Compile Data Set for Download or QSAR

Found 741 hits with Last Name = 'avery' and Initial = 'm'   

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
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497553 (CHEMBL3359696) Show SMILES ONC(=O)C(NC(=O)c1ccccc1F)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C18H15FN4O3/c19-15-5-2-1-4-14(15)17(24)21-16(18(25)22-26)12-6-8-13(9-7-12)23-11-3-10-20-23/h1-11,16,26H,(H,21,24)(H,22,25)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.00800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497551 (CHEMBL3359700) Show SMILES Nc1ccc(cc1)C(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C18H17N5O3/c19-14-6-2-13(3-7-14)17(24)21-16(18(25)22-26)12-4-8-15(9-5-12)23-11-1-10-20-23/h1-11,16,26H,19H2,(H,21,24)(H,22,25)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.0110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497552 (CHEMBL3359698) Show SMILES ONC(=O)C(NC(=O)c1ccc(F)cc1)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C18H15FN4O3/c19-14-6-2-13(3-7-14)17(24)21-16(18(25)22-26)12-4-8-15(9-5-12)23-11-1-10-20-23/h1-11,16,26H,(H,21,24)(H,22,25)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497556 (CHEMBL3359699) Show SMILES Nc1cccc(c1)C(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C18H17N5O3/c19-14-4-1-3-13(11-14)17(24)21-16(18(25)22-26)12-5-7-15(8-6-12)23-10-2-9-20-23/h1-11,16,26H,19H2,(H,21,24)(H,22,25)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.0140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497548 (CHEMBL3359691) Show SMILES CCC(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C14H16N4O3/c1-2-12(19)16-13(14(20)17-21)10-4-6-11(7-5-10)18-9-3-8-15-18/h3-9,13,21H,2H2,1H3,(H,16,19)(H,17,20)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497549 (CHEMBL3359690) Show SMILES CC(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C13H14N4O3/c1-9(18)15-12(13(19)16-20)10-3-5-11(6-4-10)17-8-2-7-14-17/h2-8,12,20H,1H3,(H,15,18)(H,16,19)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497543 (CHEMBL3359693) Show SMILES CC(C)(C)C(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C16H20N4O3/c1-16(2,3)15(22)18-13(14(21)19-23)11-5-7-12(8-6-11)20-10-4-9-17-20/h4-10,13,23H,1-3H3,(H,18,22)(H,19,21)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	0.0280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497544 (CHEMBL3359688) Show SMILES CC(C)(C)OC(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C16H20N4O4/c1-16(2,3)24-15(22)18-13(14(21)19-23)11-5-7-12(8-6-11)20-10-4-9-17-20/h4-10,13,23H,1-3H3,(H,18,22)(H,19,21)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497545 (CHEMBL3359697) Show SMILES ONC(=O)C(NC(=O)c1cccc(F)c1)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C18H15FN4O3/c19-14-4-1-3-13(11-14)17(24)21-16(18(25)22-26)12-5-7-15(8-6-12)23-10-2-9-20-23/h1-11,16,26H,(H,21,24)(H,22,25)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497547 (CHEMBL3359694) Show SMILES CC(C)(C)NC(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C16H21N5O3/c1-16(2,3)19-15(23)18-13(14(22)20-24)11-5-7-12(8-6-11)21-10-4-9-17-21/h4-10,13,24H,1-3H3,(H,20,22)(H2,18,19,23)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497557 (CHEMBL3359692) Show SMILES CC(C)C(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C15H18N4O3/c1-10(2)14(20)17-13(15(21)18-22)11-4-6-12(7-5-11)19-9-3-8-16-19/h3-10,13,22H,1-2H3,(H,17,20)(H,18,21)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50550643 (CHEMBL4749207) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(O)cc1)B(O)O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human 20S constitutive proteasome beta 5 subunit assessed as equilibrium constant using fluorogenic peptide Ac-WLA-AMC as substra...				Citation and Details Article DOI: 10.1021/acs.jmedchem.8b01161 BindingDB Entry DOI: 10.7270/Q2K077W3
					More data for this Ligand-Target Pair
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497546 (CHEMBL3359695) Show SMILES ONC(=O)C(NC(=O)c1ccccc1)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C18H16N4O3/c23-17(14-5-2-1-3-6-14)20-16(18(24)21-25)13-7-9-15(10-8-13)22-12-4-11-19-22/h1-12,16,25H,(H,20,23)(H,21,24)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.154	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A (RAT)	BDBM50043280 (4'-((1,4'-dimethyl-2'-propyl(2,6'-bi-1H-benzimidaz...) Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1nc2ccccc2n1C Show InChI InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane				J Med Chem 53: 1076-85 (2010) Article DOI: 10.1021/jm901272d BindingDB Entry DOI: 10.7270/Q22V2H2Q
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM420298 (CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO Show InChI InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PDB UniChem		0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The respective human coronavirus Mpro in assay buffer (20 mM Tris-HCl, pH 7.3, 100 mM NaCl, 1 mM EDTA, 5 mM TCEP) and 0.1% BSA was added to assay-rea...				Science 374: 1-13 (2021) BindingDB Entry DOI: 10.7270/Q23T9MCM
					More data for this Ligand-Target Pair
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50497543 (CHEMBL3359693) Show SMILES CC(C)(C)C(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C16H20N4O3/c1-16(2,3)15(22)18-13(14(21)19-23)11-5-7-12(8-6-11)20-10-4-9-17-20/h4-10,13,23H,1-3H3,(H,18,22)(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50497544 (CHEMBL3359688) Show SMILES CC(C)(C)OC(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C16H20N4O4/c1-16(2,3)24-15(22)18-13(14(21)19-23)11-5-7-12(8-6-11)20-10-4-9-17-20/h4-10,13,23H,1-3H3,(H,18,22)(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50497553 (CHEMBL3359696) Show SMILES ONC(=O)C(NC(=O)c1ccccc1F)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C18H15FN4O3/c19-15-5-2-1-4-14(15)17(24)21-16(18(25)22-26)12-6-8-13(9-7-12)23-11-3-10-20-23/h1-11,16,26H,(H,21,24)(H,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM496902 (CVD-0018409 | PF-07321332 | US11351149, Example 13...) Show SMILES CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C2(C)C Show InChI InChI=1S/C23H32F3N5O4/c1-21(2,3)16(30-20(35)23(24,25)26)19(34)31-10-13-14(22(13,4)5)15(31)18(33)29-12(9-27)8-11-6-7-28-17(11)32/h11-16H,6-8,10H2,1-5H3,(H,28,32)(H,29,33)(H,30,35)/t11-,12-,13-,14-,15-,16+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem		3.11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The respective human coronavirus Mpro in assay buffer (20 mM Tris-HCl, pH 7.3, 100 mM NaCl, 1 mM EDTA, 5 mM TCEP) and 0.1% BSA was added to assay-rea...				Science 374: 1-13 (2021) BindingDB Entry DOI: 10.7270/Q23T9MCM
					More data for this Ligand-Target Pair
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50497545 (CHEMBL3359697) Show SMILES ONC(=O)C(NC(=O)c1cccc(F)c1)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C18H15FN4O3/c19-14-4-1-3-13(11-14)17(24)21-16(18(25)22-26)12-5-7-15(8-6-12)23-10-2-9-20-23/h1-11,16,26H,(H,21,24)(H,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50497556 (CHEMBL3359699) Show SMILES Nc1cccc(c1)C(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C18H17N5O3/c19-14-4-1-3-13(11-14)17(24)21-16(18(25)22-26)12-5-7-15(8-6-12)23-10-2-9-20-23/h1-11,16,26H,19H2,(H,21,24)(H,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50497551 (CHEMBL3359700) Show SMILES Nc1ccc(cc1)C(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C18H17N5O3/c19-14-6-2-13(3-7-14)17(24)21-16(18(25)22-26)12-4-8-15(9-5-12)23-11-1-10-20-23/h1-11,16,26H,19H2,(H,21,24)(H,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM496900 (science.abl4784, 4) Show SMILES CC(C)[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H]2[C@H]([C@@H]1C(=O)N[C@H](C[C@H]1CCNC1=O)C(=O)c1nc3ccccc3s1)C2(C)C Show InChI InChI=1S/C28H37N5O6S2/c1-14(2)21(32-41(5,38)39)27(37)33-13-16-20(28(16,3)4)22(33)25(36)30-18(12-15-10-11-29-24(15)35)23(34)26-31-17-8-6-7-9-19(17)40-26/h6-9,14-16,18,20-22,32H,10-13H2,1-5H3,(H,29,35)(H,30,36)/t15-,16-,18-,20-,21+,22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		7.93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The respective human coronavirus Mpro in assay buffer (20 mM Tris-HCl, pH 7.3, 100 mM NaCl, 1 mM EDTA, 5 mM TCEP) and 0.1% BSA was added to assay-rea...				Science 374: 1-13 (2021) BindingDB Entry DOI: 10.7270/Q23T9MCM
					More data for this Ligand-Target Pair
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50497552 (CHEMBL3359698) Show SMILES ONC(=O)C(NC(=O)c1ccc(F)cc1)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C18H15FN4O3/c19-14-6-2-13(3-7-14)17(24)21-16(18(25)22-26)12-4-8-15(9-5-12)23-11-1-10-20-23/h1-11,16,26H,(H,21,24)(H,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50497557 (CHEMBL3359692) Show SMILES CC(C)C(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C15H18N4O3/c1-10(2)14(20)17-13(15(21)18-22)11-4-6-12(7-5-11)19-9-3-8-16-19/h3-10,13,22H,1-2H3,(H,17,20)(H,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM496901 (science.abl4784, 5) Show SMILES CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@@H]2[C@H]([C@@H]1C(=O)N[C@H](C[C@H]1CCNC1=O)C(=O)c1nc3ccccc3s1)C2(C)C Show InChI InChI=1S/C29H34F3N5O5S/c1-13(2)20(36-27(42)29(30,31)32)26(41)37-12-15-19(28(15,3)4)21(37)24(40)34-17(11-14-9-10-33-23(14)39)22(38)25-35-16-7-5-6-8-18(16)43-25/h5-8,13-15,17,19-21H,9-12H2,1-4H3,(H,33,39)(H,34,40)(H,36,42)/t14-,15-,17-,19-,20+,21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The respective human coronavirus Mpro in assay buffer (20 mM Tris-HCl, pH 7.3, 100 mM NaCl, 1 mM EDTA, 5 mM TCEP) and 0.1% BSA was added to assay-rea...				Science 374: 1-13 (2021) BindingDB Entry DOI: 10.7270/Q23T9MCM
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A (RAT)	BDBM50303975 (3'-(4-(2-(1H-Tetrazol-5-yl)ethyl)benzyl)-1,7'-dime...) Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(CCc2nnn[nH]2)cc1)-c1nc2ccccc2n1C Show InChI InChI=1S/C29H30N8/c1-4-7-27-31-28-19(2)16-22(29-30-23-8-5-6-9-24(23)36(29)3)17-25(28)37(27)18-21-12-10-20(11-13-21)14-15-26-32-34-35-33-26/h5-6,8-13,16-17H,4,7,14-15,18H2,1-3H3,(H,32,33,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane				J Med Chem 53: 1076-85 (2010) Article DOI: 10.1021/jm901272d BindingDB Entry DOI: 10.7270/Q22V2H2Q
					More data for this Ligand-Target Pair
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50497547 (CHEMBL3359694) Show SMILES CC(C)(C)NC(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C16H21N5O3/c1-16(2,3)19-15(23)18-13(14(22)20-24)11-5-7-12(8-6-11)21-10-4-9-17-21/h4-10,13,24H,1-3H3,(H,20,22)(H2,18,19,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50497546 (CHEMBL3359695) Show SMILES ONC(=O)C(NC(=O)c1ccccc1)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C18H16N4O3/c23-17(14-5-2-1-3-6-14)20-16(18(24)21-25)13-7-9-15(10-8-13)22-12-4-11-19-22/h1-12,16,25H,(H,20,23)(H,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM496896 (US11312704, Compound 101 | US11351149, Example 49 ...) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N Show InChI InChI=1S/C23H29N5O4/c1-13(2)9-18(22(30)26-15(12-24)10-14-7-8-25-21(14)29)28-23(31)19-11-16-17(27-19)5-4-6-20(16)32-3/h4-6,11,13-15,18,27H,7-10H2,1-3H3,(H,25,29)(H,26,30)(H,28,31)/t14-,15-,18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The respective human coronavirus Mpro in assay buffer (20 mM Tris-HCl, pH 7.3, 100 mM NaCl, 1 mM EDTA, 5 mM TCEP) and 0.1% BSA was added to assay-rea...				Science 374: 1-13 (2021) BindingDB Entry DOI: 10.7270/Q23T9MCM
					More data for this Ligand-Target Pair
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50497548 (CHEMBL3359691) Show SMILES CCC(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C14H16N4O3/c1-2-12(19)16-13(14(20)17-21)10-4-6-11(7-5-10)18-9-3-8-15-18/h3-9,13,21H,2H2,1H3,(H,16,19)(H,17,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50497554 (CHEMBL3359689) Show SMILES Cl.NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C11H12N4O2.ClH/c12-10(11(16)14-17)8-2-4-9(5-3-8)15-7-1-6-13-15;/h1-7,10,17H,12H2,(H,14,16);1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497554 (CHEMBL3359689) Show SMILES Cl.NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C11H12N4O2.ClH/c12-10(11(16)14-17)8-2-4-9(5-3-8)15-7-1-6-13-15;/h1-7,10,17H,12H2,(H,14,16);1H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50497549 (CHEMBL3359690) Show SMILES CC(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C13H14N4O3/c1-9(18)15-12(13(19)16-20)10-3-5-11(6-4-10)17-8-2-7-14-17/h2-8,12,20H,1H3,(H,15,18)(H,16,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	113	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50504220 (CHEMBL4454497) Show SMILES Nc1nc2n(CC[S+]([O-])CCP([O-])([O-])=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C9H14N5O5PS.2Na/c10-9-12-7-6(8(15)13-9)11-5-14(7)1-3-21(19)4-2-20(16,17)18;;/h5H,1-4H2,(H2,16,17,18)(H3,10,12,13,15);;/q;2*+1/p-2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human HGPRT using Prib-PP as substrate by Hanes-plot based method				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111667 BindingDB Entry DOI: 10.7270/Q2JS9TPT
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM496897 (science.abl4784, 3) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc3ccccc3s1)C2(C)C Show InChI InChI=1S/C32H33N5O5S/c1-32(2)18-15-37(31(41)22-14-17-19(34-22)8-6-9-23(17)42-3)26(25(18)32)29(40)35-21(13-16-11-12-33-28(16)39)27(38)30-36-20-7-4-5-10-24(20)43-30/h4-10,14,16,18,21,25-26,34H,11-13,15H2,1-3H3,(H,33,39)(H,35,40)/t16-,18-,21-,25-,26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The respective human coronavirus Mpro in assay buffer (20 mM Tris-HCl, pH 7.3, 100 mM NaCl, 1 mM EDTA, 5 mM TCEP) and 0.1% BSA was added to assay-rea...				Science 374: 1-13 (2021) BindingDB Entry DOI: 10.7270/Q23T9MCM
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50518449 (CHEMBL4435950) Show SMILES CC(C)(C)CC(=O)NC(C(=O)NO)c1ccc(cc1)-c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C20H21F3N2O3/c1-20(2,3)10-16(26)24-18(19(27)25-28)12-6-4-11(5-7-12)13-8-14(21)17(23)15(22)9-13/h4-9,18,28H,10H2,1-3H3,(H,24,26)(H,25,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of human APN expressed in HEK293 cells preincubated for 20 mins followed by L-leucine-7-amido-4-methylcoumarin addition by fluorescence as...				J Med Chem 62: 622-640 (2019) Article DOI: 10.1021/acs.jmedchem.8b01310 BindingDB Entry DOI: 10.7270/Q2PK0KJW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50539742 (CHEMBL4642292) Show SMILES Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12 Show InChI InChI=1S/C15H15BrN2/c1-9-14-12(6-7-17-9)11-5-4-10(16)8-13(11)18-15(14,2)3/h4-8,18H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Binding affinity to 5HT2B receptor (unknown origin)				J Nat Prod 83: 1092-1098 (2020) Article DOI: 10.1021/acs.jnatprod.9b01107 BindingDB Entry DOI: 10.7270/Q2KS6W2R
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50504218 (CHEMBL4437088) Show SMILES Nc1nc2n(CCSCCP([O-])([O-])=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C9H14N5O4PS/c10-9-12-7-6(8(15)13-9)11-5-14(7)1-3-20-4-2-19(16,17)18/h5H,1-4H2,(H2,16,17,18)(H3,10,12,13,15)/p-2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human HGPRT using Prib-PP as substrate by Hanes-plot based method				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111667 BindingDB Entry DOI: 10.7270/Q2JS9TPT
					More data for this Ligand-Target Pair
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497555 (CHEMBL3359686) Show SMILES CC(C)(C)OC(=O)NC(C(O)=O)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C16H19N3O4/c1-16(2,3)23-15(22)18-13(14(20)21)11-5-7-12(8-6-11)19-10-4-9-17-19/h4-10,13H,1-3H3,(H,18,22)(H,20,21)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	464	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
Proteasome subunit beta type-2 (Homo sapiens (Human))	BDBM50550643 (CHEMBL4749207) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(O)cc1)B(O)O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	487	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human 20S constitutive proteasome beta 2 subunit assessed as equilibrium constant using fluorogenic peptide Ac-WLR-AMC as substra...				Citation and Details Article DOI: 10.1021/acs.jmedchem.8b01161 BindingDB Entry DOI: 10.7270/Q2K077W3
					More data for this Ligand-Target Pair
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50497555 (CHEMBL3359686) Show SMILES CC(C)(C)OC(=O)NC(C(O)=O)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C16H19N3O4/c1-16(2,3)23-15(22)18-13(14(20)21)11-5-7-12(8-6-11)19-10-4-9-17-19/h4-10,13H,1-3H3,(H,18,22)(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50497550 (CHEMBL3359687) Show SMILES Cl.NC(C(O)=O)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C11H11N3O2.ClH/c12-10(11(15)16)8-2-4-9(5-3-8)14-7-1-6-13-14;/h1-7,10H,12H2,(H,15,16);1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497550 (CHEMBL3359687) Show SMILES Cl.NC(C(O)=O)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C11H11N3O2.ClH/c12-10(11(15)16)8-2-4-9(5-3-8)14-7-1-6-13-14;/h1-7,10H,12H2,(H,15,16);1H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50539742 (CHEMBL4642292) Show SMILES Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12 Show InChI InChI=1S/C15H15BrN2/c1-9-14-12(6-7-17-9)11-5-4-10(16)8-13(11)18-15(14,2)3/h4-8,18H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Binding affinity to sigma1 receptor (unknown origin)				J Nat Prod 83: 1092-1098 (2020) Article DOI: 10.1021/acs.jnatprod.9b01107 BindingDB Entry DOI: 10.7270/Q2KS6W2R
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50504225 (CHEMBL4546549) Show SMILES Nc1nc2n(CCCSCP([O-])([O-])=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C9H14N5O4PS/c10-9-12-7-6(8(15)13-9)11-4-14(7)2-1-3-20-5-19(16,17)18/h4H,1-3,5H2,(H2,16,17,18)(H3,10,12,13,15)/p-2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human HGPRT using Prib-PP as substrate by Hanes-plot based method				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111667 BindingDB Entry DOI: 10.7270/Q2JS9TPT
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A (RAT)	BDBM50303976 (3'-(2-(4-(2-(1H-Tetrazol-5-yl)ethyl)phenoxy)ethyl)...) Show SMILES CCCc1nc2c(C)cc(cc2n1CCOc1ccc(CCc2nnn[nH]2)cc1)-c1nc2ccccc2n1C Show InChI InChI=1S/C30H32N8O/c1-4-7-28-32-29-20(2)18-22(30-31-24-8-5-6-9-25(24)37(30)3)19-26(29)38(28)16-17-39-23-13-10-21(11-14-23)12-15-27-33-35-36-34-27/h5-6,8-11,13-14,18-19H,4,7,12,15-17H2,1-3H3,(H,33,34,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane				J Med Chem 53: 1076-85 (2010) Article DOI: 10.1021/jm901272d BindingDB Entry DOI: 10.7270/Q22V2H2Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A (RAT)	BDBM50303977 (3-(4-(2-(1,7'-Dimethyl-2'-propyl-1H,3'H-2,5'-biben...) Show SMILES CCCc1nc2c(C)cc(cc2n1CCOc1ccc(CC(C)(Oc2ccccc2)C(O)=O)cc1)-c1nc2ccccc2n1C Show InChI InChI=1S/C37H38N4O4/c1-5-11-33-39-34-25(2)22-27(35-38-30-14-9-10-15-31(30)40(35)4)23-32(34)41(33)20-21-44-28-18-16-26(17-19-28)24-37(3,36(42)43)45-29-12-7-6-8-13-29/h6-10,12-19,22-23H,5,11,20-21,24H2,1-4H3,(H,42,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane				J Med Chem 53: 1076-85 (2010) Article DOI: 10.1021/jm901272d BindingDB Entry DOI: 10.7270/Q22V2H2Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A (RAT)	BDBM50303979 (CHEMBL571763 | Ethyl 3-(4-(2-(1,7'-Dimethyl-2'-pro...) Show SMILES CCCc1nc2c(C)cc(cc2n1CCOc1ccc(CC(C)(Oc2ccccc2)C(=O)OCC)cc1)-c1nc2ccccc2n1C Show InChI InChI=1S/C39H42N4O4/c1-6-13-35-41-36-27(3)24-29(37-40-32-16-11-12-17-33(32)42(37)5)25-34(36)43(35)22-23-46-30-20-18-28(19-21-30)26-39(4,38(44)45-7-2)47-31-14-9-8-10-15-31/h8-12,14-21,24-25H,6-7,13,22-23,26H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.53E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane				J Med Chem 53: 1076-85 (2010) Article DOI: 10.1021/jm901272d BindingDB Entry DOI: 10.7270/Q22V2H2Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A (RAT)	BDBM50303978 (1-(4-(2-(1H-tetrazol-5-yl)ethyl)benzyl)-4-methyl-2...) Show SMILES CCCc1nc2c(C)cccc2n1Cc1ccc(CCc2nnn[nH]2)cc1 Show InChI InChI=1S/C21H24N6/c1-3-5-20-22-21-15(2)6-4-7-18(21)27(20)14-17-10-8-16(9-11-17)12-13-19-23-25-26-24-19/h4,6-11H,3,5,12-14H2,1-2H3,(H,23,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.84E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane				J Med Chem 53: 1076-85 (2010) Article DOI: 10.1021/jm901272d BindingDB Entry DOI: 10.7270/Q22V2H2Q
					More data for this Ligand-Target Pair

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