Compile Data Set for Download or QSAR

Found 56 hits with Last Name = 'williams' and Initial = 'gm'   

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
Hexokinase-4 (Rattus norvegicus)	BDBM50161668 (1-Cyclopentylmethyl-1-(4-methanesulfonyl-phenyl)-3...) Show SMILES CS(=O)(=O)c1ccc(cc1)N(CC1CCCC1)C(=O)Nc1nccs1 Show InChI InChI=1S/C17H21N3O3S2/c1-25(22,23)15-8-6-14(7-9-15)20(12-13-4-2-3-5-13)17(21)19-16-18-10-11-24-16/h6-11,13H,2-5,12H2,1H3,(H,18,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 5 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair
Toll-like receptor 2 (Homo sapiens (Human))	BDBM50526719 (CHEMBL4537583) Show SMILES CCCCCCCCCCCCCCCC(=O)OCC[C@H](CSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(O)=O)OC(=O)CCCCCCCCCCCCCCC |r| Show InChI InChI=1S/C119H211N21O25S2/c1-14-17-19-21-23-25-27-29-31-33-35-37-39-57-100(146)164-67-61-84(165-101(147)58-40-38-36-34-32-30-28-26-24-22-20-18-15-2)75-167-76-98(126-82(12)144)116(159)137-96(73-141)114(157)130-89(55-45-49-65-122)107(150)128-87(53-43-47-63-120)105(148)127-88(54-44-48-64-121)106(149)129-90(56-46-50-66-123)108(151)136-97(74-142)115(158)134-94(70-78(6)7)112(155)133-93(69-77(4)5)111(154)131-92(62-68-166-13)109(152)135-95(71-83-72-125-86-52-42-41-51-85(83)86)113(156)139-103(80(10)16-3)117(160)140-104(81(11)143)118(161)132-91(59-60-99(124)145)110(153)138-102(79(8)9)119(162)163/h41-42,51-52,72,77-81,84,87-98,102-104,125,141-143H,14-40,43-50,53-71,73-76,120-123H2,1-13H3,(H2,124,145)(H,126,144)(H,127,148)(H,128,150)(H,129,149)(H,130,157)(H,131,154)(H,132,161)(H,133,155)(H,134,158)(H,135,152)(H,136,151)(H,137,159)(H,138,153)(H,139,156)(H,140,160)(H,162,163)/t80-,81+,84+,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,102-,103-,104-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Agonist activity at human TLR2 expressed in HEK-Blue cells co-expressing NF-kappaB-SEAP reporter gene measured after 16 hrs by SEAP reporter gene ass...				J Med Chem 63: 2282-2291 (2020) Article DOI: 10.1021/acs.jmedchem.9b01044 BindingDB Entry DOI: 10.7270/Q2NV9NPC
					More data for this Ligand-Target Pair
Hexokinase-4 (Rattus norvegicus)	BDBM50161670 (3-[3-(5-Chloro-thiazol-2-yl)-1-cyclopentylmethyl-u...) Show SMILES NC(=O)c1cccc(c1)N(CC1CCCC1)C(=O)Nc1ncc(Cl)s1 Show InChI InChI=1S/C17H19ClN4O2S/c18-14-9-20-16(25-14)21-17(24)22(10-11-4-1-2-5-11)13-7-3-6-12(8-13)15(19)23/h3,6-9,11H,1-2,4-5,10H2,(H2,19,23)(H,20,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 5 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair
Hexokinase-4 (Rattus norvegicus)	BDBM50161671 (3-(5-Bromo-thiazol-2-yl)-1-(4-methanesulfonyl-phen...) Show SMILES CS(=O)(=O)c1ccc(cc1)N(Cc1nccs1)C(=O)Nc1ncc(Br)s1 Show InChI InChI=1S/C15H13BrN4O3S3/c1-26(22,23)11-4-2-10(3-5-11)20(9-13-17-6-7-24-13)15(21)19-14-18-8-12(16)25-14/h2-8H,9H2,1H3,(H,18,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.41E+4	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 5 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair
Hexokinase-4 (Rattus norvegicus)	BDBM50161672 (3-(5-Bromo-thiazol-2-yl)-1-cyclopentylmethyl-1-(6-...) Show SMILES COc1ccc(cn1)N(CC1CCCC1)C(=O)Nc1ncc(Br)s1 Show InChI InChI=1S/C16H19BrN4O2S/c1-23-14-7-6-12(8-18-14)21(10-11-4-2-3-5-11)16(22)20-15-19-9-13(17)24-15/h6-9,11H,2-5,10H2,1H3,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 5 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair
Hexokinase-4 (Rattus norvegicus)	BDBM50161673 (1-Cyclopentylmethyl-1-(4-methanesulfonyl-phenyl)-3...) Show SMILES CS(=O)(=O)c1ccc(cc1)N(CC1CCCC1)C(=O)Nc1nnc(s1)C(F)(F)F Show InChI InChI=1S/C17H19F3N4O3S2/c1-29(26,27)13-8-6-12(7-9-13)24(10-11-4-2-3-5-11)16(25)21-15-23-22-14(28-15)17(18,19)20/h6-9,11H,2-5,10H2,1H3,(H,21,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.42E+4	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 5 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair
Hexokinase-4 (Rattus norvegicus)	BDBM50161674 (3-Cyclopentyl-2-(4-methanesulfonyl-phenyl)-N-thiaz...) Show SMILES CS(=O)(=O)c1ccc(cc1)C(CC1CCCC1)C(=O)Nc1nccs1 Show InChI InChI=1S/C18H22N2O3S2/c1-25(22,23)15-8-6-14(7-9-15)16(12-13-4-2-3-5-13)17(21)20-18-19-10-11-24-18/h6-11,13,16H,2-5,12H2,1H3,(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 15 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hexokinase-4 (Rattus norvegicus)	BDBM50161676 (1-Cyclopentylmethyl-1-(3,4-difluoro-phenyl)-3-thia...) Show SMILES Fc1ccc(cc1F)N(CC1CCCC1)C(=O)Nc1nccs1 Show InChI InChI=1S/C16H17F2N3OS/c17-13-6-5-12(9-14(13)18)21(10-11-3-1-2-4-11)16(22)20-15-19-7-8-23-15/h5-9,11H,1-4,10H2,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.63E+4	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 5 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair
Hexokinase-4 (Rattus norvegicus)	BDBM50161677 (4-[3-(5-Chloro-thiazol-2-yl)-1-cyclopentylmethyl-u...) Show SMILES NS(=O)(=O)c1ccc(cc1)N(CC1CCCC1)C(=O)Nc1ncc(Cl)s1 Show InChI InChI=1S/C16H19ClN4O3S2/c17-14-9-19-15(25-14)20-16(22)21(10-11-3-1-2-4-11)12-5-7-13(8-6-12)26(18,23)24/h5-9,11H,1-4,10H2,(H2,18,23,24)(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 5 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair
Hexokinase-4 (Rattus norvegicus)	BDBM50161675 (3-(5-Chloro-thiazol-2-yl)-1-(4-methanesulfonyl-phe...) Show SMILES CS(=O)(=O)c1ccc(cc1)N(Cc1ccsc1)C(=O)Nc1ncc(Cl)s1 Show InChI InChI=1S/C16H14ClN3O3S3/c1-26(22,23)13-4-2-12(3-5-13)20(9-11-6-7-24-10-11)16(21)19-15-18-8-14(17)25-15/h2-8,10H,9H2,1H3,(H,18,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 5 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair
Hexokinase-4 (Rattus norvegicus)	BDBM50161680 (3-(5-Chloro-thiazol-2-yl)-1-furan-2-ylmethyl-1-(4-...) Show SMILES CS(=O)(=O)c1ccc(cc1)N(Cc1ccco1)C(=O)Nc1ncc(Cl)s1 Show InChI InChI=1S/C16H14ClN3O4S2/c1-26(22,23)13-6-4-11(5-7-13)20(10-12-3-2-8-24-12)16(21)19-15-18-9-14(17)25-15/h2-9H,10H2,1H3,(H,18,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.15E+4	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 5 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair
Hexokinase-4 (Rattus norvegicus)	BDBM50161681 (3-(5-Chloro-thiazol-2-yl)-1-(6-cyano-pyridin-3-yl)...) Show SMILES Clc1cnc(NC(=O)N(CC2CCCC2)c2ccc(nc2)C#N)s1 Show InChI InChI=1S/C16H16ClN5OS/c17-14-9-20-15(24-14)21-16(23)22(10-11-3-1-2-4-11)13-6-5-12(7-18)19-8-13/h5-6,8-9,11H,1-4,10H2,(H,20,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 5 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair
Hexokinase-4 (Rattus norvegicus)	BDBM50161682 (3-(5-Chloro-thiazol-2-yl)-1-cyclopentylmethyl-1-(3...) Show SMILES COc1cccc(c1)N(CC1CCCC1)C(=O)Nc1ncc(Cl)s1 Show InChI InChI=1S/C17H20ClN3O2S/c1-23-14-8-4-7-13(9-14)21(11-12-5-2-3-6-12)17(22)20-16-19-10-15(18)24-16/h4,7-10,12H,2-3,5-6,11H2,1H3,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 5 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair
Hexokinase-4 (Rattus norvegicus)	BDBM50161678 (3-(5-Chloro-thiazol-2-yl)-1-cyclopentylmethyl-1-(6...) Show SMILES COc1ccc(cn1)N(CC1CCCC1)C(=O)Nc1ncc(Cl)s1 Show InChI InChI=1S/C16H19ClN4O2S/c1-23-14-7-6-12(8-18-14)21(10-11-4-2-3-5-11)16(22)20-15-19-9-13(17)24-15/h6-9,11H,2-5,10H2,1H3,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 5 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair
Hexokinase-4 (Rattus norvegicus)	BDBM50161679 (3-(5-Chloro-thiazol-2-yl)-1-(4-cyano-phenyl)-1-cyc...) Show SMILES Clc1cnc(NC(=O)N(CC2CCCC2)c2ccc(cc2)C#N)s1 Show InChI InChI=1S/C17H17ClN4OS/c18-15-10-20-16(24-15)21-17(23)22(11-13-3-1-2-4-13)14-7-5-12(9-19)6-8-14/h5-8,10,13H,1-4,11H2,(H,20,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 5 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair
Hexokinase-4 (Rattus norvegicus)	BDBM50161684 (1-Cyclopentylmethyl-3-(6-methanesulfonyl-benzothia...) Show SMILES CS(=O)(=O)c1ccc(cc1)N(CC1CCCC1)C(=O)Nc1nc2ccc(cc2s1)S(C)(=O)=O Show InChI InChI=1S/C22H25N3O5S3/c1-32(27,28)17-9-7-16(8-10-17)25(14-15-5-3-4-6-15)22(26)24-21-23-19-12-11-18(33(2,29)30)13-20(19)31-21/h7-13,15H,3-6,14H2,1-2H3,(H,23,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.29E+4	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 5 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair
Hexokinase-4 (Rattus norvegicus)	BDBM50161685 (1-Cyclopentylmethyl-1-(6-methoxy-pyridin-3-yl)-3-t...) Show SMILES COc1ccc(cn1)N(CC1CCCC1)C(=O)Nc1nccs1 Show InChI InChI=1S/C16H20N4O2S/c1-22-14-7-6-13(10-18-14)20(11-12-4-2-3-5-12)16(21)19-15-17-8-9-23-15/h6-10,12H,2-5,11H2,1H3,(H,17,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.92E+4	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 5 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair
Hexokinase-4 (Rattus norvegicus)	BDBM50161683 (3-(5-Chloro-thiazol-2-yl)-1-(4-methanesulfonyl-phe...) Show SMILES CS(=O)(=O)c1ccc(cc1)N(CC1CCOCC1)C(=O)Nc1ncc(Cl)s1 Show InChI InChI=1S/C17H20ClN3O4S2/c1-27(23,24)14-4-2-13(3-5-14)21(11-12-6-8-25-9-7-12)17(22)20-16-19-10-15(18)26-16/h2-5,10,12H,6-9,11H2,1H3,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 5 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair
Hexokinase-4 (Rattus norvegicus)	BDBM50161674 (3-Cyclopentyl-2-(4-methanesulfonyl-phenyl)-N-thiaz...) Show SMILES CS(=O)(=O)c1ccc(cc1)C(CC1CCCC1)C(=O)Nc1nccs1 Show InChI InChI=1S/C18H22N2O3S2/c1-25(22,23)15-8-6-14(7-9-15)16(12-13-4-2-3-5-13)17(21)20-18-19-10-11-24-18/h6-11,13,16H,2-5,12H2,1H3,(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 5 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hexokinase-4 (Rattus norvegicus)	BDBM50161686 (3-(5-Chloro-thiazol-2-yl)-1-cyclopentylmethyl-1-(4...) Show SMILES FC(F)(F)c1ccc(cc1)N(CC1CCCC1)C(=O)Nc1ncc(Cl)s1 Show InChI InChI=1S/C17H17ClF3N3OS/c18-14-9-22-15(26-14)23-16(25)24(10-11-3-1-2-4-11)13-7-5-12(6-8-13)17(19,20)21/h5-9,11H,1-4,10H2,(H,22,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 5 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair
Hexokinase-4 (Rattus norvegicus)	BDBM50161687 (3-(5-Chloro-thiazol-2-yl)-1-cyclopentylmethyl-1-(4...) Show SMILES CS(=O)(=O)c1ccc(cc1)N(CC1CCCC1)C(=O)Nc1ncc(Cl)s1 Show InChI InChI=1S/C17H20ClN3O3S2/c1-26(23,24)14-8-6-13(7-9-14)21(11-12-4-2-3-5-12)17(22)20-16-19-10-15(18)25-16/h6-10,12H,2-5,11H2,1H3,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 5 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair
Hexokinase-4 (Rattus norvegicus)	BDBM50161688 (3-(5-Chloro-thiazol-2-yl)-1-(4-methanesulfonyl-phe...) Show SMILES CS(=O)(=O)c1ccc(cc1)N(Cc1cccs1)C(=O)Nc1ncc(Cl)s1 Show InChI InChI=1S/C16H14ClN3O3S3/c1-26(22,23)13-6-4-11(5-7-13)20(10-12-3-2-8-24-12)16(21)19-15-18-9-14(17)25-15/h2-9H,10H2,1H3,(H,18,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 5 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair
Hexokinase-4 (Rattus norvegicus)	BDBM50161689 (3-(5-Chloro-thiazol-2-yl)-1-(4-methanesulfonyl-phe...) Show SMILES CS(=O)(=O)c1ccc(cc1)N(CC1CCOC1)C(=O)Nc1ncc(Cl)s1 Show InChI InChI=1S/C16H18ClN3O4S2/c1-26(22,23)13-4-2-12(3-5-13)20(9-11-6-7-24-10-11)16(21)19-15-18-8-14(17)25-15/h2-5,8,11H,6-7,9-10H2,1H3,(H,18,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.19E+4	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 5 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair
Hexokinase-4 (Rattus norvegicus)	BDBM50161690 (3-(5-Chloro-thiazol-2-yl)-1-cyclopentylmethyl-1-(3...) Show SMILES Fc1ccc(cc1F)N(CC1CCCC1)C(=O)Nc1ncc(Cl)s1 Show InChI InChI=1S/C16H16ClF2N3OS/c17-14-8-20-15(24-14)21-16(23)22(9-10-3-1-2-4-10)11-5-6-12(18)13(19)7-11/h5-8,10H,1-4,9H2,(H,20,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 5 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair
Hexokinase-4 (Rattus norvegicus)	BDBM50161691 (CHEMBL180172 | N-{3-[3-(5-Chloro-thiazol-2-yl)-1-c...) Show SMILES CC(=O)Nc1cccc(c1)N(CC1CCCC1)C(=O)Nc1ncc(Cl)s1 Show InChI InChI=1S/C18H21ClN4O2S/c1-12(24)21-14-7-4-8-15(9-14)23(11-13-5-2-3-6-13)18(25)22-17-20-10-16(19)26-17/h4,7-10,13H,2-3,5-6,11H2,1H3,(H,21,24)(H,20,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 5 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair
Hexokinase-4 (Rattus norvegicus)	BDBM50161694 (3-(5-Bromo-thiazol-2-yl)-1-(4-methanesulfonyl-phen...) Show SMILES CS(=O)(=O)c1ccc(cc1)N(Cc1ccsc1)C(=O)Nc1ncc(Br)s1 Show InChI InChI=1S/C16H14BrN3O3S3/c1-26(22,23)13-4-2-12(3-5-13)20(9-11-6-7-24-10-11)16(21)19-15-18-8-14(17)25-15/h2-8,10H,9H2,1H3,(H,18,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 5 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair
Hexokinase-4 (Rattus norvegicus)	BDBM50161693 (3-(5-Chloro-thiazol-2-yl)-1-(4-methanesulfonyl-phe...) Show SMILES CS(=O)(=O)c1ccc(cc1)N(CC1CCCO1)C(=O)Nc1ncc(Cl)s1 Show InChI InChI=1S/C16H18ClN3O4S2/c1-26(22,23)13-6-4-11(5-7-13)20(10-12-3-2-8-24-12)16(21)19-15-18-9-14(17)25-15/h4-7,9,12H,2-3,8,10H2,1H3,(H,18,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.16E+4	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 5 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair
Hexokinase-4 (Rattus norvegicus)	BDBM50161668 (1-Cyclopentylmethyl-1-(4-methanesulfonyl-phenyl)-3...) Show SMILES CS(=O)(=O)c1ccc(cc1)N(CC1CCCC1)C(=O)Nc1nccs1 Show InChI InChI=1S/C17H21N3O3S2/c1-25(22,23)15-8-6-14(7-9-15)20(12-13-4-2-3-5-13)17(21)19-16-18-10-11-24-16/h6-11,13H,2-5,12H2,1H3,(H,18,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.70E+3	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 15 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair
Hexokinase-4 (Rattus norvegicus)	BDBM50161695 (1-(4-Bromo-3-fluoro-phenyl)-3-(5-chloro-thiazol-2-...) Show SMILES Fc1cc(ccc1Br)N(CC1CCCC1)C(=O)Nc1ncc(Cl)s1 Show InChI InChI=1S/C16H16BrClFN3OS/c17-12-6-5-11(7-13(12)19)22(9-10-3-1-2-4-10)16(23)21-15-20-8-14(18)24-15/h5-8,10H,1-4,9H2,(H,20,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	700	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 5 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair
Hexokinase-4 (Rattus norvegicus)	BDBM50161692 (1-(3-Chloro-4-methyl-phenyl)-3-(5-chloro-thiazol-2...) Show SMILES Cc1ccc(cc1Cl)N(CC1CCCC1)C(=O)Nc1ncc(Cl)s1 Show InChI InChI=1S/C17H19Cl2N3OS/c1-11-6-7-13(8-14(11)18)22(10-12-4-2-3-5-12)17(23)21-16-20-9-15(19)24-16/h6-9,12H,2-5,10H2,1H3,(H,20,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	400	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 5 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50251802 ((E)-2-phenyl-N-(pyrazin-2-yl)-3-(thiophen-2-yl)acr...) Show SMILES O=C(Nc1cnccn1)C(=C\c1cccs1)\c1ccccc1 Show InChI InChI=1S/C17H13N3OS/c21-17(20-16-12-18-8-9-19-16)15(11-14-7-4-10-22-14)13-5-2-1-3-6-13/h1-12H,(H,19,20,21)/b15-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a
Oxford OX4 6LT Curated by ChEMBL					Assay Description Activation of GST fused human liver glucokinase assessed as generation of NADPH by G6PDH coupled assay				J Med Chem 51: 4340-5 (2008) Article DOI: 10.1021/jm8003202 BindingDB Entry DOI: 10.7270/Q2R49QKJ
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50251450 ((R)-2-(4-(cyclopentylsulfonyl)phenyl)-N-(5-fluorot...) Show SMILES Fc1cnc(NC(=O)[C@H](CC2CCOCC2)c2ccc(cc2)S(=O)(=O)C2CCCC2)s1 |r| Show InChI InChI=1S/C22H27FN2O4S2/c23-20-14-24-22(30-20)25-21(26)19(13-15-9-11-29-12-10-15)16-5-7-18(8-6-16)31(27,28)17-3-1-2-4-17/h5-8,14-15,17,19H,1-4,9-13H2,(H,24,25,26)/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	70	n/a	n/a	n/a	n/a
Oxford OX4 6LT Curated by ChEMBL					Assay Description Activation of GST fused human liver glucokinase assessed as generation of NADPH by G6PDH coupled assay				J Med Chem 51: 4340-5 (2008) Article DOI: 10.1021/jm8003202 BindingDB Entry DOI: 10.7270/Q2R49QKJ
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50251421 ((R)-2-(4-(cyclobutylsulfonyl)phenyl)-N-(5-fluoroth...) Show SMILES Fc1cnc(NC(=O)[C@H](CC2CCOCC2)c2ccc(cc2)S(=O)(=O)C2CCC2)s1 |r| Show InChI InChI=1S/C21H25FN2O4S2/c22-19-13-23-21(29-19)24-20(25)18(12-14-8-10-28-11-9-14)15-4-6-17(7-5-15)30(26,27)16-2-1-3-16/h4-7,13-14,16,18H,1-3,8-12H2,(H,23,24,25)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	140	n/a	n/a	n/a	n/a
Oxford OX4 6LT Curated by ChEMBL					Assay Description Activation of GST fused human liver glucokinase assessed as generation of NADPH by G6PDH coupled assay				J Med Chem 51: 4340-5 (2008) Article DOI: 10.1021/jm8003202 BindingDB Entry DOI: 10.7270/Q2R49QKJ
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50251392 ((R)-N-(5-fluorothiazol-2-yl)-2-(4-(methylsulfonyl)...) Show SMILES CS(=O)(=O)c1ccc(cc1)[C@@H](CC1CCOCC1)C(=O)Nc1ncc(F)s1 |r| Show InChI InChI=1S/C18H21FN2O4S2/c1-27(23,24)14-4-2-13(3-5-14)15(10-12-6-8-25-9-7-12)17(22)21-18-20-11-16(19)26-18/h2-5,11-12,15H,6-10H2,1H3,(H,20,21,22)/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.43E+3	n/a	n/a	n/a	n/a
Oxford OX4 6LT Curated by ChEMBL					Assay Description Activation of GST fused human liver glucokinase assessed as generation of NADPH by G6PDH coupled assay				J Med Chem 51: 4340-5 (2008) Article DOI: 10.1021/jm8003202 BindingDB Entry DOI: 10.7270/Q2R49QKJ
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50251391 ((2R)-2-(4-Cyclopropanesulfonylphenyl)-N-(5-fluorot...) Show SMILES Fc1cnc(NC(=O)[C@H](CC2CCOCC2)c2ccc(cc2)S(=O)(=O)C2CC2)s1 |r| Show InChI InChI=1S/C20H23FN2O4S2/c21-18-12-22-20(28-18)23-19(24)17(11-13-7-9-27-10-8-13)14-1-3-15(4-2-14)29(25,26)16-5-6-16/h1-4,12-13,16-17H,5-11H2,(H,22,23,24)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	130	n/a	n/a	n/a	n/a
Oxford OX4 6LT Curated by ChEMBL					Assay Description Activation of GST fused human liver glucokinase assessed as generation of NADPH by G6PDH coupled assay				J Med Chem 51: 4340-5 (2008) Article DOI: 10.1021/jm8003202 BindingDB Entry DOI: 10.7270/Q2R49QKJ
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50251390 ((R)-2-(4-(cyclopropylsulfonyl)phenyl)-N-(5-methylt...) Show SMILES Cc1cnc(NC(=O)[C@H](CC2CCOCC2)c2ccc(cc2)S(=O)(=O)C2CC2)s1 |r| Show InChI InChI=1S/C21H26N2O4S2/c1-14-13-22-21(28-14)23-20(24)19(12-15-8-10-27-11-9-15)16-2-4-17(5-3-16)29(25,26)18-6-7-18/h2-5,13,15,18-19H,6-12H2,1H3,(H,22,23,24)/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	580	n/a	n/a	n/a	n/a
Oxford OX4 6LT Curated by ChEMBL					Assay Description Activation of GST fused human liver glucokinase assessed as generation of NADPH by G6PDH coupled assay				J Med Chem 51: 4340-5 (2008) Article DOI: 10.1021/jm8003202 BindingDB Entry DOI: 10.7270/Q2R49QKJ
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50251389 ((R)-2-(4-(cyclopropylsulfonyl)phenyl)-3-(tetrahydr...) Show SMILES O=C(Nc1nccs1)[C@H](CC1CCOCC1)c1ccc(cc1)S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C20H24N2O4S2/c23-19(22-20-21-9-12-27-20)18(13-14-7-10-26-11-8-14)15-1-3-16(4-2-15)28(24,25)17-5-6-17/h1-4,9,12,14,17-18H,5-8,10-11,13H2,(H,21,22,23)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	570	n/a	n/a	n/a	n/a
Oxford OX4 6LT Curated by ChEMBL					Assay Description Activation of GST fused human liver glucokinase assessed as generation of NADPH by G6PDH coupled assay				J Med Chem 51: 4340-5 (2008) Article DOI: 10.1021/jm8003202 BindingDB Entry DOI: 10.7270/Q2R49QKJ
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50251388 ((S)-2-(4-(methylsulfonyl)phenyl)-3-(tetrahydro-2H-...) Show SMILES CS(=O)(=O)c1ccc(cc1)[C@H](CC1CCOCC1)C(=O)Nc1nccs1 |r| Show InChI InChI=1S/C18H22N2O4S2/c1-26(22,23)15-4-2-14(3-5-15)16(12-13-6-9-24-10-7-13)17(21)20-18-19-8-11-25-18/h2-5,8,11,13,16H,6-7,9-10,12H2,1H3,(H,19,20,21)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Oxford OX4 6LT Curated by ChEMBL					Assay Description Activation of GST fused human liver glucokinase assessed as generation of NADPH by G6PDH coupled assay				J Med Chem 51: 4340-5 (2008) Article DOI: 10.1021/jm8003202 BindingDB Entry DOI: 10.7270/Q2R49QKJ
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50251833 ((R)-2-(4-(methylsulfonyl)phenyl)-3-(tetrahydro-2H-...) Show SMILES CS(=O)(=O)c1ccc(cc1)[C@@H](CC1CCOCC1)C(=O)Nc1nccs1 |r| Show InChI InChI=1S/C18H22N2O4S2/c1-26(22,23)15-4-2-14(3-5-15)16(12-13-6-9-24-10-7-13)17(21)20-18-19-8-11-25-18/h2-5,8,11,13,16H,6-7,9-10,12H2,1H3,(H,19,20,21)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.47E+3	n/a	n/a	n/a	n/a
Oxford OX4 6LT Curated by ChEMBL					Assay Description Activation of GST fused human liver glucokinase assessed as generation of NADPH by G6PDH coupled assay				J Med Chem 51: 4340-5 (2008) Article DOI: 10.1021/jm8003202 BindingDB Entry DOI: 10.7270/Q2R49QKJ
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50251832 (2-(4-(methylsulfonyl)phenyl)-3-(tetrahydro-2H-pyra...) Show SMILES CS(=O)(=O)c1ccc(cc1)C(CC1CCOCC1)C(=O)Nc1nccs1 Show InChI InChI=1S/C18H22N2O4S2/c1-26(22,23)15-4-2-14(3-5-15)16(12-13-6-9-24-10-7-13)17(21)20-18-19-8-11-25-18/h2-5,8,11,13,16H,6-7,9-10,12H2,1H3,(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	8.93E+3	n/a	n/a	n/a	n/a
Oxford OX4 6LT Curated by ChEMBL					Assay Description Activation of GST fused human liver glucokinase assessed as generation of NADPH by G6PDH coupled assay				J Med Chem 51: 4340-5 (2008) Article DOI: 10.1021/jm8003202 BindingDB Entry DOI: 10.7270/Q2R49QKJ
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50251831 (2-(4-(methylsulfonyl)phenyl)-3-(tetrahydro-2H-pyra...) Show SMILES CS(=O)(=O)c1ccc(cc1)C(=C/C1CCOCC1)\C(=O)Nc1nccs1 Show InChI InChI=1S/C18H20N2O4S2/c1-26(22,23)15-4-2-14(3-5-15)16(12-13-6-9-24-10-7-13)17(21)20-18-19-8-11-25-18/h2-5,8,11-13H,6-7,9-10H2,1H3,(H,19,20,21)/b16-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a
Oxford OX4 6LT Curated by ChEMBL					Assay Description Activation of GST fused human liver glucokinase assessed as generation of NADPH by G6PDH coupled assay				J Med Chem 51: 4340-5 (2008) Article DOI: 10.1021/jm8003202 BindingDB Entry DOI: 10.7270/Q2R49QKJ
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50251830 ((Z)-2-(4-(methylsulfonyl)phenyl)-N-(thiazol-2-yl)-...) Show SMILES CS(=O)(=O)c1ccc(cc1)C(=C/c1cccs1)\C(=O)Nc1nccs1 Show InChI InChI=1S/C17H14N2O3S3/c1-25(21,22)14-6-4-12(5-7-14)15(11-13-3-2-9-23-13)16(20)19-17-18-8-10-24-17/h2-11H,1H3,(H,18,19,20)/b15-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	560	n/a	n/a	n/a	n/a
Oxford OX4 6LT Curated by ChEMBL					Assay Description Activation of GST fused human liver glucokinase assessed as generation of NADPH by G6PDH coupled assay				J Med Chem 51: 4340-5 (2008) Article DOI: 10.1021/jm8003202 BindingDB Entry DOI: 10.7270/Q2R49QKJ
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50251829 (2-phenyl-N-(thiazol-2-yl)-3-(thiophen-2-yl)acrylam...) Show SMILES O=C(Nc1nccs1)C(=C\c1cccs1)\c1ccccc1 Show InChI InChI=1S/C16H12N2OS2/c19-15(18-16-17-8-10-21-16)14(11-13-7-4-9-20-13)12-5-2-1-3-6-12/h1-11H,(H,17,18,19)/b14-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.08E+4	n/a	n/a	n/a	n/a
Oxford OX4 6LT Curated by ChEMBL					Assay Description Activation of GST fused human liver glucokinase assessed as generation of NADPH by G6PDH coupled assay				J Med Chem 51: 4340-5 (2008) Article DOI: 10.1021/jm8003202 BindingDB Entry DOI: 10.7270/Q2R49QKJ
					More data for this Ligand-Target Pair
Toll-like receptor 2 (Homo sapiens (Human))	BDBM50526707 (CHEMBL4439863) Show SMILES CCCCCCCCCCCCCCCC(=O)OCC[C@@H](CSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(O)=O)OC(=O)CCCCCCCCCCCCCCC |r| Show InChI InChI=1S/C117H209N21O24S2/c1-13-16-18-20-22-24-26-28-30-32-34-36-38-56-98(143)161-66-60-82(162-99(144)57-39-37-35-33-31-29-27-25-23-21-19-17-14-2)74-164-75-84(122)103(145)134-95(72-139)113(155)128-88(54-44-48-64-120)106(148)126-86(52-42-46-62-118)104(146)125-87(53-43-47-63-119)105(147)127-89(55-45-49-65-121)107(149)135-96(73-140)114(156)132-93(69-77(6)7)111(153)131-92(68-76(4)5)110(152)129-91(61-67-163-12)108(150)133-94(70-81-71-124-85-51-41-40-50-83(81)85)112(154)137-101(79(10)15-3)115(157)138-102(80(11)141)116(158)130-90(58-59-97(123)142)109(151)136-100(78(8)9)117(159)160/h40-41,50-51,71,76-80,82,84,86-96,100-102,124,139-141H,13-39,42-49,52-70,72-75,118-122H2,1-12H3,(H2,123,142)(H,125,146)(H,126,148)(H,127,147)(H,128,155)(H,129,152)(H,130,158)(H,131,153)(H,132,156)(H,133,150)(H,134,145)(H,135,149)(H,136,151)(H,137,154)(H,138,157)(H,159,160)/t79-,80+,82-,84-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,100-,101-,102-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	46	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Agonist activity at human TLR2 expressed in HEK-Blue cells co-expressing NF-kappaB-SEAP reporter gene measured after 16 hrs by SEAP reporter gene ass...				J Med Chem 63: 2282-2291 (2020) Article DOI: 10.1021/acs.jmedchem.9b01044 BindingDB Entry DOI: 10.7270/Q2NV9NPC
					More data for this Ligand-Target Pair
Toll-like receptor 2 (Homo sapiens (Human))	BDBM50526708 (CHEMBL4552043) Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(O)=O)OC(=O)CCCCCCCCCCCCCCC |r| Show InChI InChI=1S/C118H209N21O25S2/c1-14-17-19-21-23-25-27-29-31-33-35-37-39-57-99(145)163-73-83(164-100(146)58-40-38-36-34-32-30-28-26-24-22-20-18-15-2)74-166-75-97(125-81(12)143)115(158)136-95(71-140)113(156)129-88(55-45-49-64-121)106(149)127-86(53-43-47-62-119)104(147)126-87(54-44-48-63-120)105(148)128-89(56-46-50-65-122)107(150)135-96(72-141)114(157)133-93(68-77(6)7)111(154)132-92(67-76(4)5)110(153)130-91(61-66-165-13)108(151)134-94(69-82-70-124-85-52-42-41-51-84(82)85)112(155)138-102(79(10)16-3)116(159)139-103(80(11)142)117(160)131-90(59-60-98(123)144)109(152)137-101(78(8)9)118(161)162/h41-42,51-52,70,76-80,83,86-97,101-103,124,140-142H,14-40,43-50,53-69,71-75,119-122H2,1-13H3,(H2,123,144)(H,125,143)(H,126,147)(H,127,149)(H,128,148)(H,129,156)(H,130,153)(H,131,160)(H,132,154)(H,133,157)(H,134,151)(H,135,150)(H,136,158)(H,137,152)(H,138,155)(H,139,159)(H,161,162)/t79-,80+,83+,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,101-,102-,103-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.281	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Agonist activity at human TLR2 expressed in HEK-Blue cells co-expressing NF-kappaB-SEAP reporter gene measured after 16 hrs by SEAP reporter gene ass...				J Med Chem 63: 2282-2291 (2020) Article DOI: 10.1021/acs.jmedchem.9b01044 BindingDB Entry DOI: 10.7270/Q2NV9NPC
					More data for this Ligand-Target Pair
Toll-like receptor 2 (Homo sapiens (Human))	BDBM50526709 (CHEMBL4546202) Show SMILES CCCCCCCCCCCCCCCC(=O)OCCC[C@H](CSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(O)=O)OC(=O)CCCCCCCCCCCCCCC |r| Show InChI InChI=1S/C118H211N21O24S2/c1-13-16-18-20-22-24-26-28-30-32-34-36-38-58-99(144)162-67-50-51-83(163-100(145)59-39-37-35-33-31-29-27-25-23-21-19-17-14-2)75-165-76-85(123)104(146)135-96(73-140)114(156)129-89(56-44-48-65-121)107(149)127-87(54-42-46-63-119)105(147)126-88(55-43-47-64-120)106(148)128-90(57-45-49-66-122)108(150)136-97(74-141)115(157)133-94(70-78(6)7)112(154)132-93(69-77(4)5)111(153)130-92(62-68-164-12)109(151)134-95(71-82-72-125-86-53-41-40-52-84(82)86)113(155)138-102(80(10)15-3)116(158)139-103(81(11)142)117(159)131-91(60-61-98(124)143)110(152)137-101(79(8)9)118(160)161/h40-41,52-53,72,77-81,83,85,87-97,101-103,125,140-142H,13-39,42-51,54-71,73-76,119-123H2,1-12H3,(H2,124,143)(H,126,147)(H,127,149)(H,128,148)(H,129,156)(H,130,153)(H,131,159)(H,132,154)(H,133,157)(H,134,151)(H,135,146)(H,136,150)(H,137,152)(H,138,155)(H,139,158)(H,160,161)/t80-,81+,83+,85-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,101-,102-,103-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.383	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Agonist activity at human TLR2 expressed in HEK-Blue cells co-expressing NF-kappaB-SEAP reporter gene measured after 16 hrs by SEAP reporter gene ass...				J Med Chem 63: 2282-2291 (2020) Article DOI: 10.1021/acs.jmedchem.9b01044 BindingDB Entry DOI: 10.7270/Q2NV9NPC
					More data for this Ligand-Target Pair
Toll-like receptor 2 (Homo sapiens (Human))	BDBM50526710 (CHEMBL4560927) Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(O)=O)OC(=O)CCCCCCCCCCCCCCC |r| Show InChI InChI=1S/C116H207N21O24S2/c1-13-16-18-20-22-24-26-28-30-32-34-36-38-56-97(142)160-72-81(161-98(143)57-39-37-35-33-31-29-27-25-23-21-19-17-14-2)73-163-74-83(121)102(144)133-94(70-138)112(154)127-87(54-44-48-63-119)105(147)125-85(52-42-46-61-117)103(145)124-86(53-43-47-62-118)104(146)126-88(55-45-49-64-120)106(148)134-95(71-139)113(155)131-92(67-76(6)7)110(152)130-91(66-75(4)5)109(151)128-90(60-65-162-12)107(149)132-93(68-80-69-123-84-51-41-40-50-82(80)84)111(153)136-100(78(10)15-3)114(156)137-101(79(11)140)115(157)129-89(58-59-96(122)141)108(150)135-99(77(8)9)116(158)159/h40-41,50-51,69,75-79,81,83,85-95,99-101,123,138-140H,13-39,42-49,52-68,70-74,117-121H2,1-12H3,(H2,122,141)(H,124,145)(H,125,147)(H,126,146)(H,127,154)(H,128,151)(H,129,157)(H,130,152)(H,131,155)(H,132,149)(H,133,144)(H,134,148)(H,135,150)(H,136,153)(H,137,156)(H,158,159)/t78-,79+,81+,83-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,99-,100-,101-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.468	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Agonist activity at human TLR2 expressed in HEK-Blue cells co-expressing NF-kappaB-SEAP reporter gene measured after 16 hrs by SEAP reporter gene ass...				J Med Chem 63: 2282-2291 (2020) Article DOI: 10.1021/acs.jmedchem.9b01044 BindingDB Entry DOI: 10.7270/Q2NV9NPC
					More data for this Ligand-Target Pair
Toll-like receptor 2 (Homo sapiens (Human))	BDBM50526711 (CHEMBL4455047) Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@@H](CSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(O)=O)OC(=O)CCCCCCCCCCCCCCC |r| Show InChI InChI=1S/C118H209N21O25S2/c1-14-17-19-21-23-25-27-29-31-33-35-37-39-57-99(145)163-73-83(164-100(146)58-40-38-36-34-32-30-28-26-24-22-20-18-15-2)74-166-75-97(125-81(12)143)115(158)136-95(71-140)113(156)129-88(55-45-49-64-121)106(149)127-86(53-43-47-62-119)104(147)126-87(54-44-48-63-120)105(148)128-89(56-46-50-65-122)107(150)135-96(72-141)114(157)133-93(68-77(6)7)111(154)132-92(67-76(4)5)110(153)130-91(61-66-165-13)108(151)134-94(69-82-70-124-85-52-42-41-51-84(82)85)112(155)138-102(79(10)16-3)116(159)139-103(80(11)142)117(160)131-90(59-60-98(123)144)109(152)137-101(78(8)9)118(161)162/h41-42,51-52,70,76-80,83,86-97,101-103,124,140-142H,14-40,43-50,53-69,71-75,119-122H2,1-13H3,(H2,123,144)(H,125,143)(H,126,147)(H,127,149)(H,128,148)(H,129,156)(H,130,153)(H,131,160)(H,132,154)(H,133,157)(H,134,151)(H,135,150)(H,136,158)(H,137,152)(H,138,155)(H,139,159)(H,161,162)/t79-,80+,83-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,101-,102-,103-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	151	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Agonist activity at human TLR2 expressed in HEK-Blue cells co-expressing NF-kappaB-SEAP reporter gene measured after 16 hrs by SEAP reporter gene ass...				J Med Chem 63: 2282-2291 (2020) Article DOI: 10.1021/acs.jmedchem.9b01044 BindingDB Entry DOI: 10.7270/Q2NV9NPC
					More data for this Ligand-Target Pair
Toll-like receptor 2 (Homo sapiens (Human))	BDBM50526712 (CHEMBL4463804) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](CSC[C@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C132H237N21O25S2/c1-14-18-21-24-27-30-33-36-39-42-45-48-51-70-112(158)139-110(89-180-88-96(178-114(160)72-53-50-47-44-41-38-35-32-29-26-23-20-16-3)87-177-113(159)71-52-49-46-43-40-37-34-31-28-25-22-19-15-2)129(172)150-108(85-154)127(170)143-101(68-58-62-78-135)120(163)141-99(66-56-60-76-133)118(161)140-100(67-57-61-77-134)119(162)142-102(69-59-63-79-136)121(164)149-109(86-155)128(171)147-106(82-91(7)8)125(168)146-105(81-90(5)6)124(167)144-104(75-80-179-13)122(165)148-107(83-95-84-138-98-65-55-54-64-97(95)98)126(169)152-116(93(11)17-4)130(173)153-117(94(12)156)131(174)145-103(73-74-111(137)157)123(166)151-115(92(9)10)132(175)176/h54-55,64-65,84,90-94,96,99-110,115-117,138,154-156H,14-53,56-63,66-83,85-89,133-136H2,1-13H3,(H2,137,157)(H,139,158)(H,140,161)(H,141,163)(H,142,162)(H,143,170)(H,144,167)(H,145,174)(H,146,168)(H,147,171)(H,148,165)(H,149,164)(H,150,172)(H,151,166)(H,152,169)(H,153,173)(H,175,176)/t93-,94+,96-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,115-,116-,117-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	161	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Agonist activity at human TLR2 expressed in HEK-Blue cells co-expressing NF-kappaB-SEAP reporter gene measured after 16 hrs by SEAP reporter gene ass...				J Med Chem 63: 2282-2291 (2020) Article DOI: 10.1021/acs.jmedchem.9b01044 BindingDB Entry DOI: 10.7270/Q2NV9NPC
					More data for this Ligand-Target Pair
Toll-like receptor 2 (Homo sapiens (Human))	BDBM50526713 (CHEMBL4461230) Show SMILES CCCCCCCCCCCCCCCC(=O)OCC[C@H](CSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(O)=O)OC(=O)CCCCCCCCCCCCCCC |r| Show InChI InChI=1S/C117H209N21O24S2/c1-13-16-18-20-22-24-26-28-30-32-34-36-38-56-98(143)161-66-60-82(162-99(144)57-39-37-35-33-31-29-27-25-23-21-19-17-14-2)74-164-75-84(122)103(145)134-95(72-139)113(155)128-88(54-44-48-64-120)106(148)126-86(52-42-46-62-118)104(146)125-87(53-43-47-63-119)105(147)127-89(55-45-49-65-121)107(149)135-96(73-140)114(156)132-93(69-77(6)7)111(153)131-92(68-76(4)5)110(152)129-91(61-67-163-12)108(150)133-94(70-81-71-124-85-51-41-40-50-83(81)85)112(154)137-101(79(10)15-3)115(157)138-102(80(11)141)116(158)130-90(58-59-97(123)142)109(151)136-100(78(8)9)117(159)160/h40-41,50-51,71,76-80,82,84,86-96,100-102,124,139-141H,13-39,42-49,52-70,72-75,118-122H2,1-12H3,(H2,123,142)(H,125,146)(H,126,148)(H,127,147)(H,128,155)(H,129,152)(H,130,158)(H,131,153)(H,132,156)(H,133,150)(H,134,145)(H,135,149)(H,136,151)(H,137,154)(H,138,157)(H,159,160)/t79-,80+,82+,84-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,100-,101-,102-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.609	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Agonist activity at human TLR2 expressed in HEK-Blue cells co-expressing NF-kappaB-SEAP reporter gene measured after 16 hrs by SEAP reporter gene ass...				J Med Chem 63: 2282-2291 (2020) Article DOI: 10.1021/acs.jmedchem.9b01044 BindingDB Entry DOI: 10.7270/Q2NV9NPC
					More data for this Ligand-Target Pair

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