Compile Data Set for Download or QSAR

Found 190 hits with Last Name = 'lieb' and Initial = 's'   

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
Coagulation factor X (Homo sapiens (Human))	BDBM7840 (RIVAROXABAN | US8822458, 44 | US8822458, 97) Show SMILES Clc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r| Show InChI InChI=1S/C19H18ClN3O5S/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis R&D Curated by ChEMBL					Assay Description Inhibition of factor-10a (unknown origin)				J Med Chem 56: 9441-56 (2014) Article DOI: 10.1021/jm4005835 BindingDB Entry DOI: 10.7270/Q20K2B0C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM50443853 (CHEMBL3091519 | US20230391761, Reference 1) Show SMILES CN1CCN(CC1)C(=O)[C@H](CNC(=O)c1ccc(Cl)s1)NS(=O)(=O)c1cccc(N2CCCC2=O)c1C |r| Show InChI InChI=1S/C24H30ClN5O5S2/c1-16-18(30-10-4-7-22(30)31)5-3-6-20(16)37(34,35)27-17(24(33)29-13-11-28(2)12-14-29)15-26-23(32)19-8-9-21(25)36-19/h3,5-6,8-9,17,27H,4,7,10-15H2,1-2H3,(H,26,32)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis R&D Curated by ChEMBL					Assay Description Inhibition of human coagulation factor 10a using S-2765 as substrate measured up to 20 mins by chromogenic assay				J Med Chem 56: 9441-56 (2014) Article DOI: 10.1021/jm4005835 BindingDB Entry DOI: 10.7270/Q20K2B0C
					More data for this Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial (Homo sapiens (Human))	BDBM50255730 (CHEMBL4065067) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)CC(SCCc1ccccn1)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r| Show InChI InChI=1S/C58H81N11O15S/c1-33(2)28-42(67-57(82)50(35(5)6)69-47(73)31-62-52(77)37-14-8-7-9-15-37)56(81)64-40(17-11-13-26-61-45(71)30-44(58(83)84)85-27-24-38-16-10-12-25-60-38)54(79)65-41(22-23-48(74)75)55(80)66-43(29-36-18-20-39(70)21-19-36)53(78)63-32-46(72)68-49(34(3)4)51(59)76/h7-10,12,14-16,18-21,25,33-35,40-44,49-50,70H,11,13,17,22-24,26-32H2,1-6H3,(H2,59,76)(H,61,71)(H,62,77)(H,63,78)(H,64,81)(H,65,79)(H,66,80)(H,67,82)(H,68,72)(H,69,73)(H,74,75)(H,83,84)/t40-,41-,42-,43-,44?,49-,50-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged SIRT5 (34 to 269 residues) expressed in Escherichia coli Transetta(DE3) cells using Benzyl Lys(...				J Med Chem 61: 2460-2471 (2018) Article DOI: 10.1021/acs.jmedchem.7b01648 BindingDB Entry DOI: 10.7270/Q2WW7M4J
					More data for this Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial (Homo sapiens (Human))	BDBM50255693 (CHEMBL4073655) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@H](SCCc1c(C)noc1C)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r| Show InChI InChI=1S/C58H83N11O16S/c1-31(2)26-42(66-57(82)50(33(5)6)68-47(73)29-61-52(77)37-14-10-9-11-15-37)56(81)63-40(16-12-13-24-60-45(71)28-44(58(83)84)86-25-23-39-34(7)69-85-35(39)8)54(79)64-41(21-22-48(74)75)55(80)65-43(27-36-17-19-38(70)20-18-36)53(78)62-30-46(72)67-49(32(3)4)51(59)76/h9-11,14-15,17-20,31-33,40-44,49-50,70H,12-13,16,21-30H2,1-8H3,(H2,59,76)(H,60,71)(H,61,77)(H,62,78)(H,63,81)(H,64,79)(H,65,80)(H,66,82)(H,67,72)(H,68,73)(H,74,75)(H,83,84)/t40-,41-,42-,43-,44-,49-,50-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged SIRT5 (34 to 269 residues) expressed in Escherichia coli Transetta(DE3) cells using Benzyl Lys(...				J Med Chem 61: 2460-2471 (2018) Article DOI: 10.1021/acs.jmedchem.7b01648 BindingDB Entry DOI: 10.7270/Q2WW7M4J
					More data for this Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial (Homo sapiens (Human))	BDBM50255691 (CHEMBL4092751) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)CC(SCCc1ccncc1)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r| Show InChI InChI=1S/C58H81N11O15S/c1-33(2)28-42(67-57(82)50(35(5)6)69-47(73)31-62-52(77)38-12-8-7-9-13-38)56(81)64-40(14-10-11-24-61-45(71)30-44(58(83)84)85-27-23-36-21-25-60-26-22-36)54(79)65-41(19-20-48(74)75)55(80)66-43(29-37-15-17-39(70)18-16-37)53(78)63-32-46(72)68-49(34(3)4)51(59)76/h7-9,12-13,15-18,21-22,25-26,33-35,40-44,49-50,70H,10-11,14,19-20,23-24,27-32H2,1-6H3,(H2,59,76)(H,61,71)(H,62,77)(H,63,78)(H,64,81)(H,65,79)(H,66,80)(H,67,82)(H,68,72)(H,69,73)(H,74,75)(H,83,84)/t40-,41-,42-,43-,44?,49-,50-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged SIRT5 (34 to 269 residues) expressed in Escherichia coli Transetta(DE3) cells using Benzyl Lys(...				J Med Chem 61: 2460-2471 (2018) Article DOI: 10.1021/acs.jmedchem.7b01648 BindingDB Entry DOI: 10.7270/Q2WW7M4J
					More data for this Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial (Homo sapiens (Human))	BDBM50255690 (CHEMBL4068735) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)CC(SCCc1cnccn1)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r| Show InChI InChI=1S/C57H80N12O15S/c1-32(2)26-41(67-56(82)49(34(5)6)69-46(73)30-62-51(77)36-12-8-7-9-13-36)55(81)64-39(14-10-11-22-61-44(71)28-43(57(83)84)85-25-21-37-29-59-23-24-60-37)53(79)65-40(19-20-47(74)75)54(80)66-42(27-35-15-17-38(70)18-16-35)52(78)63-31-45(72)68-48(33(3)4)50(58)76/h7-9,12-13,15-18,23-24,29,32-34,39-43,48-49,70H,10-11,14,19-22,25-28,30-31H2,1-6H3,(H2,58,76)(H,61,71)(H,62,77)(H,63,78)(H,64,81)(H,65,79)(H,66,80)(H,67,82)(H,68,72)(H,69,73)(H,74,75)(H,83,84)/t39-,40-,41-,42-,43?,48-,49-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal Strep2-tagged SIRT5 expressed in Escherichia coli BL21 (DE3) using Abz-GVLK(glutaryl)AY(NO2)GV-NH2 as subs...				J Med Chem 61: 2460-2471 (2018) Article DOI: 10.1021/acs.jmedchem.7b01648 BindingDB Entry DOI: 10.7270/Q2WW7M4J
					More data for this Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial (Homo sapiens (Human))	BDBM50255692 (CHEMBL4100475) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@@H](SCCc1c(C)noc1C)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r| Show InChI InChI=1S/C58H83N11O16S/c1-31(2)26-42(66-57(82)50(33(5)6)68-47(73)29-61-52(77)37-14-10-9-11-15-37)56(81)63-40(16-12-13-24-60-45(71)28-44(58(83)84)86-25-23-39-34(7)69-85-35(39)8)54(79)64-41(21-22-48(74)75)55(80)65-43(27-36-17-19-38(70)20-18-36)53(78)62-30-46(72)67-49(32(3)4)51(59)76/h9-11,14-15,17-20,31-33,40-44,49-50,70H,12-13,16,21-30H2,1-8H3,(H2,59,76)(H,60,71)(H,61,77)(H,62,78)(H,63,81)(H,64,79)(H,65,80)(H,66,82)(H,67,72)(H,68,73)(H,74,75)(H,83,84)/t40-,41-,42-,43-,44+,49-,50-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal Strep2-tagged SIRT5 expressed in Escherichia coli BL21 (DE3) using Abz-GVLK(glutaryl)AY(NO2)GV-NH2 as subs...				J Med Chem 61: 2460-2471 (2018) Article DOI: 10.1021/acs.jmedchem.7b01648 BindingDB Entry DOI: 10.7270/Q2WW7M4J
					More data for this Ligand-Target Pair
Genome polyprotein [1424-1463]/[1502-1685] (West Nile virus (WNV))	BDBM24732 ((2S)-6-amino-N-[(1S)-5-amino-1-{[(2S)-5-carbamimid...) Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-c1ccc(cc1)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C32H48N8O4/c33-18-6-4-12-27(39-29(42)21-23-14-16-25(17-15-23)24-9-2-1-3-10-24)31(44)40-28(13-5-7-19-34)30(43)38-26(22-41)11-8-20-37-32(35)36/h1-3,9-10,14-17,22,26-28H,4-8,11-13,18-21,33-34H2,(H,38,43)(H,39,42)(H,40,44)(H4,35,36,37)/t26-,27-,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6	-48.8	32	n/a	n/a	n/a	n/a	9.5	37
University of Queensland					Assay Description Inhibition of WNV protease activity was measured using recombinant WNV protease, which first incubated with inhibitor in 96-well plates. Catalysis wa...				J Med Chem 51: 5714-21 (2008) Article DOI: 10.1021/jm800503y BindingDB Entry DOI: 10.7270/Q27P8WPF
					More data for this Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial (Homo sapiens (Human))	BDBM50255710 (CHEMBL4091258) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@H](SCc1cccc2ccccc12)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r| Show InChI InChI=1S/C62H82N10O15S/c1-35(2)29-46(70-61(85)54(37(5)6)72-51(76)32-65-56(80)40-16-8-7-9-17-40)60(84)67-44(21-12-13-28-64-49(74)31-48(62(86)87)88-34-41-19-14-18-39-15-10-11-20-43(39)41)58(82)68-45(26-27-52(77)78)59(83)69-47(30-38-22-24-42(73)25-23-38)57(81)66-33-50(75)71-53(36(3)4)55(63)79/h7-11,14-20,22-25,35-37,44-48,53-54,73H,12-13,21,26-34H2,1-6H3,(H2,63,79)(H,64,74)(H,65,80)(H,66,81)(H,67,84)(H,68,82)(H,69,83)(H,70,85)(H,71,75)(H,72,76)(H,77,78)(H,86,87)/t44-,45-,46-,47-,48-,53-,54-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal Strep2-tagged SIRT5 expressed in Escherichia coli BL21 (DE3) using Abz-GVLK(glutaryl)AY(NO2)GV-NH2 as subs...				J Med Chem 61: 2460-2471 (2018) Article DOI: 10.1021/acs.jmedchem.7b01648 BindingDB Entry DOI: 10.7270/Q2WW7M4J
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Staphylococcus aureus)	BDBM18071 (5-chloro-3-({4-[(2,4-diaminopyrimidin-5-yl)methyl]...) Show SMILES COc1cc(Cc2cnc(N)nc2N)c2cc(Cc3c([nH]c4ccc(Cl)cc34)C(=O)N(C)C)oc2c1OC Show InChI InChI=1S/C27H27ClN6O4/c1-34(2)26(35)22-19(18-9-15(28)5-6-20(18)32-22)11-16-10-17-13(7-14-12-31-27(30)33-25(14)29)8-21(36-3)24(37-4)23(17)38-16/h5-6,8-10,12,32H,7,11H2,1-4H3,(H4,29,30,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents		8	-47.0	50	n/a	n/a	n/a	n/a	7.0	30
ARPIDA AG					Assay Description Activity was measured as a change in absorbance over time at a wavelength of 340 nm (A340), so as to monitor the disappearance of NADPH. After incuba...				Interscience Conference on Antimicrobial Agents in Chemotherapy 1-1 (2006) BindingDB Entry DOI: 10.7270/Q2959FTP
					More data for this Ligand-Target Pair
Genome polyprotein [1424-1463]/[1502-1685] (West Nile virus (WNV))	BDBM24731 ((2S)-6-amino-N-[(1S)-5-amino-1-{[(2S)-5-carbamimid...) Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C26H44N8O4/c27-14-6-4-12-21(33-23(36)17-19-9-2-1-3-10-19)25(38)34-22(13-5-7-15-28)24(37)32-20(18-35)11-8-16-31-26(29)30/h1-3,9-10,18,20-22H,4-8,11-17,27-28H2,(H,32,37)(H,33,36)(H,34,38)(H4,29,30,31)/t20-,21-,22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9	-47.8	51	n/a	n/a	n/a	n/a	9.5	37
University of Queensland					Assay Description Inhibition of WNV protease activity was measured using recombinant WNV protease, which first incubated with inhibitor in 96-well plates. Catalysis wa...				J Med Chem 51: 5714-21 (2008) Article DOI: 10.1021/jm800503y BindingDB Entry DOI: 10.7270/Q27P8WPF
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Streptococcus pneumoniae (ATCC49619))	BDBM18071 (5-chloro-3-({4-[(2,4-diaminopyrimidin-5-yl)methyl]...) Show SMILES COc1cc(Cc2cnc(N)nc2N)c2cc(Cc3c([nH]c4ccc(Cl)cc34)C(=O)N(C)C)oc2c1OC Show InChI InChI=1S/C27H27ClN6O4/c1-34(2)26(35)22-19(18-9-15(28)5-6-20(18)32-22)11-16-10-17-13(7-14-12-31-27(30)33-25(14)29)8-21(36-3)24(37-4)23(17)38-16/h5-6,8-10,12,32H,7,11H2,1-4H3,(H4,29,30,31,33)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents		9	-46.7	90	n/a	n/a	n/a	n/a	7.0	30
ARPIDA AG					Assay Description Activity was measured as a change in absorbance over time at a wavelength of 340 nm (A340), so as to monitor the disappearance of NADPH. After incuba...				Interscience Conference on Antimicrobial Agents in Chemotherapy 1-1 (2006) BindingDB Entry DOI: 10.7270/Q2959FTP
					More data for this Ligand-Target Pair
Genome polyprotein [1424-1463]/[1502-1685] (West Nile virus (WNV))	BDBM24734 ((2S)-6-amino-N-[(1S)-5-amino-1-{[(2S)-5-carbamimid...) Show SMILES [#6]-[#8]-c1cccc(-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O)c1 |r| Show InChI InChI=1S/C27H46N8O5/c1-40-21-10-6-8-19(16-21)17-24(37)34-22(11-2-4-13-28)26(39)35-23(12-3-5-14-29)25(38)33-20(18-36)9-7-15-32-27(30)31/h6,8,10,16,18,20,22-23H,2-5,7,9,11-15,17,28-29H2,1H3,(H,33,38)(H,34,37)(H,35,39)(H4,30,31,32)/t20-,22-,23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	11	-47.3	60	n/a	n/a	n/a	n/a	9.5	37
University of Queensland					Assay Description Inhibition of WNV protease activity was measured using recombinant WNV protease, which first incubated with inhibitor in 96-well plates. Catalysis wa...				J Med Chem 51: 5714-21 (2008) Article DOI: 10.1021/jm800503y BindingDB Entry DOI: 10.7270/Q27P8WPF
					More data for this Ligand-Target Pair
Genome polyprotein [1424-1463]/[1502-1685] (West Nile virus (WNV))	BDBM24746 ((2S)-6-amino-N-[(1S)-4-amino-1-{[(2S)-5-carbamimid...) Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C25H42N8O4/c26-13-5-4-11-20(32-22(35)16-18-8-2-1-3-9-18)24(37)33-21(12-6-14-27)23(36)31-19(17-34)10-7-15-30-25(28)29/h1-3,8-9,17,19-21H,4-7,10-16,26-27H2,(H,31,36)(H,32,35)(H,33,37)(H4,28,29,30)/t19-,20-,21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	13	-46.8	73	n/a	n/a	n/a	n/a	9.5	37
University of Queensland					Assay Description Inhibition of WNV protease activity was measured using recombinant WNV protease, which first incubated with inhibitor in 96-well plates. Catalysis wa...				J Med Chem 51: 5714-21 (2008) Article DOI: 10.1021/jm800503y BindingDB Entry DOI: 10.7270/Q27P8WPF
					More data for this Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial (Homo sapiens (Human))	BDBM50255714 (CHEMBL4064460) Show SMILES [H][C@]12CS[C@@H](CCCCC(=O)NCCCOCCOCCOCCCNC(=O)CCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@H](Sc3ccc4ccccc4c3)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O)[C@@]1([H])NC(=O)N2 |r| Show InChI InChI=1S/C78H116N14O21S2/c1-46(2)39-56(88-76(107)69(48(5)6)91-65(98)43-83-63(96)28-27-62(95)81-32-14-34-112-36-38-113-37-35-111-33-13-31-80-61(94)19-10-9-18-59-70-58(45-114-59)89-78(110)92-70)75(106)85-54(17-11-12-30-82-64(97)42-60(77(108)109)115-53-25-22-50-15-7-8-16-51(50)41-53)73(104)86-55(26-29-67(100)101)74(105)87-57(40-49-20-23-52(93)24-21-49)72(103)84-44-66(99)90-68(47(3)4)71(79)102/h7-8,15-16,20-25,41,46-48,54-60,68-70,93H,9-14,17-19,26-40,42-45H2,1-6H3,(H2,79,102)(H,80,94)(H,81,95)(H,82,97)(H,83,96)(H,84,103)(H,85,106)(H,86,104)(H,87,105)(H,88,107)(H,90,99)(H,91,98)(H,100,101)(H,108,109)(H2,89,92,110)/t54-,55-,56-,57-,58-,59-,60-,68-,69-,70-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany. Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant N-terminal Strep2-tagged SIRT5 expressed in Escherichia coli BL21 (DE3) using Abz-GVLK(glutaryl)AY(NO2)GV...				J Med Chem 61: 2460-2471 (2018) Article DOI: 10.1021/acs.jmedchem.7b01648 BindingDB Entry DOI: 10.7270/Q2WW7M4J
					More data for this Ligand-Target Pair
Genome polyprotein [1424-1463]/[1502-1685] (West Nile virus (WNV))	BDBM24739 ((2S)-6-amino-N-[(1S)-5-amino-1-{[(2S)-5-carbamimid...) Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#8]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C26H44N8O5/c27-14-6-4-12-21(33-23(36)18-39-20-10-2-1-3-11-20)25(38)34-22(13-5-7-15-28)24(37)32-19(17-35)9-8-16-31-26(29)30/h1-3,10-11,17,19,21-22H,4-9,12-16,18,27-28H2,(H,32,37)(H,33,36)(H,34,38)(H4,29,30,31)/t19-,21-,22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	19	-45.8	107	n/a	n/a	n/a	n/a	9.5	37
University of Queensland					Assay Description Inhibition of WNV protease activity was measured using recombinant WNV protease, which first incubated with inhibitor in 96-well plates. Catalysis wa...				J Med Chem 51: 5714-21 (2008) Article DOI: 10.1021/jm800503y BindingDB Entry DOI: 10.7270/Q27P8WPF
					More data for this Ligand-Target Pair
Genome polyprotein [1424-1463]/[1502-1685] (West Nile virus (WNV))	BDBM24733 ((2S)-6-amino-N-[(1S)-5-amino-1-{[(2S)-5-carbamimid...) Show SMILES [#6]-[#8]-c1ccc2cc(ccc2c1)-[#6@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C32H50N8O5/c1-21(22-11-12-24-19-26(45-2)14-13-23(24)18-22)29(42)39-28(10-4-6-16-34)31(44)40-27(9-3-5-15-33)30(43)38-25(20-41)8-7-17-37-32(35)36/h11-14,18-21,25,27-28H,3-10,15-17,33-34H2,1-2H3,(H,38,43)(H,39,42)(H,40,44)(H4,35,36,37)/t21-,25-,27-,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	20	-45.7	112	n/a	n/a	n/a	n/a	9.5	37
University of Queensland					Assay Description Inhibition of WNV protease activity was measured using recombinant WNV protease, which first incubated with inhibitor in 96-well plates. Catalysis wa...				J Med Chem 51: 5714-21 (2008) Article DOI: 10.1021/jm800503y BindingDB Entry DOI: 10.7270/Q27P8WPF
					More data for this Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial (Homo sapiens (Human))	BDBM50255740 (CHEMBL4100351) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@H](Sc1ccc(Cl)c(Cl)c1)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r| Show InChI InChI=1S/C57H76Cl2N10O15S/c1-30(2)24-41(67-56(82)49(32(5)6)69-46(73)28-62-51(77)34-12-8-7-9-13-34)55(81)64-39(14-10-11-23-61-44(71)27-43(57(83)84)85-36-19-20-37(58)38(59)26-36)53(79)65-40(21-22-47(74)75)54(80)66-42(25-33-15-17-35(70)18-16-33)52(78)63-29-45(72)68-48(31(3)4)50(60)76/h7-9,12-13,15-20,26,30-32,39-43,48-49,70H,10-11,14,21-25,27-29H2,1-6H3,(H2,60,76)(H,61,71)(H,62,77)(H,63,78)(H,64,81)(H,65,79)(H,66,80)(H,67,82)(H,68,72)(H,69,73)(H,74,75)(H,83,84)/t39-,40-,41-,42-,43-,48-,49-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged SIRT5 (34 to 269 residues) expressed in Escherichia coli Transetta(DE3) cells using Benzyl Lys(...				J Med Chem 61: 2460-2471 (2018) Article DOI: 10.1021/acs.jmedchem.7b01648 BindingDB Entry DOI: 10.7270/Q2WW7M4J
					More data for this Ligand-Target Pair
Genome polyprotein [1424-1463]/[1502-1685] (West Nile virus (WNV))	BDBM24735 ((2S)-6-amino-N-[(1S)-5-amino-1-{[(2S)-5-carbamimid...) Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#7]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C26H45N9O4/c27-14-6-4-12-21(23(37)33-20(18-36)11-8-16-31-25(29)30)34-24(38)22(13-5-7-15-28)35-26(39)32-17-19-9-2-1-3-10-19/h1-3,9-10,18,20-22H,4-8,11-17,27-28H2,(H,33,37)(H,34,38)(H4,29,30,31)(H2,32,35,39)/t20-,21-,22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	26	-45.0	146	n/a	n/a	n/a	n/a	9.5	37
University of Queensland					Assay Description Inhibition of WNV protease activity was measured using recombinant WNV protease, which first incubated with inhibitor in 96-well plates. Catalysis wa...				J Med Chem 51: 5714-21 (2008) Article DOI: 10.1021/jm800503y BindingDB Entry DOI: 10.7270/Q27P8WPF
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Streptococcus pneumoniae)	BDBM18071 (5-chloro-3-({4-[(2,4-diaminopyrimidin-5-yl)methyl]...) Show SMILES COc1cc(Cc2cnc(N)nc2N)c2cc(Cc3c([nH]c4ccc(Cl)cc34)C(=O)N(C)C)oc2c1OC Show InChI InChI=1S/C27H27ClN6O4/c1-34(2)26(35)22-19(18-9-15(28)5-6-20(18)32-22)11-16-10-17-13(7-14-12-31-27(30)33-25(14)29)8-21(36-3)24(37-4)23(17)38-16/h5-6,8-10,12,32H,7,11H2,1-4H3,(H4,29,30,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents		27	-43.9	50	n/a	n/a	n/a	n/a	7.0	30
ARPIDA AG					Assay Description Activity was measured as a change in absorbance over time at a wavelength of 340 nm (A340), so as to monitor the disappearance of NADPH. After incuba...				Interscience Conference on Antimicrobial Agents in Chemotherapy 1-1 (2006) BindingDB Entry DOI: 10.7270/Q2959FTP
					More data for this Ligand-Target Pair
Genome polyprotein [1424-1463]/[1502-1685] (West Nile virus (WNV))	BDBM24741 ((2S)-6-amino-N-[(2S)-5-carbamimidamido-1-oxopentan...) Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C26H44N10O4/c27-13-5-4-11-21(23(39)34-19(17-37)10-6-14-32-25(28)29)36-24(40)20(12-7-15-33-26(30)31)35-22(38)16-18-8-2-1-3-9-18/h1-3,8-9,17,19-21H,4-7,10-16,27H2,(H,34,39)(H,35,38)(H,36,40)(H4,28,29,32)(H4,30,31,33)/t19-,20-,21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	28	-44.8	154	n/a	n/a	n/a	n/a	9.5	37
University of Queensland					Assay Description Inhibition of WNV protease activity was measured using recombinant WNV protease, which first incubated with inhibitor in 96-well plates. Catalysis wa...				J Med Chem 51: 5714-21 (2008) Article DOI: 10.1021/jm800503y BindingDB Entry DOI: 10.7270/Q27P8WPF
					More data for this Ligand-Target Pair
Genome polyprotein [1424-1463]/[1502-1685] (West Nile virus (WNV))	BDBM24736 (Capped tripeptide aldehyde inhibitor, 24 | benzyl ...) Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C26H44N8O5/c27-14-6-4-12-21(23(36)32-20(17-35)11-8-16-31-25(29)30)33-24(37)22(13-5-7-15-28)34-26(38)39-18-19-9-2-1-3-10-19/h1-3,9-10,17,20-22H,4-8,11-16,18,27-28H2,(H,32,36)(H,33,37)(H,34,38)(H4,29,30,31)/t20-,21-,22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	40	-43.9	222	n/a	n/a	n/a	n/a	9.5	37
University of Queensland					Assay Description Inhibition of WNV protease activity was measured using recombinant WNV protease, which first incubated with inhibitor in 96-well plates. Catalysis wa...				J Med Chem 51: 5714-21 (2008) Article DOI: 10.1021/jm800503y BindingDB Entry DOI: 10.7270/Q27P8WPF
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Staphylococcus aureus)	BDBM18069 (5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB	40	-42.9	600	n/a	n/a	n/a	n/a	7.0	30
ARPIDA AG					Assay Description Activity was measured as a change in absorbance over time at a wavelength of 340 nm (A340), so as to monitor the disappearance of NADPH. After incuba...				Interscience Conference on Antimicrobial Agents in Chemotherapy 1-1 (2006) BindingDB Entry DOI: 10.7270/Q2959FTP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Genome polyprotein [1424-1463]/[1502-1685] (West Nile virus (WNV))	BDBM24728 ((2S)-6-amino-N-[(1S)-5-amino-1-{[(2S)-5-carbamimid...) Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-c1ccc2ccccc2c1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C29H44N8O4/c30-15-5-3-11-24(27(40)35-23(19-38)10-7-17-34-29(32)33)37-28(41)25(12-4-6-16-31)36-26(39)22-14-13-20-8-1-2-9-21(20)18-22/h1-2,8-9,13-14,18-19,23-25H,3-7,10-12,15-17,30-31H2,(H,35,40)(H,36,39)(H,37,41)(H4,32,33,34)/t23-,24-,25-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	41	-43.9	231	n/a	n/a	n/a	n/a	9.5	37
University of Queensland					Assay Description Inhibition of WNV protease activity was measured using recombinant WNV protease, which first incubated with inhibitor in 96-well plates. Catalysis wa...				J Med Chem 51: 5714-21 (2008) Article DOI: 10.1021/jm800503y BindingDB Entry DOI: 10.7270/Q27P8WPF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Genome polyprotein [1424-1463]/[1502-1685] (West Nile virus (WNV))	BDBM24744 ((2S)-N-[(1S)-5-amino-1-{[(2S)-5-carbamimidamido-1-...) Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C27H46N10O4/c28-14-6-4-12-22(24(40)35-20(18-38)11-8-16-34-27(31)32)37-25(41)21(13-5-7-15-33-26(29)30)36-23(39)17-19-9-2-1-3-10-19/h1-3,9-10,18,20-22H,4-8,11-17,28H2,(H,35,40)(H,36,39)(H,37,41)(H4,29,30,33)(H4,31,32,34)/t20-,21-,22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	44	-43.7	245	n/a	n/a	n/a	n/a	9.5	37
University of Queensland					Assay Description Inhibition of WNV protease activity was measured using recombinant WNV protease, which first incubated with inhibitor in 96-well plates. Catalysis wa...				J Med Chem 51: 5714-21 (2008) Article DOI: 10.1021/jm800503y BindingDB Entry DOI: 10.7270/Q27P8WPF
					More data for this Ligand-Target Pair
Genome polyprotein [1424-1463]/[1502-1685] (West Nile virus (WNV))	BDBM24742 ((2S)-6-amino-2-[(2S)-5-amino-2-(1-phenylacetamido)...) Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C25H42N8O4/c26-13-5-4-11-21(23(36)31-19(17-34)10-7-15-30-25(28)29)33-24(37)20(12-6-14-27)32-22(35)16-18-8-2-1-3-9-18/h1-3,8-9,17,19-21H,4-7,10-16,26-27H2,(H,31,36)(H,32,35)(H,33,37)(H4,28,29,30)/t19-,20-,21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	46	-43.6	255	n/a	n/a	n/a	n/a	9.5	37
University of Queensland					Assay Description Inhibition of WNV protease activity was measured using recombinant WNV protease, which first incubated with inhibitor in 96-well plates. Catalysis wa...				J Med Chem 51: 5714-21 (2008) Article DOI: 10.1021/jm800503y BindingDB Entry DOI: 10.7270/Q27P8WPF
					More data for this Ligand-Target Pair
Genome polyprotein [1424-1463]/[1502-1685] (West Nile virus (WNV))	BDBM24737 ((2S)-6-amino-N-[(1S)-5-amino-1-{[(2S)-5-carbamimid...) Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C25H42N8O4/c26-14-6-4-12-20(23(36)31-19(17-34)11-8-16-30-25(28)29)33-24(37)21(13-5-7-15-27)32-22(35)18-9-2-1-3-10-18/h1-3,9-10,17,19-21H,4-8,11-16,26-27H2,(H,31,36)(H,32,35)(H,33,37)(H4,28,29,30)/t19-,20-,21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	49	-43.4	271	n/a	n/a	n/a	n/a	9.5	37
University of Queensland					Assay Description Inhibition of WNV protease activity was measured using recombinant WNV protease, which first incubated with inhibitor in 96-well plates. Catalysis wa...				J Med Chem 51: 5714-21 (2008) Article DOI: 10.1021/jm800503y BindingDB Entry DOI: 10.7270/Q27P8WPF
					More data for this Ligand-Target Pair
Genome polyprotein [1424-1463]/[1502-1685] (West Nile virus (WNV))	BDBM24748 ((2S)-2-[(2S)-6-amino-2-(1-phenylacetamido)hexanami...) Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C27H46N10O4/c28-14-6-4-12-21(36-23(39)17-19-9-2-1-3-10-19)25(41)37-22(13-5-7-15-33-26(29)30)24(40)35-20(18-38)11-8-16-34-27(31)32/h1-3,9-10,18,20-22H,4-8,11-17,28H2,(H,35,40)(H,36,39)(H,37,41)(H4,29,30,33)(H4,31,32,34)/t20-,21-,22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	53	-43.2	297	n/a	n/a	n/a	n/a	9.5	37
University of Queensland					Assay Description Inhibition of WNV protease activity was measured using recombinant WNV protease, which first incubated with inhibitor in 96-well plates. Catalysis wa...				J Med Chem 51: 5714-21 (2008) Article DOI: 10.1021/jm800503y BindingDB Entry DOI: 10.7270/Q27P8WPF
					More data for this Ligand-Target Pair
Genome polyprotein [1424-1463]/[1502-1685] (West Nile virus (WNV))	BDBM24745 ((2S)-6-amino-N-[(1S)-4-carbamimidamido-1-{[(2S)-5-...) Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C26H44N10O4/c27-13-5-4-11-20(35-22(38)16-18-8-2-1-3-9-18)24(40)36-21(12-7-15-33-26(30)31)23(39)34-19(17-37)10-6-14-32-25(28)29/h1-3,8-9,17,19-21H,4-7,10-16,27H2,(H,34,39)(H,35,38)(H,36,40)(H4,28,29,32)(H4,30,31,33)/t19-,20-,21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	58	-43.0	325	n/a	n/a	n/a	n/a	9.5	37
University of Queensland					Assay Description Inhibition of WNV protease activity was measured using recombinant WNV protease, which first incubated with inhibitor in 96-well plates. Catalysis wa...				J Med Chem 51: 5714-21 (2008) Article DOI: 10.1021/jm800503y BindingDB Entry DOI: 10.7270/Q27P8WPF
					More data for this Ligand-Target Pair
Genome polyprotein [1424-1463]/[1502-1685] (West Nile virus (WNV))	BDBM24738 ((2S)-6-amino-N-[(1S)-5-amino-1-{[(2S)-5-carbamimid...) Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C27H46N8O4/c28-16-6-4-12-22(34-24(37)15-14-20-9-2-1-3-10-20)26(39)35-23(13-5-7-17-29)25(38)33-21(19-36)11-8-18-32-27(30)31/h1-3,9-10,19,21-23H,4-8,11-18,28-29H2,(H,33,38)(H,34,37)(H,35,39)(H4,30,31,32)/t21-,22-,23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	81	-42.1	454	n/a	n/a	n/a	n/a	9.5	37
University of Queensland					Assay Description Inhibition of WNV protease activity was measured using recombinant WNV protease, which first incubated with inhibitor in 96-well plates. Catalysis wa...				J Med Chem 51: 5714-21 (2008) Article DOI: 10.1021/jm800503y BindingDB Entry DOI: 10.7270/Q27P8WPF
					More data for this Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial (Homo sapiens (Human))	BDBM50255726 (CHEMBL4085990) Show SMILES [H][C@]12CS[C@@H](CCCCC(=O)NCCCOCCOCCOCCCNC(=O)CCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(=O)CC(Sc3ccc4ccccc4c3)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O)[C@@]1([H])NC(=O)N2 |r| Show InChI InChI=1S/C78H116N14O21S2/c1-46(2)39-56(88-76(107)69(48(5)6)91-65(98)43-83-63(96)28-27-62(95)81-32-14-34-112-36-38-113-37-35-111-33-13-31-80-61(94)19-10-9-18-59-70-58(45-114-59)89-78(110)92-70)75(106)85-54(17-11-12-30-82-64(97)42-60(77(108)109)115-53-25-22-50-15-7-8-16-51(50)41-53)73(104)86-55(26-29-67(100)101)74(105)87-57(40-49-20-23-52(93)24-21-49)72(103)84-44-66(99)90-68(47(3)4)71(79)102/h7-8,15-16,20-25,41,46-48,54-60,68-70,93H,9-14,17-19,26-40,42-45H2,1-6H3,(H2,79,102)(H,80,94)(H,81,95)(H,82,97)(H,83,96)(H,84,103)(H,85,106)(H,86,104)(H,87,105)(H,88,107)(H,90,99)(H,91,98)(H,100,101)(H,108,109)(H2,89,92,110)/t54-,55-,56-,57-,58-,59-,60?,68-,69-,70-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany. Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant N-terminal Strep2-tagged SIRT5 expressed in Escherichia coli BL21 (DE3) using Abz-GVLK(glutaryl)AY(NO2)GV...				J Med Chem 61: 2460-2471 (2018) Article DOI: 10.1021/acs.jmedchem.7b01648 BindingDB Entry DOI: 10.7270/Q2WW7M4J
					More data for this Ligand-Target Pair
Dihydrofolate reductase [F98Y] (Staphylococcus aureus (subsp. aureus NCTC 8325))	BDBM18071 (5-chloro-3-({4-[(2,4-diaminopyrimidin-5-yl)methyl]...) Show SMILES COc1cc(Cc2cnc(N)nc2N)c2cc(Cc3c([nH]c4ccc(Cl)cc34)C(=O)N(C)C)oc2c1OC Show InChI InChI=1S/C27H27ClN6O4/c1-34(2)26(35)22-19(18-9-15(28)5-6-20(18)32-22)11-16-10-17-13(7-14-12-31-27(30)33-25(14)29)8-21(36-3)24(37-4)23(17)38-16/h5-6,8-10,12,32H,7,11H2,1-4H3,(H4,29,30,31,33)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents		90	-40.9	900	n/a	n/a	n/a	n/a	7.0	30
ARPIDA AG					Assay Description Activity was measured as a change in absorbance over time at a wavelength of 340 nm (A340), so as to monitor the disappearance of NADPH. After incuba...				Interscience Conference on Antimicrobial Agents in Chemotherapy 1-1 (2006) BindingDB Entry DOI: 10.7270/Q2959FTP
					More data for this Ligand-Target Pair
Genome polyprotein [1424-1463]/[1502-1685] (West Nile virus (WNV))	BDBM24730 ((2S)-6-amino-2-[(2S)-6-amino-2-[(2E)-3-phenylprop-...) Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]=[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r,w:9.8| Show InChI InChI=1S/C27H44N8O4/c28-16-6-4-12-22(34-24(37)15-14-20-9-2-1-3-10-20)26(39)35-23(13-5-7-17-29)25(38)33-21(19-36)11-8-18-32-27(30)31/h1-3,9-10,14-15,19,21-23H,4-8,11-13,16-18,28-29H2,(H,33,38)(H,34,37)(H,35,39)(H4,30,31,32)/t21-,22-,23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	104	-41.5	580	n/a	n/a	n/a	n/a	9.5	37
University of Queensland					Assay Description Inhibition of WNV protease activity was measured using recombinant WNV protease, which first incubated with inhibitor in 96-well plates. Catalysis wa...				J Med Chem 51: 5714-21 (2008) Article DOI: 10.1021/jm800503y BindingDB Entry DOI: 10.7270/Q27P8WPF
					More data for this Ligand-Target Pair
Genome polyprotein [1424-1463]/[1502-1685] (West Nile virus (WNV))	BDBM24743 ((2S)-6-amino-N-[(2S)-5-carbamimidamido-1-oxopentan...) Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C26H43N9O5/c27-13-5-4-11-21(23(38)33-19(17-36)10-6-14-31-25(28)29)35-24(39)20(12-7-15-32-26(30)40)34-22(37)16-18-8-2-1-3-9-18/h1-3,8-9,17,19-21H,4-7,10-16,27H2,(H,33,38)(H,34,37)(H,35,39)(H4,28,29,31)(H3,30,32,40)/t19-,20-,21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	111	-41.3	619	n/a	n/a	n/a	n/a	9.5	37
University of Queensland					Assay Description Inhibition of WNV protease activity was measured using recombinant WNV protease, which first incubated with inhibitor in 96-well plates. Catalysis wa...				J Med Chem 51: 5714-21 (2008) Article DOI: 10.1021/jm800503y BindingDB Entry DOI: 10.7270/Q27P8WPF
					More data for this Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial (Homo sapiens (Human))	BDBM50255644 (CHEMBL4079212) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@H](Sc1ccccc1)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r| Show InChI InChI=1S/C57H78N10O15S/c1-32(2)27-41(65-56(80)49(34(5)6)67-46(71)30-60-51(75)36-15-9-7-10-16-36)55(79)62-39(19-13-14-26-59-44(69)29-43(57(81)82)83-38-17-11-8-12-18-38)53(77)63-40(24-25-47(72)73)54(78)64-42(28-35-20-22-37(68)23-21-35)52(76)61-31-45(70)66-48(33(3)4)50(58)74/h7-12,15-18,20-23,32-34,39-43,48-49,68H,13-14,19,24-31H2,1-6H3,(H2,58,74)(H,59,69)(H,60,75)(H,61,76)(H,62,79)(H,63,77)(H,64,78)(H,65,80)(H,66,70)(H,67,71)(H,72,73)(H,81,82)/t39-,40-,41-,42-,43-,48-,49-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	135	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal Strep2-tagged SIRT5 expressed in Escherichia coli BL21 (DE3) using Abz-GVLK(glutaryl)AY(NO2)GV-NH2 as subs...				J Med Chem 61: 2460-2471 (2018) Article DOI: 10.1021/acs.jmedchem.7b01648 BindingDB Entry DOI: 10.7270/Q2WW7M4J
					More data for this Ligand-Target Pair
Genome polyprotein [1424-1463]/[1502-1685] (West Nile virus (WNV))	BDBM24740 ((2S)-6-amino-N-[(1S)-5-amino-1-{[(2S)-5-carbamimid...) Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-c1ccccc1-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C25H43N9O4/c26-13-5-3-11-20(23(37)32-17(16-35)8-7-15-31-25(29)30)34-24(38)21(12-4-6-14-27)33-22(36)18-9-1-2-10-19(18)28/h1-2,9-10,16-17,20-21H,3-8,11-15,26-28H2,(H,32,37)(H,33,36)(H,34,38)(H4,29,30,31)/t17-,20-,21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	160	-40.3	891	n/a	n/a	n/a	n/a	9.5	37
University of Queensland					Assay Description Inhibition of WNV protease activity was measured using recombinant WNV protease, which first incubated with inhibitor in 96-well plates. Catalysis wa...				J Med Chem 51: 5714-21 (2008) Article DOI: 10.1021/jm800503y BindingDB Entry DOI: 10.7270/Q27P8WPF
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Streptococcus pneumoniae)	BDBM18069 (5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars		240	-38.4	3.00E+3	n/a	n/a	n/a	n/a	7.0	30
ARPIDA AG					Assay Description Activity was measured as a change in absorbance over time at a wavelength of 340 nm (A340), so as to monitor the disappearance of NADPH. After incuba...				Interscience Conference on Antimicrobial Agents in Chemotherapy 1-1 (2006) BindingDB Entry DOI: 10.7270/Q2959FTP
					More data for this Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial (Homo sapiens (Human))	BDBM50255725 (CHEMBL4068365) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)CC(Cc1ccccc1)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r| Show InChI InChI=1S/C58H80N10O15/c1-33(2)27-43(66-57(81)50(35(5)6)68-47(72)31-61-52(76)38-17-11-8-12-18-38)56(80)63-41(19-13-14-26-60-45(70)30-39(58(82)83)28-36-15-9-7-10-16-36)54(78)64-42(24-25-48(73)74)55(79)65-44(29-37-20-22-40(69)23-21-37)53(77)62-32-46(71)67-49(34(3)4)51(59)75/h7-12,15-18,20-23,33-35,39,41-44,49-50,69H,13-14,19,24-32H2,1-6H3,(H2,59,75)(H,60,70)(H,61,76)(H,62,77)(H,63,80)(H,64,78)(H,65,79)(H,66,81)(H,67,71)(H,68,72)(H,73,74)(H,82,83)/t39?,41-,42-,43-,44-,49-,50-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	263	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal Strep2-tagged SIRT5 expressed in Escherichia coli BL21 (DE3) using Abz-GVLK(glutaryl)AY(NO2)GV-NH2 as subs...				J Med Chem 61: 2460-2471 (2018) Article DOI: 10.1021/acs.jmedchem.7b01648 BindingDB Entry DOI: 10.7270/Q2WW7M4J
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50112086 (3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...) Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccn1 Show InChI InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis R&D Curated by ChEMBL					Assay Description Inhibition of factor-10a (unknown origin)				J Med Chem 56: 9441-56 (2014) Article DOI: 10.1021/jm4005835 BindingDB Entry DOI: 10.7270/Q20K2B0C
					More data for this Ligand-Target Pair
Genome polyprotein [1424-1463]/[1502-1685] (West Nile virus (WNV))	BDBM24747 ((2S)-6-amino-N-[(1S)-1-{[(2S)-5-carbamimidamido-1-...) Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C26H43N9O5/c27-13-5-4-11-20(34-22(37)16-18-8-2-1-3-9-18)24(39)35-21(12-7-15-32-26(30)40)23(38)33-19(17-36)10-6-14-31-25(28)29/h1-3,8-9,17,19-21H,4-7,10-16,27H2,(H,33,38)(H,34,37)(H,35,39)(H4,28,29,31)(H3,30,32,40)/t19-,20-,21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	2.07E+3	-33.7	1.16E+4	n/a	n/a	n/a	n/a	9.5	37
University of Queensland					Assay Description Inhibition of WNV protease activity was measured using recombinant WNV protease, which first incubated with inhibitor in 96-well plates. Catalysis wa...				J Med Chem 51: 5714-21 (2008) Article DOI: 10.1021/jm800503y BindingDB Entry DOI: 10.7270/Q27P8WPF
					More data for this Ligand-Target Pair
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM50443853 (CHEMBL3091519 | US20230391761, Reference 1) Show SMILES CN1CCN(CC1)C(=O)[C@H](CNC(=O)c1ccc(Cl)s1)NS(=O)(=O)c1cccc(N2CCCC2=O)c1C |r| Show InChI InChI=1S/C24H30ClN5O5S2/c1-16-18(30-10-4-7-22(30)31)5-3-6-20(16)37(34,35)27-17(24(33)29-13-11-28(2)12-14-29)15-26-23(32)19-8-9-21(25)36-19/h3,5-6,8-9,17,27H,4,7,10-15H2,1-2H3,(H,26,32)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis R&D Curated by ChEMBL					Assay Description Inhibition of t-PA (unknown origin)				J Med Chem 56: 9441-56 (2014) Article DOI: 10.1021/jm4005835 BindingDB Entry DOI: 10.7270/Q20K2B0C
					More data for this Ligand-Target Pair
Genome polyprotein [1424-1463]/[1502-1685] (West Nile virus (WNV))	BDBM24749 ((2S)-6-amino-N-[(1S)-5-amino-1-{[(2S)-1-(1H-indol-...) Show SMILES NCCCC[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C=O |r| Show InChI InChI=1S/C31H42N6O4/c32-16-8-6-14-27(36-29(39)18-22-10-2-1-3-11-22)31(41)37-28(15-7-9-17-33)30(40)35-24(21-38)19-23-20-34-26-13-5-4-12-25(23)26/h1-5,10-13,20-21,24,27-28,34H,6-9,14-19,32-33H2,(H,35,40)(H,36,39)(H,37,41)/t24-,27-,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.60E+3	-31.7	2.57E+4	n/a	n/a	n/a	n/a	9.5	37
University of Queensland					Assay Description Inhibition of WNV protease activity was measured using recombinant WNV protease, which first incubated with inhibitor in 96-well plates. Catalysis wa...				J Med Chem 51: 5714-21 (2008) Article DOI: 10.1021/jm800503y BindingDB Entry DOI: 10.7270/Q27P8WPF
					More data for this Ligand-Target Pair
Dihydrofolate reductase [F98Y] (Staphylococcus aureus (subsp. aureus NCTC 8325))	BDBM18069 (5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB	5.50E+3	-30.5	4.50E+4	n/a	n/a	n/a	n/a	7.0	30
ARPIDA AG					Assay Description Activity was measured as a change in absorbance over time at a wavelength of 340 nm (A340), so as to monitor the disappearance of NADPH. After incuba...				Interscience Conference on Antimicrobial Agents in Chemotherapy 1-1 (2006) BindingDB Entry DOI: 10.7270/Q2959FTP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Streptococcus pneumoniae (ATCC49619))	BDBM18069 (5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars		5.60E+3	-30.5	4.20E+4	n/a	n/a	n/a	n/a	7.0	30
ARPIDA AG					Assay Description Activity was measured as a change in absorbance over time at a wavelength of 340 nm (A340), so as to monitor the disappearance of NADPH. After incuba...				Interscience Conference on Antimicrobial Agents in Chemotherapy 1-1 (2006) BindingDB Entry DOI: 10.7270/Q2959FTP
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50443855 (CHEMBL3091517) Show SMILES [#6]-[#6](=O)-[#7]-c1c(cccc1S(=O)(=O)[#7]-[#6@@H](-[#6]-[#6]-[#6]-c1ccc(-[#7])cn1)-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](/F)F)-c1ccccc1 |r| Show InChI InChI=1S/C30H33F2N5O4S/c1-20(38)35-28-25(21-7-3-2-4-8-21)10-6-12-27(28)42(40,41)36-26(11-5-9-24-14-13-23(33)19-34-24)30(39)37-17-15-22(16-18-37)29(31)32/h2-4,6-8,10,12-14,19,26,36H,5,9,11,15-18,33H2,1H3,(H,35,38)/t26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis R&D Curated by ChEMBL					Assay Description Inhibition of factor-10a (unknown origin)				J Med Chem 56: 9441-56 (2014) Article DOI: 10.1021/jm4005835 BindingDB Entry DOI: 10.7270/Q20K2B0C
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50443853 (CHEMBL3091519 | US20230391761, Reference 1) Show SMILES CN1CCN(CC1)C(=O)[C@H](CNC(=O)c1ccc(Cl)s1)NS(=O)(=O)c1cccc(N2CCCC2=O)c1C |r| Show InChI InChI=1S/C24H30ClN5O5S2/c1-16-18(30-10-4-7-22(30)31)5-3-6-20(16)37(34,35)27-17(24(33)29-13-11-28(2)12-14-29)15-26-23(32)19-8-9-21(25)36-19/h3,5-6,8-9,17,27H,4,7,10-15H2,1-2H3,(H,26,32)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis R&D Curated by ChEMBL					Assay Description Inhibition of plasmin (unknown origin)				J Med Chem 56: 9441-56 (2014) Article DOI: 10.1021/jm4005835 BindingDB Entry DOI: 10.7270/Q20K2B0C
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50443857 (CHEMBL3091501) Show SMILES CN(C)[C@H]1CCN(C1)C(=O)[C@H](CNC(=O)c1ccc(Cl)s1)NS(=O)(=O)c1cccc(N2CCCCC2=O)c1OC(F)F |r| Show InChI InChI=1S/C26H32ClF2N5O6S2/c1-32(2)16-11-13-33(15-16)25(37)17(14-30-24(36)19-9-10-21(27)41-19)31-42(38,39)20-7-5-6-18(23(20)40-26(28)29)34-12-4-3-8-22(34)35/h5-7,9-10,16-17,26,31H,3-4,8,11-15H2,1-2H3,(H,30,36)/t16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis R&D Curated by ChEMBL					Assay Description Inhibition of human coagulation factor 10a using S-2765 as substrate measured up to 20 mins by chromogenic assay				J Med Chem 56: 9441-56 (2014) Article DOI: 10.1021/jm4005835 BindingDB Entry DOI: 10.7270/Q20K2B0C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM50443858 (CHEMBL3091502) Show SMILES CN1CCN(CC1)C(=O)[C@H](CNC(=O)c1ccc(Cl)s1)NS(=O)(=O)c1cc(F)cc(N2CCCCC2=O)c1Cl |r| Show InChI InChI=1S/C24H28Cl2FN5O5S2/c1-30-8-10-31(11-9-30)24(35)16(14-28-23(34)18-5-6-20(25)38-18)29-39(36,37)19-13-15(27)12-17(22(19)26)32-7-3-2-4-21(32)33/h5-6,12-13,16,29H,2-4,7-11,14H2,1H3,(H,28,34)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis R&D Curated by ChEMBL					Assay Description Inhibition of human coagulation factor 10a using S-2765 as substrate measured up to 20 mins by chromogenic assay				J Med Chem 56: 9441-56 (2014) Article DOI: 10.1021/jm4005835 BindingDB Entry DOI: 10.7270/Q20K2B0C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM50443846 (CHEMBL3091527) Show SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)N1CCOC[C@@H]1C)N1CCCC1=O |r| Show InChI InChI=1S/C25H31ClN4O6S2/c1-3-17-19(30-11-5-8-23(30)31)6-4-7-21(17)38(34,35)28-18(25(33)29-12-13-36-15-16(29)2)14-27-24(32)20-9-10-22(26)37-20/h4,6-7,9-10,16,18,28H,3,5,8,11-15H2,1-2H3,(H,27,32)/t16-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis R&D Curated by ChEMBL					Assay Description Inhibition of human coagulation factor 10a using S-2765 as substrate measured up to 20 mins by chromogenic assay				J Med Chem 56: 9441-56 (2014) Article DOI: 10.1021/jm4005835 BindingDB Entry DOI: 10.7270/Q20K2B0C
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50443847 (CHEMBL3091526) Show SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)N1CCOC[C@@H]1C)N1CCCCC1=O |r| Show InChI InChI=1S/C26H33ClN4O6S2/c1-3-18-20(31-12-5-4-9-24(31)32)7-6-8-22(18)39(35,36)29-19(26(34)30-13-14-37-16-17(30)2)15-28-25(33)21-10-11-23(27)38-21/h6-8,10-11,17,19,29H,3-5,9,12-16H2,1-2H3,(H,28,33)/t17-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis R&D Curated by ChEMBL					Assay Description Inhibition of human coagulation factor 10a using S-2765 as substrate measured up to 20 mins by chromogenic assay				J Med Chem 56: 9441-56 (2014) Article DOI: 10.1021/jm4005835 BindingDB Entry DOI: 10.7270/Q20K2B0C
					More data for this Ligand-Target Pair

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