteinase-9(MMP-9)				Bioorg Med Chem Lett 13: 1297-300 (2003) BindingDB Entry DOI: 10.7270/Q2930SJ4
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50126053 ((2R,3S)-2-(1-Acetyl-piperidin-4-yl)-N*1*-hydroxy-3...) Show SMILES CC(=O)N1CCC(CC1)[C@@H]([C@@H](Cc1cccc(O)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(=O)NO Show InChI InChI=1S/C27H33N3O6/c1-16(31)30-11-9-18(10-12-30)24(27(35)29-36)22(14-17-5-4-7-20(32)13-17)26(34)28-25-21-8-3-2-6-19(21)15-23(25)33/h2-8,13,18,22-25,32-33,36H,9-12,14-15H2,1H3,(H,28,34)(H,29,35)/t22-,23-,24+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.74E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Affinity for Matrix metalloproteinase-9(MMP-9)				Bioorg Med Chem Lett 13: 1297-300 (2003) BindingDB Entry DOI: 10.7270/Q2930SJ4
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50126057 ((2R,3S)-N*4*-Hydroxy-2-(3-hydroxy-benzyl)-N*1*-((1...) Show SMILES CS(=O)(=O)N1CCC(CC1)[C@@H]([C@@H](Cc1cccc(O)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(=O)NO |r| Show InChI InChI=1S/C26H33N3O7S/c1-37(35,36)29-11-9-17(10-12-29)23(26(33)28-34)21(14-16-5-4-7-19(30)13-16)25(32)27-24-20-8-3-2-6-18(20)15-22(24)31/h2-8,13,17,21-24,30-31,34H,9-12,14-15H2,1H3,(H,27,32)(H,28,33)/t21-,22-,23+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Affinity for Matrix metalloproteinase-9(MMP-9)				Bioorg Med Chem Lett 13: 1297-300 (2003) BindingDB Entry DOI: 10.7270/Q2930SJ4
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50126055 (2-Azetidin-3-yl-N*1*-hydroxy-3-((S)-3-hydroxy-benz...) Show SMILES ONC(=O)[C@H]([C@@H](Cc1cccc(O)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C1CNC1 Show InChI InChI=1S/C23H27N3O5/c27-16-6-3-4-13(8-16)9-18(20(23(30)26-31)15-11-24-12-15)22(29)25-21-17-7-2-1-5-14(17)10-19(21)28/h1-8,15,18-21,24,27-28,31H,9-12H2,(H,25,29)(H,26,30)/t18-,19-,20+,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>2.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Affinity for Matrix metalloproteinase-9(MMP-9)				Bioorg Med Chem Lett 13: 1297-300 (2003) BindingDB Entry DOI: 10.7270/Q2930SJ4
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50126051 (CHEMBL26388 | N*4*-Hydroxy-2-((S)-3-hydroxy-benzyl...) Show SMILES CCC(=O)N1CCC(C[C@@H]([C@@H](Cc2cccc(O)c2)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)C(=O)NO)CC1 Show InChI InChI=1S/C29H37N3O6/c1-2-26(35)32-12-10-18(11-13-32)15-24(29(37)31-38)23(16-19-6-5-8-21(33)14-19)28(36)30-27-22-9-4-3-7-20(22)17-25(27)34/h3-9,14,18,23-25,27,33-34,38H,2,10-13,15-17H2,1H3,(H,30,36)(H,31,37)/t23-,24+,25-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>2.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Affinity for Matrix metalloproteinase-9(MMP-9)				Bioorg Med Chem Lett 13: 1297-300 (2003) BindingDB Entry DOI: 10.7270/Q2930SJ4
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50126052 ((2R,3S)-2-(1-Ethyl-piperidin-4-yl)-N*1*-hydroxy-3-...) Show SMILES CCN1CCC(CC1)[C@@H]([C@@H](Cc1cccc(O)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(=O)NO Show InChI InChI=1S/C27H35N3O5/c1-2-30-12-10-18(11-13-30)24(27(34)29-35)22(15-17-6-5-8-20(31)14-17)26(33)28-25-21-9-4-3-7-19(21)16-23(25)32/h3-9,14,18,22-25,31-32,35H,2,10-13,15-16H2,1H3,(H,28,33)(H,29,34)/t22-,23-,24+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>2.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Affinity for Matrix metalloproteinase-9(MMP-9)				Bioorg Med Chem Lett 13: 1297-300 (2003) BindingDB Entry DOI: 10.7270/Q2930SJ4
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50126056 (CHEMBL24054 | N*4*-Hydroxy-2-((S)-3-hydroxy-benzyl...) Show SMILES CN1CCC(CC1)[C@@H]([C@@H](Cc1cccc(O)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(=O)NO Show InChI InChI=1S/C26H33N3O5/c1-29-11-9-17(10-12-29)23(26(33)28-34)21(14-16-5-4-7-19(30)13-16)25(32)27-24-20-8-3-2-6-18(20)15-22(24)31/h2-8,13,17,21-24,30-31,34H,9-12,14-15H2,1H3,(H,27,32)(H,28,33)/t21-,22-,23+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>2.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Affinity for Matrix metalloproteinase-9(MMP-9)				Bioorg Med Chem Lett 13: 1297-300 (2003) BindingDB Entry DOI: 10.7270/Q2930SJ4
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50126050 ((2R,3S)-2-(1-Acetyl-piperidin-4-ylmethyl)-N*1*-hyd...) Show SMILES CC(=O)N1CCC(C[C@@H]([C@@H](Cc2cccc(O)c2)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)C(=O)NO)CC1 Show InChI InChI=1S/C28H35N3O6/c1-17(32)31-11-9-18(10-12-31)14-24(28(36)30-37)23(15-19-5-4-7-21(33)13-19)27(35)29-26-22-8-3-2-6-20(22)16-25(26)34/h2-8,13,18,23-26,33-34,37H,9-12,14-16H2,1H3,(H,29,35)(H,30,36)/t23-,24+,25-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>2.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Affinity for Matrix metalloproteinase-9(MMP-9)				Bioorg Med Chem Lett 13: 1297-300 (2003) BindingDB Entry DOI: 10.7270/Q2930SJ4
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50126048 (4-[1-Carboxy-2-((3S,3aR)-2-hydroxy-indan-1-ylcarba...) Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)[C@@H](C(Cc1cccc(O)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(O)=O Show InChI InChI=1S/C30H38N2O7/c1-30(2,3)39-29(38)32-13-11-19(12-14-32)25(28(36)37)23(16-18-7-6-9-21(33)15-18)27(35)31-26-22-10-5-4-8-20(22)17-24(26)34/h4-10,15,19,23-26,33-34H,11-14,16-17H2,1-3H3,(H,31,35)(H,36,37)/t23?,24-,25+,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>2.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Affinity for Matrix metalloproteinase-9(MMP-9)				Bioorg Med Chem Lett 13: 1297-300 (2003) BindingDB Entry DOI: 10.7270/Q2930SJ4
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50126046 (CHEMBL24763 | N*4*-Hydroxy-2-((S)-3-hydroxy-benzyl...) Show SMILES ONC(=O)[C@H]([C@@H](Cc1cccc(O)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C1CCNCC1 Show InChI InChI=1S/C25H31N3O5/c29-18-6-3-4-15(12-18)13-20(22(25(32)28-33)16-8-10-26-11-9-16)24(31)27-23-19-7-2-1-5-17(19)14-21(23)30/h1-7,12,16,20-23,26,29-30,33H,8-11,13-14H2,(H,27,31)(H,28,32)/t20-,21-,22+,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Affinity for Matrix metalloproteinase-9(MMP-9)				Bioorg Med Chem Lett 13: 1297-300 (2003) BindingDB Entry DOI: 10.7270/Q2930SJ4
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50104963 ((2S,3R)-2-(cyclopropylmethylamino)-N1-hydroxy-N4-(...) Show SMILES ONC(=O)[C@@H](NCC1CC1)[C@@H](Cc1cccc(O)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C24H29N3O5/c28-17-6-3-4-15(10-17)11-19(22(24(31)27-32)25-13-14-8-9-14)23(30)26-21-18-7-2-1-5-16(18)12-20(21)29/h1-7,10,14,19-22,25,28-29,32H,8-9,11-13H2,(H,26,30)(H,27,31)/t19-,20-,21+,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PubMed	4.47E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Affinity for Matrix metalloproteinase-9(MMP-9)				Bioorg Med Chem Lett 13: 1297-300 (2003) BindingDB Entry DOI: 10.7270/Q2930SJ4
					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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institutes of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of EGFR (unknown origin) using tyrosine 4 as substrate by fluorescence analysis				ACS Med Chem Lett 6: 1086-90 (2015) Article DOI: 10.1021/acsmedchemlett.5b00286 BindingDB Entry DOI: 10.7270/Q2ZG6W79
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50499592 (CHEMBL3741490) Show SMILES COCCOc1cc2c(Nc3cccc(c3)C#C)ncnc2cc1OCCO Show InChI InChI=1S/C21H21N3O4/c1-3-15-5-4-6-16(11-15)24-21-17-12-19(28-10-9-26-2)20(27-8-7-25)13-18(17)22-14-23-21/h1,4-6,11-14,25H,7-10H2,2H3,(H,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institutes of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of EGFR (unknown origin) using tyrosine 4 as substrate by fluorescence analysis				ACS Med Chem Lett 6: 1086-90 (2015) Article DOI: 10.1021/acsmedchemlett.5b00286 BindingDB Entry DOI: 10.7270/Q2ZG6W79
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM234547 (US9353089, 304) Show SMILES COc1ccc(cc1)C1(NC(=N)N(Cc2ccccc2C(F)(F)F)C1=O)c1ccc(OC)cc1 Show InChI InChI=1S/C25H22F3N3O3/c1-33-19-11-7-17(8-12-19)24(18-9-13-20(34-2)14-10-18)22(32)31(23(29)30-24)15-16-5-3-4-6-21(16)25(26,27)28/h3-14H,15H2,1-2H3,(H2,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.88	n/a	n/a	n/a	n/a	4.5	25
Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences US Patent					Assay Description Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...				US Patent US9353089 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WP6
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM234542 (US9353089, 276) Show SMILES COc1ccc(cc1)C1(NC(=N)N(CC23CC4CC(CC(C4)C2)C3)C1=O)c1ccc(OC)cc1 |TLB:13:14:17:21.20.19,23:14:21:17.18.19,THB:23:18:21:14.22.15,22:14:17:21.20.19,22:20:17:14.23.15| Show InChI InChI=1S/C28H33N3O3/c1-33-23-7-3-21(4-8-23)28(22-5-9-24(34-2)10-6-22)25(32)31(26(29)30-28)17-27-14-18-11-19(15-27)13-20(12-18)16-27/h3-10,18-20H,11-17H2,1-2H3,(H2,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	4.5	25
Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences US Patent					Assay Description Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...				US Patent US9353089 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WP6
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM234527 (US9353089, 206) Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCN(CC2)C(=O)OC(C)(C)C)C1=O)c1ccc(OC)cc1 Show InChI InChI=1S/C27H34N4O5/c1-26(2,3)36-25(33)30-16-14-20(15-17-30)31-23(32)27(29-24(31)28,18-6-10-21(34-4)11-7-18)19-8-12-22(35-5)13-9-19/h6-13,20H,14-17H2,1-5H3,(H2,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	4.5	25
Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences US Patent					Assay Description Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...				US Patent US9353089 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WP6
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM234565 (US9353089, 311) Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCN(CC2)C(=O)c2ccccc2)C1=O)c1ccc(OC)cc1 Show InChI InChI=1S/C29H30N4O4/c1-36-24-12-8-21(9-13-24)29(22-10-14-25(37-2)15-11-22)27(35)33(28(30)31-29)23-16-18-32(19-17-23)26(34)20-6-4-3-5-7-20/h3-15,23H,16-19H2,1-2H3,(H2,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	4.5	25
Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences US Patent					Assay Description Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...				US Patent US9353089 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WP6
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM234537 (US9353089, 238) Show SMILES N=C1NC(C(=O)N1C1CCCCC1)(c1ccccc1)c1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C27H27N3O2/c28-26-29-27(20-11-4-1-5-12-20,25(31)30(26)22-14-6-2-7-15-22)21-13-10-18-24(19-21)32-23-16-8-3-9-17-23/h1,3-5,8-13,16-19,22H,2,6-7,14-15H2,(H2,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	4.5	25
Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences US Patent					Assay Description Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...				US Patent US9353089 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WP6
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM234534 (US9353089, 220) Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCCCCC2)C1=O)c1ccc(OC)cc1 Show InChI InChI=1S/C24H29N3O3/c1-29-20-13-9-17(10-14-20)24(18-11-15-21(30-2)16-12-18)22(28)27(23(25)26-24)19-7-5-3-4-6-8-19/h9-16,19H,3-8H2,1-2H3,(H2,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.37	n/a	n/a	n/a	n/a	4.5	25
Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences US Patent					Assay Description Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...				US Patent US9353089 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WP6
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM234535 (US9353089, 221) Show SMILES COc1ccc(cc1)C1(NC(=N)N(CC2CCCCC2)C1=O)c1ccc(OC)cc1 Show InChI InChI=1S/C24H29N3O3/c1-29-20-12-8-18(9-13-20)24(19-10-14-21(30-2)15-11-19)22(28)27(23(25)26-24)16-17-6-4-3-5-7-17/h8-15,17H,3-7,16H2,1-2H3,(H2,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.39	n/a	n/a	n/a	n/a	4.5	25
Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences US Patent					Assay Description Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...				US Patent US9353089 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WP6
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM234544 (US9353089, 278) Show SMILES COc1ccc(cc1)C1(NC(=N)N(Cc2c(C)cccc2C)C1=O)c1ccc(OC)cc1 Show InChI InChI=1S/C26H27N3O3/c1-17-6-5-7-18(2)23(17)16-29-24(30)26(28-25(29)27,19-8-12-21(31-3)13-9-19)20-10-14-22(32-4)15-11-20/h5-15H,16H2,1-4H3,(H2,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.76	n/a	n/a	n/a	n/a	4.5	25
Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences US Patent					Assay Description Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...				US Patent US9353089 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WP6
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM234527 (US9353089, 206) Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCN(CC2)C(=O)OC(C)(C)C)C1=O)c1ccc(OC)cc1 Show InChI InChI=1S/C27H34N4O5/c1-26(2,3)36-25(33)30-16-14-20(15-17-30)31-23(32)27(29-24(31)28,18-6-10-21(34-4)11-7-18)19-8-12-22(35-5)13-9-19/h6-13,20H,14-17H2,1-5H3,(H2,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.76	n/a	n/a	n/a	n/a	4.5	25
Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences US Patent					Assay Description Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...				US Patent US9353089 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WP6
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM234536 (US9353089, 228) Show SMILES N=C1NC(C(=O)N1C1CCCCC1)(c1ccccc1)c1cccc(OCc2ccccc2)c1 Show InChI InChI=1S/C28H29N3O2/c29-27-30-28(22-13-6-2-7-14-22,26(32)31(27)24-16-8-3-9-17-24)23-15-10-18-25(19-23)33-20-21-11-4-1-5-12-21/h1-2,4-7,10-15,18-19,24H,3,8-9,16-17,20H2,(H2,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.89	n/a	n/a	n/a	n/a	4.5	25
Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences US Patent					Assay Description Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...				US Patent US9353089 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WP6
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM234546 (US9353089, 303) Show SMILES COc1ccc(cc1)C1(NC(=N)N(Cc2ccccc2C)C1=O)c1ccc(OC)cc1 Show InChI InChI=1S/C25H25N3O3/c1-17-6-4-5-7-18(17)16-28-23(29)25(27-24(28)26,19-8-12-21(30-2)13-9-19)20-10-14-22(31-3)15-11-20/h4-15H,16H2,1-3H3,(H2,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.10	n/a	n/a	n/a	n/a	4.5	25
Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences US Patent					Assay Description Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...				US Patent US9353089 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WP6
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM234497 (US9353089, 117) Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1ccc(OC)cc1 Show InChI InChI=1S/C23H27N3O3/c1-28-19-12-8-16(9-13-19)23(17-10-14-20(29-2)15-11-17)21(27)26(22(24)25-23)18-6-4-3-5-7-18/h8-15,18H,3-7H2,1-2H3,(H2,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.96	n/a	n/a	n/a	n/a	4.5	25
Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences US Patent					Assay Description Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...				US Patent US9353089 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WP6
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM234497 (US9353089, 117) Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1ccc(OC)cc1 Show InChI InChI=1S/C23H27N3O3/c1-28-19-12-8-16(9-13-19)23(17-10-14-20(29-2)15-11-17)21(27)26(22(24)25-23)18-6-4-3-5-7-18/h8-15,18H,3-7H2,1-2H3,(H2,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	4.5	25
Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences US Patent					Assay Description Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...				US Patent US9353089 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WP6
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM234543 (US9353089, 277) Show SMILES COc1ccc(cc1)C1(NC(=N)N(Cc2cccc(C)c2C)C1=O)c1ccc(OC)cc1 Show InChI InChI=1S/C26H27N3O3/c1-17-6-5-7-19(18(17)2)16-29-24(30)26(28-25(29)27,20-8-12-22(31-3)13-9-20)21-10-14-23(32-4)15-11-21/h5-15H,16H2,1-4H3,(H2,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.39	n/a	n/a	n/a	n/a	4.5	25
Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences US Patent					Assay Description Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...				US Patent US9353089 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WP6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50499586 (CHEMBL3741424) Show SMILES COCCOc1cc2c(Nc3cccc(c3)C#C)ncnc2cc1OCCOC(=O)c1ccccc1OC(C)=O Show InChI InChI=1S/C30H27N3O7/c1-4-21-8-7-9-22(16-21)33-29-24-17-27(37-13-12-36-3)28(18-25(24)31-19-32-29)38-14-15-39-30(35)23-10-5-6-11-26(23)40-20(2)34/h1,5-11,16-19H,12-15H2,2-3H3,(H,31,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institutes of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of EGFR (unknown origin) using tyrosine 4 as substrate by fluorescence analysis				ACS Med Chem Lett 6: 1086-90 (2015) Article DOI: 10.1021/acsmedchemlett.5b00286 BindingDB Entry DOI: 10.7270/Q2ZG6W79
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM234539 (US9353089, 252) Show SMILES COc1ccc(cc1)C1(NC(=N)N(CC(C)(C)C)C1=O)c1ccc(OC)cc1 Show InChI InChI=1S/C22H27N3O3/c1-21(2,3)14-25-19(26)22(24-20(25)23,15-6-10-17(27-4)11-7-15)16-8-12-18(28-5)13-9-16/h6-13H,14H2,1-5H3,(H2,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.28	n/a	n/a	n/a	n/a	4.5	25
Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences US Patent					Assay Description Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...				US Patent US9353089 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WP6
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM234529 (US9353089, 210) Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1cccc(c1)-c1ccccn1 Show InChI InChI=1S/C27H28N4O2/c1-33-23-15-13-20(14-16-23)27(21-9-7-8-19(18-21)24-12-5-6-17-29-24)25(32)31(26(28)30-27)22-10-3-2-4-11-22/h5-9,12-18,22H,2-4,10-11H2,1H3,(H2,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.47	n/a	n/a	n/a	n/a	4.5	25
Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences US Patent					Assay Description Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...				US Patent US9353089 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WP6
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM234564 (US9353089, 310) Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCN(CC2)C(C)=O)C1=O)c1ccc(OC)cc1 Show InChI InChI=1S/C24H28N4O4/c1-16(29)27-14-12-19(13-15-27)28-22(30)24(26-23(28)25,17-4-8-20(31-2)9-5-17)18-6-10-21(32-3)11-7-18/h4-11,19H,12-15H2,1-3H3,(H2,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.84	n/a	n/a	n/a	n/a	4.5	25
Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences US Patent					Assay Description Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...				US Patent US9353089 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WP6
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM234508 (US9353089, 155) Show SMILES Clc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H21Cl2N3O/c22-16-10-6-14(7-11-16)21(15-8-12-17(23)13-9-15)19(27)26(20(24)25-21)18-4-2-1-3-5-18/h6-13,18H,1-5H2,(H2,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	4.5	25
Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences US Patent					Assay Description Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...				US Patent US9353089 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WP6
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM234520 (US9353089, 176) Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)c1ccc(OC)cc1 Show InChI InChI=1S/C22H25N3O4/c1-27-18-7-3-15(4-8-18)22(16-5-9-19(28-2)10-6-16)20(26)25(21(23)24-22)17-11-13-29-14-12-17/h3-10,17H,11-14H2,1-2H3,(H2,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.81	n/a	n/a	n/a	n/a	4.5	25
Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences US Patent					Assay Description Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...				US Patent US9353089 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WP6
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM234510 (US9353089, 157) Show SMILES CCOc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1ccc(OCC)cc1 Show InChI InChI=1S/C25H31N3O3/c1-3-30-21-14-10-18(11-15-21)25(19-12-16-22(17-13-19)31-4-2)23(29)28(24(26)27-25)20-8-6-5-7-9-20/h10-17,20H,3-9H2,1-2H3,(H2,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.87	n/a	n/a	n/a	n/a	4.5	25
Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences US Patent					Assay Description Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...				US Patent US9353089 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WP6
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM234517 (US9353089, 171) Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1cccc(c1)-c1cccnc1 Show InChI InChI=1S/C27H28N4O2/c1-33-24-14-12-21(13-15-24)27(22-9-5-7-19(17-22)20-8-6-16-29-18-20)25(32)31(26(28)30-27)23-10-3-2-4-11-23/h5-9,12-18,23H,2-4,10-11H2,1H3,(H2,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.97	n/a	n/a	n/a	n/a	4.5	25
Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences US Patent					Assay Description Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...				US Patent US9353089 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WP6
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM234520 (US9353089, 176) Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)c1ccc(OC)cc1 Show InChI InChI=1S/C22H25N3O4/c1-27-18-7-3-15(4-8-18)22(16-5-9-19(28-2)10-6-16)20(26)25(21(23)24-22)17-11-13-29-14-12-17/h3-10,17H,11-14H2,1-2H3,(H2,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	4.5	25
Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences US Patent					Assay Description Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...				US Patent US9353089 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WP6
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM234517 (US9353089, 171) Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1cccc(c1)-c1cccnc1 Show InChI InChI=1S/C27H28N4O2/c1-33-24-14-12-21(13-15-24)27(22-9-5-7-19(17-22)20-8-6-16-29-18-20)25(32)31(26(28)30-27)23-10-3-2-4-11-23/h5-9,12-18,23H,2-4,10-11H2,1H3,(H2,28,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	4.5	25
Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences US Patent					Assay Description Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...				US Patent US9353089 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WP6
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institutes of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of recombinant human COX-2 preincubated for 15 mins followed by fluorometric substrate/heme addition for 15 mins subsequently incubated wi...				J Med Chem 60: 4135-4146 (2017) Article DOI: 10.1021/acs.jmedchem.6b01484 BindingDB Entry DOI: 10.7270/Q2M32Z7Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Plasmepsin II (Plasmodium falciparum)	BDBM234517 (US9353089, 171) Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1cccc(c1)-c1cccnc1 Show InChI InChI=1S/C27H28N4O2/c1-33-24-14-12-21(13-15-24)27(22-9-5-7-19(17-22)20-8-6-16-29-18-20)25(32)31(26(28)30-27)23-10-3-2-4-11-23/h5-9,12-18,23H,2-4,10-11H2,1H3,(H2,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	4.5	25
Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences US Patent					Assay Description Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...				US Patent US9353089 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WP6
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM234513 (US9353089, 162) Show SMILES COc1ccc(cc1)C1(NC(=N)N(Cc2ccccc2)C1=O)c1ccc(OC)cc1 Show InChI InChI=1S/C24H23N3O3/c1-29-20-12-8-18(9-13-20)24(19-10-14-21(30-2)15-11-19)22(28)27(23(25)26-24)16-17-6-4-3-5-7-17/h3-15H,16H2,1-2H3,(H2,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.30	n/a	n/a	n/a	n/a	4.5	25
Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences US Patent					Assay Description Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...				US Patent US9353089 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WP6
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50266867 (CHEMBL4084676) Show SMILES OC(=O)C1=Cc2cc(cc(Br)c2O[C@@H]1C(F)(F)F)S(F)(F)(F)(F)F |r,t:3| Show InChI InChI=1S/C11H5BrF8O3S/c12-7-3-5(24(16,17,18,19)20)1-4-2-6(10(21)22)9(11(13,14)15)23-8(4)7/h1-3,9H,(H,21,22)/t9-/m0/s1	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	8	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institutes of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of recombinant human COX-2 preincubated for 15 mins followed by fluorometric substrate/heme addition for 15 mins subsequently incubated wi...				J Med Chem 60: 4135-4146 (2017) Article DOI: 10.1021/acs.jmedchem.6b01484 BindingDB Entry DOI: 10.7270/Q2M32Z7Q
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50030827 (CHEMBL3355612) Show SMILES [2H]C([2H])([2H])c1cc2O[C@@H](C(=Cc2c(c1Br)C([2H])([2H])[2H])C(O)=O)C(F)(F)F |r,c:9| Show InChI InChI=1S/C13H10BrF3O3/c1-5-3-9-7(6(2)10(5)14)4-8(12(18)19)11(20-9)13(15,16)17/h3-4,11H,1-2H3,(H,18,19)/t11-/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	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Institutes of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 pre-incubated for 15 mins before fluorometric substrate addition by fluorescence based assay				ACS Med Chem Lett 5: 1162-6 (2014) Article DOI: 10.1021/ml500299q BindingDB Entry DOI: 10.7270/Q23F4R87
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50499595 (CHEMBL3741026) Show SMILES COCCOc1cc2c(Nc3cccc(c3)C#C)ncnc2cc1OCCOC(=O)C(C)c1ccc(CC(C)C)cc1 Show InChI InChI=1S/C34H37N3O5/c1-6-25-8-7-9-28(19-25)37-33-29-20-31(40-15-14-39-5)32(21-30(29)35-22-36-33)41-16-17-42-34(38)24(4)27-12-10-26(11-13-27)18-23(2)3/h1,7-13,19-24H,14-18H2,2-5H3,(H,35,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institutes of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of EGFR (unknown origin) using tyrosine 4 as substrate by fluorescence analysis				ACS Med Chem Lett 6: 1086-90 (2015) Article DOI: 10.1021/acsmedchemlett.5b00286 BindingDB Entry DOI: 10.7270/Q2ZG6W79
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM234567 (US9353089, 305) Show SMILES COc1ccc(cc1)C1(NC(=N)N(Cc2ccccc2C#N)C1=O)c1ccc(OC)cc1 Show InChI InChI=1S/C25H22N4O3/c1-31-21-11-7-19(8-12-21)25(20-9-13-22(32-2)14-10-20)23(30)29(24(27)28-25)16-18-6-4-3-5-17(18)15-26/h3-14H,16H2,1-2H3,(H2,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.30	n/a	n/a	n/a	n/a	4.5	25
Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences US Patent					Assay Description Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...				US Patent US9353089 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WP6
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM234533 (US9353089, 219) Show SMILES COc1ccc(cc1)C1(NC(=N)N(Cc2cccnc2)C1=O)c1ccc(OC)cc1 Show InChI InChI=1S/C23H22N4O3/c1-29-19-9-5-17(6-10-19)23(18-7-11-20(30-2)12-8-18)21(28)27(22(24)26-23)15-16-4-3-13-25-14-16/h3-14H,15H2,1-2H3,(H2,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.62	n/a	n/a	n/a	n/a	4.5	25
Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences US Patent					Assay Description Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...				US Patent US9353089 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WP6
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM234518 (US9353089, 172) Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1cccc(c1)-c1ccncc1 Show InChI InChI=1S/C27H28N4O2/c1-33-24-12-10-21(11-13-24)27(22-7-5-6-20(18-22)19-14-16-29-17-15-19)25(32)31(26(28)30-27)23-8-3-2-4-9-23/h5-7,10-18,23H,2-4,8-9H2,1H3,(H2,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.64	n/a	n/a	n/a	n/a	4.5	25
Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences US Patent					Assay Description Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...				US Patent US9353089 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WP6
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM234507 (US9353089, 154) Show SMILES Brc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1ccc(Br)cc1 Show InChI InChI=1S/C21H21Br2N3O/c22-16-10-6-14(7-11-16)21(15-8-12-17(23)13-9-15)19(27)26(20(24)25-21)18-4-2-1-3-5-18/h6-13,18H,1-5H2,(H2,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.90	n/a	n/a	n/a	n/a	4.5	25
Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences US Patent					Assay Description Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...				US Patent US9353089 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WP6
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50266855 (CHEMBL4074716) Show SMILES OC(=O)C1=Cc2cc(ccc2O[C@@H]1C(F)(F)F)S(F)(F)(F)(F)F |r,t:3| Show InChI InChI=1S/C11H6F8O3S/c12-11(13,14)9-7(10(20)21)4-5-3-6(1-2-8(5)22-9)23(15,16,17,18)19/h1-4,9H,(H,20,21)/t9-/m0/s1	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institutes of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of recombinant human COX-2 preincubated for 15 mins followed by fluorometric substrate/heme addition for 15 mins subsequently incubated wi...				J Med Chem 60: 4135-4146 (2017) Article DOI: 10.1021/acs.jmedchem.6b01484 BindingDB Entry DOI: 10.7270/Q2M32Z7Q
					More data for this Ligand-Target Pair

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