Compile Data Set for Download or QSAR

Found 12 hits of kd data for polymerid = 10491,4164   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Hexokinase-4 (Homo sapiens (Human))	BDBM50165031 (6-({3-isopropoxy-5-[2-(3-thienyl)ethoxy]benzoyl}am...) Show SMILES CC(C)Oc1cc(OCCc2ccsc2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O Show InChI InChI=1S/C22H22N2O5S/c1-14(2)29-19-10-17(9-18(11-19)28-7-5-15-6-8-30-13-15)21(25)24-20-4-3-16(12-23-20)22(26)27/h3-4,6,8-14H,5,7H2,1-2H3,(H,26,27)(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a
Florida State University Curated by ChEMBL					Assay Description Binding affinity to recombinant wild-type human pancreatic glucokinase expressed in Escherichia coli K-12 at 100 uM by isothermal titration calorimet...				ACS Med Chem Lett 4: (2013) Article DOI: 10.1021/ml400061x BindingDB Entry DOI: 10.7270/Q2T72JTM
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM34071 (benzamide derivative, 6) Show SMILES Cn1ccnc1Sc1cc(C(=O)Nc2nccs2)c(N)cc1F Show InChI InChI=1S/C14H12FN5OS2/c1-20-4-2-18-14(20)23-11-6-8(10(16)7-9(11)15)12(21)19-13-17-3-5-22-13/h2-7H,16H2,1H3,(H,17,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Binding affinity to human pancreatic N-terminal His6-tagged glucokinase isoform 1 expressed in Escherichia coli BL21(DE3) by stopped-flow fluorometri...				J Med Chem 59: 7167-76 (2016) Article DOI: 10.1021/acs.jmedchem.6b00632 BindingDB Entry DOI: 10.7270/Q2Z60SHM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hexokinase-4 (Homo sapiens (Human))	BDBM50533461 (CHEMBL4483049) Show SMILES CS(=O)(=O)c1ccc(cc1)[C@]1(C[C@H]1C1CCCCC1)C(=O)Nc1nccs1 |r| Show InChI InChI=1S/C20H24N2O3S2/c1-27(24,25)16-9-7-15(8-10-16)20(18(23)22-19-21-11-12-26-19)13-17(20)14-5-3-2-4-6-14/h7-12,14,17H,2-6,13H2,1H3,(H,21,22,23)/t17-,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Displacement of TAFMT from human pancreatic N-terminal His6-tagged glucokinase isoform 1 expressed in Escherichia coli BL21(DE3) by stopped-flow fluo...				J Med Chem 59: 7167-76 (2016) Article DOI: 10.1021/acs.jmedchem.6b00632 BindingDB Entry DOI: 10.7270/Q2Z60SHM
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50248442 (2-amino-5-(4-methyl-4H-1,2,4-triazol-3-ylthio)-N-(...) Show SMILES Cc1csc(NC(=O)c2cc(Sc3nncn3C)ccc2N)n1 Show InChI InChI=1S/C14H14N6OS2/c1-8-6-22-13(17-8)18-12(21)10-5-9(3-4-11(10)15)23-14-19-16-7-20(14)2/h3-7H,15H2,1-2H3,(H,17,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a
Florida State University Curated by ChEMBL					Assay Description Binding affinity to recombinant wild-type human pancreatic glucokinase expressed in Escherichia coli K-12 at 11 uM by isothermal titration calorimetr...				ACS Med Chem Lett 4: (2013) Article DOI: 10.1021/ml400061x BindingDB Entry DOI: 10.7270/Q2T72JTM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hexokinase-4 (Homo sapiens (Human))	BDBM50346020 ((2R)-3-Cyclopentyl-2-(4-methanesulfonylphenyl)-N-t...) Show SMILES CS(=O)(=O)c1ccc(cc1)[C@@H](CC1CCCC1)C(=O)Nc1nccs1 |r| 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)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a
Florida State University Curated by ChEMBL					Assay Description Binding affinity to recombinant wild-type human pancreatic glucokinase expressed in Escherichia coli K-12 by isothermal titration calorimetry in pres...				ACS Med Chem Lett 4: (2013) Article DOI: 10.1021/ml400061x BindingDB Entry DOI: 10.7270/Q2T72JTM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hexokinase-4 (Homo sapiens (Human))	BDBM50533462 (CHEMBL4534484) Show SMILES CC(C)Oc1cc(OC(C)C)cc(c1)C(=O)Nc1ccc(\C=C\C(O)=O)cn1 Show InChI InChI=1S/C21H24N2O5/c1-13(2)27-17-9-16(10-18(11-17)28-14(3)4)21(26)23-19-7-5-15(12-22-19)6-8-20(24)25/h5-14H,1-4H3,(H,24,25)(H,22,23,26)/b8-6+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Displacement of TAFMT from human pancreatic N-terminal His6-tagged glucokinase isoform 1 expressed in Escherichia coli BL21(DE3) by stopped-flow fluo...				J Med Chem 59: 7167-76 (2016) Article DOI: 10.1021/acs.jmedchem.6b00632 BindingDB Entry DOI: 10.7270/Q2Z60SHM
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50346026 ((R)-2-(3-chloro-4-(methylsulfonyl)phenyl)-3-((R)-3...) Show SMILES CS(=O)(=O)c1ccc(cc1Cl)[C@@H](C[C@H]1CCC(=O)C1)C(=O)Nc1cnccn1 |r| Show InChI InChI=1S/C19H20ClN3O4S/c1-28(26,27)17-5-3-13(10-16(17)20)15(9-12-2-4-14(24)8-12)19(25)23-18-11-21-6-7-22-18/h3,5-7,10-12,15H,2,4,8-9H2,1H3,(H,22,23,25)/t12-,15+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Displacement of TAFMT from human pancreatic N-terminal His6-tagged glucokinase isoform 1 expressed in Escherichia coli BL21(DE3) by stopped-flow fluo...				J Med Chem 59: 7167-76 (2016) Article DOI: 10.1021/acs.jmedchem.6b00632 BindingDB Entry DOI: 10.7270/Q2Z60SHM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hexokinase-4 (Homo sapiens (Human))	BDBM50533463 (CHEMBL4522750) Show SMILES [H][C@]12Cc3ccccc3[C@@]1(C)[C@@H]2C(=O)Nc1ccc(cn1)C(O)=O |r| Show InChI InChI=1S/C18H16N2O3/c1-18-12-5-3-2-4-10(12)8-13(18)15(18)16(21)20-14-7-6-11(9-19-14)17(22)23/h2-7,9,13,15H,8H2,1H3,(H,22,23)(H,19,20,21)/t13-,15+,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Displacement of TAFMT from human pancreatic N-terminal His6-tagged glucokinase isoform 1 expressed in Escherichia coli BL21(DE3) by stopped-flow fluo...				J Med Chem 59: 7167-76 (2016) Article DOI: 10.1021/acs.jmedchem.6b00632 BindingDB Entry DOI: 10.7270/Q2Z60SHM
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50320996 (6-(3-((S)-1-methoxypropan-2-yloxy)-5-((S)-1-phenyl...) Show SMILES COC[C@H](C)Oc1cc(O[C@@H](C)Cc2ccccc2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O Show InChI InChI=1S/C26H28N2O6/c1-17(11-19-7-5-4-6-8-19)33-22-12-21(13-23(14-22)34-18(2)16-32-3)25(29)28-24-10-9-20(15-27-24)26(30)31/h4-10,12-15,17-18H,11,16H2,1-3H3,(H,30,31)(H,27,28,29)/t17-,18-/m0/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	3.30E+3	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Displacement of TAFMT from human pancreatic N-terminal His6-tagged glucokinase isoform 1 expressed in Escherichia coli BL21(DE3) by stopped-flow fluo...				J Med Chem 59: 7167-76 (2016) Article DOI: 10.1021/acs.jmedchem.6b00632 BindingDB Entry DOI: 10.7270/Q2Z60SHM
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50533464 (CHEMBL4457828) Show SMILES [H][C@@]12[C@@H](C(=O)Nc3ccc(cn3)C(O)=O)[C@]1(C)Cc1ccccc21 |r| Show InChI InChI=1S/C18H16N2O3/c1-18-8-10-4-2-3-5-12(10)14(18)15(18)16(21)20-13-7-6-11(9-19-13)17(22)23/h2-7,9,14-15H,8H2,1H3,(H,22,23)(H,19,20,21)/t14-,15+,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Displacement of TAFMT from human pancreatic N-terminal His6-tagged glucokinase isoform 1 expressed in Escherichia coli BL21(DE3) by stopped-flow fluo...				J Med Chem 59: 7167-76 (2016) Article DOI: 10.1021/acs.jmedchem.6b00632 BindingDB Entry DOI: 10.7270/Q2Z60SHM
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50500205 (CHEMBL3746456) Show SMILES Clc1ccccc1[C@@H](NS(=O)(=O)c1ccc2OCCCOc2c1)c1cc2ccccc2s1 |r| Show InChI InChI=1S/C24H20ClNO4S2/c25-19-8-3-2-7-18(19)24(23-14-16-6-1-4-9-22(16)31-23)26-32(27,28)17-10-11-20-21(15-17)30-13-5-12-29-20/h1-4,6-11,14-15,24,26H,5,12-13H2/t24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
Amgen Curated by ChEMBL					Assay Description Binding affinity to human glucokinase by surface plasmon resonance analysis				J Med Chem 58: 9663-79 (2015) Article DOI: 10.1021/acs.jmedchem.5b01367 BindingDB Entry DOI: 10.7270/Q27M0BZP
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50500197 (CHEMBL3746823) Show SMILES O=S(=O)(NC(c1cc2ccccc2o1)c1ccccc1)c1ccc2OCCCOc2c1 Show InChI InChI=1S/C24H21NO5S/c26-31(27,19-11-12-21-22(16-19)29-14-6-13-28-21)25-24(17-7-2-1-3-8-17)23-15-18-9-4-5-10-20(18)30-23/h1-5,7-12,15-16,24-25H,6,13-14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a
Amgen Curated by ChEMBL					Assay Description Binding affinity to human glucokinase by surface plasmon resonance analysis				J Med Chem 58: 9663-79 (2015) Article DOI: 10.1021/acs.jmedchem.5b01367 BindingDB Entry DOI: 10.7270/Q27M0BZP
					More data for this Ligand-Target Pair