Compile Data Set for Download or QSAR

Found 2380 hits with Last Name = 'ren' and Initial = 'y'   

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
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50343621 (1-(1,3-Benzodioxol-5-ylmethyl)-4-(4-nitrobenzyl)pi...) Show SMILES [O-][N+](=O)c1ccc(CN2CCN(Cc3ccc4OCOc4c3)CC2)cc1 Show InChI InChI=1S/C19H21N3O4/c23-22(24)17-4-1-15(2-5-17)12-20-7-9-21(10-8-20)13-16-3-6-18-19(11-16)26-14-25-18/h1-6,11H,7-10,12-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Radiopharmaceuticals (Beijing Normal University) Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from sigma 1 receptor in rat brain membranes by competitive binding assay				Bioorg Med Chem 19: 2911-7 (2011) Article DOI: 10.1016/j.bmc.2011.03.037 BindingDB Entry DOI: 10.7270/Q2QJ7HN1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50556952 (CHEMBL4754487) Show SMILES COc1cc(CNC(=O)CCCCCCNc2c3C4CC(Cc3nc3cc(Cl)ccc23)C=C(C)C4)ccc1O |t:34,TLB:23:22:19:34.31.32,THB:16:17:19:34.31.32| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Mixed-type inhibition of recombinant human AChE assessed as inhibition constant using acetylthiocholine iodide as substrate by Cornish-Bowden plot an...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01775 BindingDB Entry DOI: 10.7270/Q2K077XJ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50343619 (1-(1,3-Benzodioxol-5-ylmethyl)-4-(4-bromobenzyl)pi...) Show SMILES Brc1ccc(CN2CCN(Cc3ccc4OCOc4c3)CC2)cc1 Show InChI InChI=1S/C19H21BrN2O2/c20-17-4-1-15(2-5-17)12-21-7-9-22(10-8-21)13-16-3-6-18-19(11-16)24-14-23-18/h1-6,11H,7-10,12-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Radiopharmaceuticals (Beijing Normal University) Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from sigma 1 receptor in rat brain membranes by competitive binding assay				Bioorg Med Chem 19: 2911-7 (2011) Article DOI: 10.1016/j.bmc.2011.03.037 BindingDB Entry DOI: 10.7270/Q2QJ7HN1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50343620 (1-(1,3-Benzodioxol-5-ylmethyl)-4-(4-iodobenzyl)pip...) Show SMILES Ic1ccc(CN2CCN(Cc3ccc4OCOc4c3)CC2)cc1 Show InChI InChI=1S/C19H21IN2O2/c20-17-4-1-15(2-5-17)12-21-7-9-22(10-8-21)13-16-3-6-18-19(11-16)24-14-23-18/h1-6,11H,7-10,12-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Radiopharmaceuticals (Beijing Normal University) Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from sigma 1 receptor in rat brain membranes by competitive binding assay				Bioorg Med Chem 19: 2911-7 (2011) Article DOI: 10.1016/j.bmc.2011.03.037 BindingDB Entry DOI: 10.7270/Q2QJ7HN1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50343618 (1-(1,3-Benzodioxol-5-ylmethyl)-4-(4-fluorobenzyl)p...) Show SMILES Fc1ccc(CN2CCN(Cc3ccc4OCOc4c3)CC2)cc1 Show InChI InChI=1S/C19H21FN2O2/c20-17-4-1-15(2-5-17)12-21-7-9-22(10-8-21)13-16-3-6-18-19(11-16)24-14-23-18/h1-6,11H,7-10,12-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Radiopharmaceuticals (Beijing Normal University) Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from sigma 1 receptor in rat brain membranes by competitive binding assay				Bioorg Med Chem 19: 2911-7 (2011) Article DOI: 10.1016/j.bmc.2011.03.037 BindingDB Entry DOI: 10.7270/Q2QJ7HN1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50343622 (1-(1,3-Benzodioxol-5-ylmethyl)-4-(4-methylbenzyl)-...) Show SMILES Cc1ccc(CN2CCN(Cc3ccc4OCOc4c3)CC2)cc1 Show InChI InChI=1S/C20H24N2O2/c1-16-2-4-17(5-3-16)13-21-8-10-22(11-9-21)14-18-6-7-19-20(12-18)24-15-23-19/h2-7,12H,8-11,13-15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Radiopharmaceuticals (Beijing Normal University) Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from sigma 1 receptor in rat brain membranes by competitive binding assay				Bioorg Med Chem 19: 2911-7 (2011) Article DOI: 10.1016/j.bmc.2011.03.037 BindingDB Entry DOI: 10.7270/Q2QJ7HN1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50556952 (CHEMBL4754487) Show SMILES COc1cc(CNC(=O)CCCCCCNc2c3C4CC(Cc3nc3cc(Cl)ccc23)C=C(C)C4)ccc1O |t:34,TLB:23:22:19:34.31.32,THB:16:17:19:34.31.32| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	0.940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Mixed-type inhibition of recombinant human AChE assessed as dissociation constant for protein-substrate-compound complex using acetylthiocholine iodi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01775 BindingDB Entry DOI: 10.7270/Q2K077XJ
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Homo sapiens (Human))	BDBM50338990 (1-(3,4-dimethoxyphenethyl)-4-(3-phenylpropyl)piper...) Show SMILES COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC Show InChI InChI=1S/C23H32N2O2/c1-26-22-11-10-21(19-23(22)27-2)12-14-25-17-15-24(16-18-25)13-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,19H,6,9,12-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Radiopharmaceuticals (Beijing Normal University) Curated by ChEMBL					Assay Description Binding affinity to emopamil binding protein				Bioorg Med Chem 19: 2911-7 (2011) Article DOI: 10.1016/j.bmc.2011.03.037 BindingDB Entry DOI: 10.7270/Q2QJ7HN1
					More data for this Ligand-Target Pair
Monoglyceride lipase (Homo sapiens (Human))	BDBM50540526 (CHEMBL4637658) Show SMILES Clc1cccc(NC(=O)C2CCN(CC2)C(=O)c2ccc3ccccc3c2)c1 Show InChI InChI=1S/C23H21ClN2O2/c24-20-6-3-7-21(15-20)25-22(27)17-10-12-26(13-11-17)23(28)19-9-8-16-4-1-2-5-18(16)14-19/h1-9,14-15,17H,10-13H2,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant MAGL at 31.25 nM to 125 nM pre-incubated for 5 mins before MAGL substrate addition and further incubated ...				J Med Chem 63: 5783-5796 (2020) Article DOI: 10.1021/acs.jmedchem.9b02137 BindingDB Entry DOI: 10.7270/Q2GQ7288
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM288689 (TC001262 | US10092529, Compound 38) Show SMILES CC(C)(C=C)C(=O)N1[C@@H](CC1=O)c1ccccc1 |r| Show InChI InChI=1S/C15H17NO2/c1-4-15(2,3)14(18)16-12(10-13(16)17)11-8-6-5-7-9-11/h4-9,12H,1,10H2,2-3H3/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	13.7	-44.9	n/a	n/a	n/a	n/a	n/a	n/a	25
National Institute of Biological Sciences, Beijing US Patent					Assay Description Materials: Recombinant full-length RIPK1 protein with N-terminal GST-tag (Cat#R07-34G) was purchased from SignalChem. The ADP-Glo kinase assay kit (C...				US Patent US10092529 (2018) BindingDB Entry DOI: 10.7270/Q26W9D35
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM370555 ((1R,4r)-4-((R)-2-((S)-6-fluoro-5H-imidazo[5,1- a]i...) Show SMILES O[C@H](C[C@H]1c2c(cccc2F)-c2cncn12)[C@H]1CC[C@H](O)CC1 |r,wU:19.22,wD:3.2,1.0,16.19,(-.99,-3.03,;-.22,-1.7,;-.99,-.37,;-2.53,-.37,;-3.37,.92,;-4.85,.53,;-5.94,1.61,;-5.54,3.1,;-4.06,3.5,;-2.97,2.41,;-1.48,2.81,;-4.93,-1.01,;-5.9,-2.21,;-5.06,-3.5,;-3.58,-3.1,;-3.5,-1.56,;1.32,-1.7,;2.09,-3.03,;3.63,-3.03,;4.4,-1.7,;5.94,-1.7,;3.63,-.37,;2.09,-.37,)| Show InChI InChI=1S/C18H21FN2O2/c19-14-3-1-2-13-16-9-20-10-21(16)15(18(13)14)8-17(23)11-4-6-12(22)7-5-11/h1-3,9-12,15,17,22-23H,4-8H2/t11-,12-,15-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00303 BindingDB Entry DOI: 10.7270/Q2474G0K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM288691 (TC001207 | US10092529, Compound 24) Show SMILES CCC(C)(C)C(=O)N1[C@@H](CC1=O)c1ccccc1 |r| Show InChI InChI=1S/C15H19NO2/c1-4-15(2,3)14(18)16-12(10-13(16)17)11-8-6-5-7-9-11/h5-9,12H,4,10H2,1-3H3/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	19.8	-44.0	n/a	n/a	n/a	n/a	n/a	n/a	25
National Institute of Biological Sciences, Beijing US Patent					Assay Description Materials: Recombinant full-length RIPK1 protein with N-terminal GST-tag (Cat#R07-34G) was purchased from SignalChem. The ADP-Glo kinase assay kit (C...				US Patent US10092529 (2018) BindingDB Entry DOI: 10.7270/Q26W9D35
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM288686 (TC001124 | US10092529, Compound 10) Show SMILES CCC(C)(C)C(=O)N1CCCC1c1cc(F)cc(F)c1F Show InChI InChI=1S/C16H20F3NO/c1-4-16(2,3)15(21)20-7-5-6-13(20)11-8-10(17)9-12(18)14(11)19/h8-9,13H,4-7H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	22.5	-43.7	n/a	n/a	n/a	n/a	n/a	n/a	25
National Institute of Biological Sciences, Beijing US Patent					Assay Description Materials: Recombinant full-length RIPK1 protein with N-terminal GST-tag (Cat#R07-34G) was purchased from SignalChem. The ADP-Glo kinase assay kit (C...				US Patent US10092529 (2018) BindingDB Entry DOI: 10.7270/Q26W9D35
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM288687 (TC001129 | US10092529, Compound 2) Show SMILES CCC(C)(C)C(=O)N1CCC1c1ccccc1 Show InChI InChI=1S/C15H21NO/c1-4-15(2,3)14(17)16-11-10-13(16)12-8-6-5-7-9-12/h5-9,13H,4,10-11H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	34.8	-42.6	n/a	n/a	n/a	n/a	n/a	n/a	25
National Institute of Biological Sciences, Beijing US Patent					Assay Description Materials: Recombinant full-length RIPK1 protein with N-terminal GST-tag (Cat#R07-34G) was purchased from SignalChem. The ADP-Glo kinase assay kit (C...				US Patent US10092529 (2018) BindingDB Entry DOI: 10.7270/Q26W9D35
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM288688 (TC001273 | US10092529, Compound 25) Show SMILES CCC(C)(C)C(=O)N1C(CC1=O)c1cccc(c1)N=[N+]=[N-] Show InChI InChI=1S/C15H18N4O2/c1-4-15(2,3)14(21)19-12(9-13(19)20)10-6-5-7-11(8-10)17-18-16/h5-8,12H,4,9H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	152	-38.9	n/a	n/a	n/a	n/a	n/a	n/a	25
National Institute of Biological Sciences, Beijing US Patent					Assay Description Materials: Recombinant full-length RIPK1 protein with N-terminal GST-tag (Cat#R07-34G) was purchased from SignalChem. The ADP-Glo kinase assay kit (C...				US Patent US10092529 (2018) BindingDB Entry DOI: 10.7270/Q26W9D35
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50606592 (CHEMBL5219838) Show SMILES Nc1cc(Br)cc2[nH]ncc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00303 BindingDB Entry DOI: 10.7270/Q2474G0K
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50200540 (CHEMBL3972619) Show SMILES Oc1ccc(CNc2cc(Br)cc3[nH]ncc23)cc1 Show InChI InChI=1S/C14H12BrN3O/c15-10-5-13(12-8-17-18-14(12)6-10)16-7-9-1-3-11(19)4-2-9/h1-6,8,16,19H,7H2,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00303 BindingDB Entry DOI: 10.7270/Q2474G0K
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM288690 (TC001287 | US10092529, Compound 15) Show SMILES CCC(C)(C)C(=O)N1C[C@H](O)C[C@H]1c1ccccc1 |r| Show InChI InChI=1S/C16H23NO2/c1-4-16(2,3)15(19)17-11-13(18)10-14(17)12-8-6-5-7-9-12/h5-9,13-14,18H,4,10-11H2,1-3H3/t13-,14+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	460	-36.2	n/a	n/a	n/a	n/a	n/a	n/a	25
National Institute of Biological Sciences, Beijing US Patent					Assay Description Materials: Recombinant full-length RIPK1 protein with N-terminal GST-tag (Cat#R07-34G) was purchased from SignalChem. The ADP-Glo kinase assay kit (C...				US Patent US10092529 (2018) BindingDB Entry DOI: 10.7270/Q26W9D35
					More data for this Ligand-Target Pair
Fructose-bisphosphate aldolase class 2 (Synechocystis sp. (strain PCC 6803 / Kazusa))	BDBM50531933 (CHEMBL4448356) Show SMILES Oc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C15H12ClN3O3S/c16-10-7-5-9(6-8-10)13(21)17-15(23)19-18-14(22)11-3-1-2-4-12(11)20/h1-8,20H,(H,18,22)(H2,17,19,21,23)	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
International Cooperation Base of Pesticide and Green Synthesis (Hubei) Curated by ChEMBL					Assay Description Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5 mins				Bioorg Med Chem 27: 805-812 (2019) Article DOI: 10.1016/j.bmc.2019.01.023 BindingDB Entry DOI: 10.7270/Q20P13HV
					More data for this Ligand-Target Pair
Fructose-bisphosphate aldolase class 2 (Synechocystis sp. (strain PCC 6803 / Kazusa))	BDBM50531928 (CHEMBL1551854) Show SMILES Oc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1 Show InChI InChI=1S/C15H13N3O3S/c19-12-9-5-4-8-11(12)14(21)17-18-15(22)16-13(20)10-6-2-1-3-7-10/h1-9,19H,(H,17,21)(H2,16,18,20,22)	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
International Cooperation Base of Pesticide and Green Synthesis (Hubei) Curated by ChEMBL					Assay Description Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5 mins				Bioorg Med Chem 27: 805-812 (2019) Article DOI: 10.1016/j.bmc.2019.01.023 BindingDB Entry DOI: 10.7270/Q20P13HV
					More data for this Ligand-Target Pair
Fructose-bisphosphate aldolase class 2 (Synechocystis sp. (strain PCC 6803 / Kazusa))	BDBM75654 (4-Fluoro-N-[N'-(2-hydroxy-benzoyl)-hydrazinoca...) Show SMILES Oc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(F)cc1 Show InChI InChI=1S/C15H12FN3O3S/c16-10-7-5-9(6-8-10)13(21)17-15(23)19-18-14(22)11-3-1-2-4-12(11)20/h1-8,20H,(H,18,22)(H2,17,19,21,23)	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
International Cooperation Base of Pesticide and Green Synthesis (Hubei) Curated by ChEMBL					Assay Description Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5 mins				Bioorg Med Chem 27: 805-812 (2019) Article DOI: 10.1016/j.bmc.2019.01.023 BindingDB Entry DOI: 10.7270/Q20P13HV
					More data for this Ligand-Target Pair
Fructose-bisphosphate aldolase class 2 (Synechocystis sp. (strain PCC 6803 / Kazusa))	BDBM50531928 (CHEMBL1551854) Show SMILES Oc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1 Show InChI InChI=1S/C15H13N3O3S/c19-12-9-5-4-8-11(12)14(21)17-18-15(22)16-13(20)10-6-2-1-3-7-10/h1-9,19H,(H,17,21)(H2,16,18,20,22)	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
International Cooperation Base of Pesticide and Green Synthesis (Hubei) Curated by ChEMBL					Assay Description Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 S55A mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5...				Bioorg Med Chem 27: 805-812 (2019) Article DOI: 10.1016/j.bmc.2019.01.023 BindingDB Entry DOI: 10.7270/Q20P13HV
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM288692 (TC001265 | US10092529, Compound 31) Show SMILES CCC(C)(C)C(=O)N1[C@@H](CN(C)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C16H22N2O2/c1-5-16(2,3)14(19)18-13(11-17(4)15(18)20)12-9-7-6-8-10-12/h6-10,13H,5,11H2,1-4H3/t13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.07E+3	-34.1	n/a	n/a	n/a	n/a	n/a	n/a	25
National Institute of Biological Sciences, Beijing US Patent					Assay Description Materials: Recombinant full-length RIPK1 protein with N-terminal GST-tag (Cat#R07-34G) was purchased from SignalChem. The ADP-Glo kinase assay kit (C...				US Patent US10092529 (2018) BindingDB Entry DOI: 10.7270/Q26W9D35
					More data for this Ligand-Target Pair
Fructose-bisphosphate aldolase class 2 (Synechocystis sp. (strain PCC 6803 / Kazusa))	BDBM50531934 (CHEMBL4520626) Show SMILES Oc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2)c(O)c1 Show InChI InChI=1S/C15H13N3O4S/c19-10-6-7-11(12(20)8-10)14(22)17-18-15(23)16-13(21)9-4-2-1-3-5-9/h1-8,19-20H,(H,17,22)(H2,16,18,21,23)	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
International Cooperation Base of Pesticide and Green Synthesis (Hubei) Curated by ChEMBL					Assay Description Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5 mins				Bioorg Med Chem 27: 805-812 (2019) Article DOI: 10.1016/j.bmc.2019.01.023 BindingDB Entry DOI: 10.7270/Q20P13HV
					More data for this Ligand-Target Pair
Fructose-bisphosphate aldolase class 2 (Synechocystis sp. (strain PCC 6803 / Kazusa))	BDBM50531939 (CHEMBL1424907) Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)NNC(=S)NC(=O)c1ccccc1 Show InChI InChI=1S/C15H12N4O4S/c20-13(10-5-2-1-3-6-10)16-15(24)18-17-14(21)11-7-4-8-12(9-11)19(22)23/h1-9H,(H,17,21)(H2,16,18,20,24)	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.87E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
International Cooperation Base of Pesticide and Green Synthesis (Hubei) Curated by ChEMBL					Assay Description Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5 mins				Bioorg Med Chem 27: 805-812 (2019) Article DOI: 10.1016/j.bmc.2019.01.023 BindingDB Entry DOI: 10.7270/Q20P13HV
					More data for this Ligand-Target Pair
Fructose-bisphosphate aldolase class 2 (Synechocystis sp. (strain PCC 6803 / Kazusa))	BDBM50531927 (CHEMBL4476697) Show SMILES Oc1cc(ccc1NC(=S)NC(=O)c1ccc(cc1)[N+]([O-])=O)[N+]([O-])=O Show InChI InChI=1S/C14H10N4O6S/c19-12-7-10(18(23)24)5-6-11(12)15-14(25)16-13(20)8-1-3-9(4-2-8)17(21)22/h1-7,19H,(H2,15,16,20,25)	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
International Cooperation Base of Pesticide and Green Synthesis (Hubei) Curated by ChEMBL					Assay Description Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5 mins				Bioorg Med Chem 27: 805-812 (2019) Article DOI: 10.1016/j.bmc.2019.01.023 BindingDB Entry DOI: 10.7270/Q20P13HV
					More data for this Ligand-Target Pair
Fructose-bisphosphate aldolase class 2 (Synechocystis sp. (strain PCC 6803 / Kazusa))	BDBM50531930 (CHEMBL4450278) Show SMILES Oc1cc(ccc1NC(=S)NC(=O)c1ccc(cc1)-c1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C20H15N3O4S/c24-18-12-16(23(26)27)10-11-17(18)21-20(28)22-19(25)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12,24H,(H2,21,22,25,28)	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
International Cooperation Base of Pesticide and Green Synthesis (Hubei) Curated by ChEMBL					Assay Description Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5 mins				Bioorg Med Chem 27: 805-812 (2019) Article DOI: 10.1016/j.bmc.2019.01.023 BindingDB Entry DOI: 10.7270/Q20P13HV
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50336257 (4-(3-fluorobenzylidene)-1,7-bis(4-hydroxy-3-methox...) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]\[#6](=O)-[#6](=[#6]/c2cccc(F)c2)\[#6](=O)\[#6]=[#6]\c2ccc(-[#8])c(-[#8]-[#6])c2)ccc1-[#8] Show InChI InChI=1S/C28H23FO6/c1-34-27-16-18(8-12-25(27)32)6-10-23(30)22(15-20-4-3-5-21(29)14-20)24(31)11-7-19-9-13-26(33)28(17-19)35-2/h3-17,32-33H,1-2H3/b10-6+,11-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis				Bioorg Med Chem 19: 1189-96 (2011) Article DOI: 10.1016/j.bmc.2010.12.039 BindingDB Entry DOI: 10.7270/Q2222V2X
					More data for this Ligand-Target Pair
Fructose-bisphosphate aldolase class 2 (Synechocystis sp. (strain PCC 6803 / Kazusa))	BDBM58344 (MLS001211194 | N-[N'-(4-Nitro-benzoyl)-hydrazi...) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)NNC(=S)NC(=O)c1ccccc1 Show InChI InChI=1S/C15H12N4O4S/c20-13(10-4-2-1-3-5-10)16-15(24)18-17-14(21)11-6-8-12(9-7-11)19(22)23/h1-9H,(H,17,21)(H2,16,18,20,24)	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
International Cooperation Base of Pesticide and Green Synthesis (Hubei) Curated by ChEMBL					Assay Description Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5 mins				Bioorg Med Chem 27: 805-812 (2019) Article DOI: 10.1016/j.bmc.2019.01.023 BindingDB Entry DOI: 10.7270/Q20P13HV
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50200540 (CHEMBL3972619) Show SMILES Oc1ccc(CNc2cc(Br)cc3[nH]ncc23)cc1 Show InChI InChI=1S/C14H12BrN3O/c15-10-5-13(12-8-17-18-14(12)6-10)16-7-9-1-3-11(19)4-2-9/h1-6,8,16,19H,7H2,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00303 BindingDB Entry DOI: 10.7270/Q2474G0K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fructose-bisphosphate aldolase class 2 (Synechocystis sp. (strain PCC 6803 / Kazusa))	BDBM50531935 (CHEMBL4562397) Show SMILES Brc1cccc(c1)C(=O)NNC(=S)NC(=O)c1ccccc1 Show InChI InChI=1S/C15H12BrN3O2S/c16-12-8-4-7-11(9-12)14(21)18-19-15(22)17-13(20)10-5-2-1-3-6-10/h1-9H,(H,18,21)(H2,17,19,20,22)	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
International Cooperation Base of Pesticide and Green Synthesis (Hubei) Curated by ChEMBL					Assay Description Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5 mins				Bioorg Med Chem 27: 805-812 (2019) Article DOI: 10.1016/j.bmc.2019.01.023 BindingDB Entry DOI: 10.7270/Q20P13HV
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50336258 (4-(4-fluorobenzylidene)-1,7-bis(4-hydroxy-3-methox...) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]\[#6](=O)-[#6](=[#6]/c2ccc(F)cc2)\[#6](=O)\[#6]=[#6]\c2ccc(-[#8])c(-[#8]-[#6])c2)ccc1-[#8] Show InChI InChI=1S/C28H23FO6/c1-34-27-16-19(7-13-25(27)32)5-11-23(30)22(15-18-3-9-21(29)10-4-18)24(31)12-6-20-8-14-26(33)28(17-20)35-2/h3-17,32-33H,1-2H3/b11-5+,12-6+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis				Bioorg Med Chem 19: 1189-96 (2011) Article DOI: 10.1016/j.bmc.2010.12.039 BindingDB Entry DOI: 10.7270/Q2222V2X
					More data for this Ligand-Target Pair
Fructose-bisphosphate aldolase class 2 (Synechocystis sp. (strain PCC 6803 / Kazusa))	BDBM50531927 (CHEMBL4476697) Show SMILES Oc1cc(ccc1NC(=S)NC(=O)c1ccc(cc1)[N+]([O-])=O)[N+]([O-])=O Show InChI InChI=1S/C14H10N4O6S/c19-12-7-10(18(23)24)5-6-11(12)15-14(25)16-13(20)8-1-3-9(4-2-8)17(21)22/h1-7,19H,(H2,15,16,20,25)	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
International Cooperation Base of Pesticide and Green Synthesis (Hubei) Curated by ChEMBL					Assay Description Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 R51A mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5...				Bioorg Med Chem 27: 805-812 (2019) Article DOI: 10.1016/j.bmc.2019.01.023 BindingDB Entry DOI: 10.7270/Q20P13HV
					More data for this Ligand-Target Pair
Fructose-bisphosphate aldolase class 2 (Synechocystis sp. (strain PCC 6803 / Kazusa))	BDBM50531927 (CHEMBL4476697) Show SMILES Oc1cc(ccc1NC(=S)NC(=O)c1ccc(cc1)[N+]([O-])=O)[N+]([O-])=O Show InChI InChI=1S/C14H10N4O6S/c19-12-7-10(18(23)24)5-6-11(12)15-14(25)16-13(20)8-1-3-9(4-2-8)17(21)22/h1-7,19H,(H2,15,16,20,25)	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
International Cooperation Base of Pesticide and Green Synthesis (Hubei) Curated by ChEMBL					Assay Description Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 S55A mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5...				Bioorg Med Chem 27: 805-812 (2019) Article DOI: 10.1016/j.bmc.2019.01.023 BindingDB Entry DOI: 10.7270/Q20P13HV
					More data for this Ligand-Target Pair
Fructose-bisphosphate aldolase class 2 (Synechocystis sp. (strain PCC 6803 / Kazusa))	BDBM50531936 (CHEMBL4566399) Show SMILES Fc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1ccccc1 Show InChI InChI=1S/C15H12FN3O2S/c16-12-8-6-11(7-9-12)14(21)18-19-15(22)17-13(20)10-4-2-1-3-5-10/h1-9H,(H,18,21)(H2,17,19,20,22)	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
International Cooperation Base of Pesticide and Green Synthesis (Hubei) Curated by ChEMBL					Assay Description Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5 mins				Bioorg Med Chem 27: 805-812 (2019) Article DOI: 10.1016/j.bmc.2019.01.023 BindingDB Entry DOI: 10.7270/Q20P13HV
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50336259 (4-(5-(3,4-dimethoxyphenyl)-2-(-3-(3,4-dimethoxyphe...) Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]\[#6](=O)-[#6](=[#6]/c2ccc(-[#6]=O)c(-[#6]=O)c2)\[#6](=O)\[#6]=[#6]\c2ccc(-[#8]-[#6])c(-[#8]-[#6])c2)cc1-[#8]-[#6] Show InChI InChI=1S/C32H28O8/c1-37-29-13-8-21(17-31(29)39-3)6-11-27(35)26(16-23-5-10-24(19-33)25(15-23)20-34)28(36)12-7-22-9-14-30(38-2)32(18-22)40-4/h5-20H,1-4H3/b11-6+,12-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis				Bioorg Med Chem 19: 1189-96 (2011) Article DOI: 10.1016/j.bmc.2010.12.039 BindingDB Entry DOI: 10.7270/Q2222V2X
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50336261 (4-(4-hydroxy-3-methoxybenzylidene)-1,7-bis(4-hydro...) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]\[#6](=O)-[#6](=[#6]/c2ccc(-[#8])c(-[#8]-[#6])c2)\[#6](=O)\[#6]=[#6]\c2ccc(-[#8])c(-[#8]-[#6])c2)ccc1-[#8] Show InChI InChI=1S/C29H26O8/c1-35-27-15-18(6-11-24(27)32)4-9-22(30)21(14-20-8-13-26(34)29(17-20)37-3)23(31)10-5-19-7-12-25(33)28(16-19)36-2/h4-17,32-34H,1-3H3/b9-4+,10-5+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis				Bioorg Med Chem 19: 1189-96 (2011) Article DOI: 10.1016/j.bmc.2010.12.039 BindingDB Entry DOI: 10.7270/Q2222V2X
					More data for this Ligand-Target Pair
Fructose-bisphosphate aldolase class 2 (Synechocystis sp. (strain PCC 6803 / Kazusa))	BDBM50531928 (CHEMBL1551854) Show SMILES Oc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1 Show InChI InChI=1S/C15H13N3O3S/c19-12-9-5-4-8-11(12)14(21)17-18-15(22)16-13(20)10-6-2-1-3-7-10/h1-9,19H,(H,17,21)(H2,16,18,20,22)	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
International Cooperation Base of Pesticide and Green Synthesis (Hubei) Curated by ChEMBL					Assay Description Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 R51A mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5...				Bioorg Med Chem 27: 805-812 (2019) Article DOI: 10.1016/j.bmc.2019.01.023 BindingDB Entry DOI: 10.7270/Q20P13HV
					More data for this Ligand-Target Pair
Fructose-bisphosphate aldolase class 2 (Synechocystis sp. (strain PCC 6803 / Kazusa))	BDBM50531927 (CHEMBL4476697) Show SMILES Oc1cc(ccc1NC(=S)NC(=O)c1ccc(cc1)[N+]([O-])=O)[N+]([O-])=O Show InChI InChI=1S/C14H10N4O6S/c19-12-7-10(18(23)24)5-6-11(12)15-14(25)16-13(20)8-1-3-9(4-2-8)17(21)22/h1-7,19H,(H2,15,16,20,25)	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
International Cooperation Base of Pesticide and Green Synthesis (Hubei) Curated by ChEMBL					Assay Description Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 S50A mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5...				Bioorg Med Chem 27: 805-812 (2019) Article DOI: 10.1016/j.bmc.2019.01.023 BindingDB Entry DOI: 10.7270/Q20P13HV
					More data for this Ligand-Target Pair
Fructose-bisphosphate aldolase class 2 (Synechocystis sp. (strain PCC 6803 / Kazusa))	BDBM50531928 (CHEMBL1551854) Show SMILES Oc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1 Show InChI InChI=1S/C15H13N3O3S/c19-12-9-5-4-8-11(12)14(21)17-18-15(22)16-13(20)10-6-2-1-3-7-10/h1-9,19H,(H,17,21)(H2,16,18,20,22)	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
International Cooperation Base of Pesticide and Green Synthesis (Hubei) Curated by ChEMBL					Assay Description Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 T278A mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over ...				Bioorg Med Chem 27: 805-812 (2019) Article DOI: 10.1016/j.bmc.2019.01.023 BindingDB Entry DOI: 10.7270/Q20P13HV
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50606592 (CHEMBL5219838) Show SMILES Nc1cc(Br)cc2[nH]ncc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	4.48E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00303 BindingDB Entry DOI: 10.7270/Q2474G0K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fructose-bisphosphate aldolase class 2 (Synechocystis sp. (strain PCC 6803 / Kazusa))	BDBM50531927 (CHEMBL4476697) Show SMILES Oc1cc(ccc1NC(=S)NC(=O)c1ccc(cc1)[N+]([O-])=O)[N+]([O-])=O Show InChI InChI=1S/C14H10N4O6S/c19-12-7-10(18(23)24)5-6-11(12)15-14(25)16-13(20)8-1-3-9(4-2-8)17(21)22/h1-7,19H,(H2,15,16,20,25)	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
International Cooperation Base of Pesticide and Green Synthesis (Hubei) Curated by ChEMBL					Assay Description Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 D277A mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over ...				Bioorg Med Chem 27: 805-812 (2019) Article DOI: 10.1016/j.bmc.2019.01.023 BindingDB Entry DOI: 10.7270/Q20P13HV
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50336256 (4-(3,4-dimethoxybenzylidene)-1,7-bis(4-hydroxy-3-m...) Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6](/[#6](=O)/[#6]=[#6]/c2ccc(-[#8])c(-[#8]-[#6])c2)-[#6](=O)\[#6]=[#6]\c2ccc(-[#8])c(-[#8]-[#6])c2)cc1-[#8]-[#6] Show InChI InChI=1S/C30H28O8/c1-35-27-14-9-21(18-30(27)38-4)15-22(23(31)10-5-19-7-12-25(33)28(16-19)36-2)24(32)11-6-20-8-13-26(34)29(17-20)37-3/h5-18,33-34H,1-4H3/b10-5+,11-6+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis				Bioorg Med Chem 19: 1189-96 (2011) Article DOI: 10.1016/j.bmc.2010.12.039 BindingDB Entry DOI: 10.7270/Q2222V2X
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50336251 (1,7-bis(4-fluorophenyl)-5-hydroxyhepta-1,4,6-trien...) Show SMILES Fc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(F)cc2)cc1 |w:13.13,6.6| Show InChI InChI=1S/C19H14F2O2/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-12H,13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis				Bioorg Med Chem 19: 1189-96 (2011) Article DOI: 10.1016/j.bmc.2010.12.039 BindingDB Entry DOI: 10.7270/Q2222V2X
					More data for this Ligand-Target Pair
Fructose-bisphosphate aldolase class 2 (Synechocystis sp. (strain PCC 6803 / Kazusa))	BDBM50531940 (CHEMBL4469784) Show SMILES Brc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1ccccc1 Show InChI InChI=1S/C15H12BrN3O2S/c16-12-8-6-11(7-9-12)14(21)18-19-15(22)17-13(20)10-4-2-1-3-5-10/h1-9H,(H,18,21)(H2,17,19,20,22)	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
International Cooperation Base of Pesticide and Green Synthesis (Hubei) Curated by ChEMBL					Assay Description Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5 mins				Bioorg Med Chem 27: 805-812 (2019) Article DOI: 10.1016/j.bmc.2019.01.023 BindingDB Entry DOI: 10.7270/Q20P13HV
					More data for this Ligand-Target Pair
Fructose-bisphosphate aldolase class 2 (Synechocystis sp. (strain PCC 6803 / Kazusa))	BDBM50531938 (CHEMBL4455886) Show SMILES Cc1ccc(cc1)C(=O)NC(=S)Nc1ccc(cc1O)[N+]([O-])=O Show InChI InChI=1S/C15H13N3O4S/c1-9-2-4-10(5-3-9)14(20)17-15(23)16-12-7-6-11(18(21)22)8-13(12)19/h2-8,19H,1H3,(H2,16,17,20,23)	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
International Cooperation Base of Pesticide and Green Synthesis (Hubei) Curated by ChEMBL					Assay Description Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5 mins				Bioorg Med Chem 27: 805-812 (2019) Article DOI: 10.1016/j.bmc.2019.01.023 BindingDB Entry DOI: 10.7270/Q20P13HV
					More data for this Ligand-Target Pair
Fructose-bisphosphate aldolase class 2 (Synechocystis sp. (strain PCC 6803 / Kazusa))	BDBM50531929 (CHEMBL4456429) Show SMILES Oc1cc(ccc1NC(=S)NC(=O)c1ccc(cc1)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C15H10F3N3O4S/c16-15(17,18)9-3-1-8(2-4-9)13(23)20-14(26)19-11-6-5-10(21(24)25)7-12(11)22/h1-7,22H,(H2,19,20,23,26)	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
International Cooperation Base of Pesticide and Green Synthesis (Hubei) Curated by ChEMBL					Assay Description Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5 mins				Bioorg Med Chem 27: 805-812 (2019) Article DOI: 10.1016/j.bmc.2019.01.023 BindingDB Entry DOI: 10.7270/Q20P13HV
					More data for this Ligand-Target Pair
Fructose-bisphosphate aldolase class 2 (Synechocystis sp. (strain PCC 6803 / Kazusa))	BDBM50531928 (CHEMBL1551854) Show SMILES Oc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1 Show InChI InChI=1S/C15H13N3O3S/c19-12-9-5-4-8-11(12)14(21)17-18-15(22)16-13(20)10-6-2-1-3-7-10/h1-9,19H,(H,17,21)(H2,16,18,20,22)	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
International Cooperation Base of Pesticide and Green Synthesis (Hubei) Curated by ChEMBL					Assay Description Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 D277A mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over ...				Bioorg Med Chem 27: 805-812 (2019) Article DOI: 10.1016/j.bmc.2019.01.023 BindingDB Entry DOI: 10.7270/Q20P13HV
					More data for this Ligand-Target Pair
Fructose-bisphosphate aldolase class 2 (Synechocystis sp. (strain PCC 6803 / Kazusa))	BDBM50531931 (CHEMBL4468799) Show SMILES Oc1ccc(cc1NC(=S)NC(=O)c1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C14H11N3O4S/c18-12-7-6-10(17(20)21)8-11(12)15-14(22)16-13(19)9-4-2-1-3-5-9/h1-8,18H,(H2,15,16,19,22)	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
International Cooperation Base of Pesticide and Green Synthesis (Hubei) Curated by ChEMBL					Assay Description Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5 mins				Bioorg Med Chem 27: 805-812 (2019) Article DOI: 10.1016/j.bmc.2019.01.023 BindingDB Entry DOI: 10.7270/Q20P13HV
					More data for this Ligand-Target Pair
Fructose-bisphosphate aldolase class 2 (Synechocystis sp. (strain PCC 6803 / Kazusa))	BDBM50531932 (CHEMBL4439217) Show SMILES Oc1ccc(cc1NC(=S)NC(=O)c1ccc(Cl)cc1)[N+]([O-])=O Show InChI InChI=1S/C14H10ClN3O4S/c15-9-3-1-8(2-4-9)13(20)17-14(23)16-11-7-10(18(21)22)5-6-12(11)19/h1-7,19H,(H2,16,17,20,23)	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
International Cooperation Base of Pesticide and Green Synthesis (Hubei) Curated by ChEMBL					Assay Description Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5 mins				Bioorg Med Chem 27: 805-812 (2019) Article DOI: 10.1016/j.bmc.2019.01.023 BindingDB Entry DOI: 10.7270/Q20P13HV
					More data for this Ligand-Target Pair

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