Compile Data Set for Download or QSAR

Found 65 hits with Last Name = 'caulkett' and Initial = 'pw'   

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
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM21190 (4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...) Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by PDSP Ki Database									Br J Pharmacol 115: 1096-102 (1995) Article DOI: 10.1111/j.1476-5381.1995.tb15923.x BindingDB Entry DOI: 10.7270/Q2377766
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	4.57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by PDSP Ki Database									Br J Pharmacol 115: 1096-102 (1995) Article DOI: 10.1111/j.1476-5381.1995.tb15923.x BindingDB Entry DOI: 10.7270/Q2377766
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50006730 ((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...) Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	15.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by PDSP Ki Database									Br J Pharmacol 115: 1096-102 (1995) Article DOI: 10.1111/j.1476-5381.1995.tb15923.x BindingDB Entry DOI: 10.7270/Q2377766
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by PDSP Ki Database									Br J Pharmacol 115: 1096-102 (1995) Article DOI: 10.1111/j.1476-5381.1995.tb15923.x BindingDB Entry DOI: 10.7270/Q2377766
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by PDSP Ki Database									Br J Pharmacol 115: 1096-102 (1995) Article DOI: 10.1111/j.1476-5381.1995.tb15923.x BindingDB Entry DOI: 10.7270/Q2377766
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	178	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by PDSP Ki Database									Br J Pharmacol 115: 1096-102 (1995) Article DOI: 10.1111/j.1476-5381.1995.tb15923.x BindingDB Entry DOI: 10.7270/Q2377766
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM35804 ((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 Show InChI InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	335	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by PDSP Ki Database									Br J Pharmacol 115: 1096-102 (1995) Article DOI: 10.1111/j.1476-5381.1995.tb15923.x BindingDB Entry DOI: 10.7270/Q2377766
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50003588 ((2-CADO) 2-(6-Amino-2-chloro-purin-9-yl)-5-hydroxy...) Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@H](O)C1O Show InChI InChI=1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5+,6?,9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	913	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by PDSP Ki Database									Br J Pharmacol 115: 1096-102 (1995) Article DOI: 10.1111/j.1476-5381.1995.tb15923.x BindingDB Entry DOI: 10.7270/Q2377766
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50006730 ((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...) Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	989	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by PDSP Ki Database									Br J Pharmacol 115: 1096-102 (1995) Article DOI: 10.1111/j.1476-5381.1995.tb15923.x BindingDB Entry DOI: 10.7270/Q2377766
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM21190 (4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...) Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2.04E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by PDSP Ki Database									Br J Pharmacol 115: 1096-102 (1995) Article DOI: 10.1111/j.1476-5381.1995.tb15923.x BindingDB Entry DOI: 10.7270/Q2377766
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM35804 ((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 Show InChI InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by PDSP Ki Database									Br J Pharmacol 115: 1096-102 (1995) Article DOI: 10.1111/j.1476-5381.1995.tb15923.x BindingDB Entry DOI: 10.7270/Q2377766
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM82023 (4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(O)(=O)=O Show InChI InChI=1S/C13H12N4O5S/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)7-3-5-8(6-4-7)23(20,21)22/h3-6H,1-2H3,(H,14,15)(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by PDSP Ki Database									Br J Pharmacol 115: 1096-102 (1995) Article DOI: 10.1111/j.1476-5381.1995.tb15923.x BindingDB Entry DOI: 10.7270/Q2377766
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM82015 (1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1 Show InChI InChI=1S/C13H12N4O2/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by PDSP Ki Database									Br J Pharmacol 115: 1096-102 (1995) Article DOI: 10.1111/j.1476-5381.1995.tb15923.x BindingDB Entry DOI: 10.7270/Q2377766
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50165030 (6-(3,5-Bis-benzyloxy-benzoylamino)-nicotinic acid ...) Show SMILES OC(=O)c1ccc(NC(=O)c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)nc1 Show InChI InChI=1S/C27H22N2O5/c30-26(29-25-12-11-21(16-28-25)27(31)32)22-13-23(33-17-19-7-3-1-4-8-19)15-24(14-22)34-18-20-9-5-2-6-10-20/h1-16H,17-18H2,(H,31,32)(H,28,29,30)	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	400	n/a	n/a	n/a	n/a
AstraZeneca UK Curated by ChEMBL					Assay Description Potency in Glucokinase activation assay				Bioorg Med Chem Lett 15: 2103-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.087 BindingDB Entry DOI: 10.7270/Q28S4PFN
					More data for this Ligand-Target Pair
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	n/a	90	n/a	n/a	n/a	n/a
AstraZeneca UK Curated by ChEMBL					Assay Description Potency in Glucokinase activation assay				Bioorg Med Chem Lett 15: 2103-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.087 BindingDB Entry DOI: 10.7270/Q28S4PFN
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50165032 (6-(2-Benzyloxy-5-methylsulfanyl-phenylcarbamoyl)-n...) Show SMILES CSc1ccc(OCc2ccccc2)c(NC(=O)c2ccc(cn2)C(O)=O)c1 Show InChI InChI=1S/C21H18N2O4S/c1-28-16-8-10-19(27-13-14-5-3-2-4-6-14)18(11-16)23-20(24)17-9-7-15(12-22-17)21(25)26/h2-12H,13H2,1H3,(H,23,24)(H,25,26)	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	>1.00E+4	n/a	n/a	n/a	n/a
AstraZeneca UK Curated by ChEMBL					Assay Description Potency in Glucokinase activation assay				Bioorg Med Chem Lett 15: 2103-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.087 BindingDB Entry DOI: 10.7270/Q28S4PFN
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50165034 (6-[3-Isopropoxy-5-(2-pyridin-4-yl-ethoxy)-benzoyla...) Show SMILES CC(C)Oc1cc(OCCc2ccncc2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O Show InChI InChI=1S/C23H23N3O5/c1-15(2)31-20-12-18(22(27)26-21-4-3-17(14-25-21)23(28)29)11-19(13-20)30-10-7-16-5-8-24-9-6-16/h3-6,8-9,11-15H,7,10H2,1-2H3,(H,28,29)(H,25,26,27)	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	1.78E+3	n/a	n/a	n/a	n/a
AstraZeneca UK Curated by ChEMBL					Assay Description Potency in Glucokinase activation assay				Bioorg Med Chem Lett 15: 2103-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.087 BindingDB Entry DOI: 10.7270/Q28S4PFN
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50165033 (6-[2,3-Bis-(2-chloro-benzyloxy)-benzoylamino]-nico...) Show SMILES OC(=O)c1ccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2OCc2ccccc2Cl)nc1 Show InChI InChI=1S/C27H20Cl2N2O5/c28-21-9-3-1-6-18(21)15-35-23-11-5-8-20(25(23)36-16-19-7-2-4-10-22(19)29)26(32)31-24-13-12-17(14-30-24)27(33)34/h1-14H,15-16H2,(H,33,34)(H,30,31,32)	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
AstraZeneca UK Curated by ChEMBL					Assay Description Potency in Glucokinase activation assay				Bioorg Med Chem Lett 15: 2103-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.087 BindingDB Entry DOI: 10.7270/Q28S4PFN
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50165035 (6-[3-(2-Fluoro-benzyloxy)-5-isopropoxy-benzoylamin...) Show SMILES CC(C)Oc1cc(OCc2ccccc2F)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O Show InChI InChI=1S/C23H21FN2O5/c1-14(2)31-19-10-17(22(27)26-21-8-7-15(12-25-21)23(28)29)9-18(11-19)30-13-16-5-3-4-6-20(16)24/h3-12,14H,13H2,1-2H3,(H,28,29)(H,25,26,27)	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	100	n/a	n/a	n/a	n/a
AstraZeneca UK Curated by ChEMBL					Assay Description Potency in Glucokinase activation assay				Bioorg Med Chem Lett 15: 2103-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.087 BindingDB Entry DOI: 10.7270/Q28S4PFN
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50165037 (6-(3-Isobutoxy-5-isopropoxy-benzoylamino)-nicotini...) Show SMILES CC(C)COc1cc(OC(C)C)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O Show InChI InChI=1S/C20H24N2O5/c1-12(2)11-26-16-7-15(8-17(9-16)27-13(3)4)19(23)22-18-6-5-14(10-21-18)20(24)25/h5-10,12-13H,11H2,1-4H3,(H,24,25)(H,21,22,23)	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
AstraZeneca UK Curated by ChEMBL					Assay Description Potency in Glucokinase activation assay				Bioorg Med Chem Lett 15: 2103-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.087 BindingDB Entry DOI: 10.7270/Q28S4PFN
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50165036 (6-(3,5-Bis-benzyloxy-phenylcarbamoyl)-nicotinic ac...) Show SMILES OC(=O)c1ccc(nc1)C(=O)Nc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 Show InChI InChI=1S/C27H22N2O5/c30-26(25-12-11-21(16-28-25)27(31)32)29-22-13-23(33-17-19-7-3-1-4-8-19)15-24(14-22)34-18-20-9-5-2-6-10-20/h1-16H,17-18H2,(H,29,30)(H,31,32)	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	>1.00E+4	n/a	n/a	n/a	n/a
AstraZeneca UK Curated by ChEMBL					Assay Description Potency in Glucokinase activation assay				Bioorg Med Chem Lett 15: 2103-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.087 BindingDB Entry DOI: 10.7270/Q28S4PFN
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50165038 (6-(3,5-Bis-benzyloxy-benzyloxy)-nicotinic acid | C...) Show SMILES OC(=O)c1ccc(OCc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)nc1 Show InChI InChI=1S/C27H23NO5/c29-27(30)23-11-12-26(28-16-23)33-19-22-13-24(31-17-20-7-3-1-4-8-20)15-25(14-22)32-18-21-9-5-2-6-10-21/h1-16H,17-19H2,(H,29,30)	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	>1.00E+4	n/a	n/a	n/a	n/a
AstraZeneca UK Curated by ChEMBL					Assay Description Potency in Glucokinase activation assay				Bioorg Med Chem Lett 15: 2103-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.087 BindingDB Entry DOI: 10.7270/Q28S4PFN
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50165040 (6-(3-Isopropoxy-5-phenethyloxy-benzoylamino)-nicot...) Show SMILES CC(C)Oc1cc(OCCc2ccccc2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O Show InChI InChI=1S/C24H24N2O5/c1-16(2)31-21-13-19(23(27)26-22-9-8-18(15-25-22)24(28)29)12-20(14-21)30-11-10-17-6-4-3-5-7-17/h3-9,12-16H,10-11H2,1-2H3,(H,28,29)(H,25,26,27)	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	130	n/a	n/a	n/a	n/a
AstraZeneca UK Curated by ChEMBL					Assay Description Potency in Glucokinase activation assay				Bioorg Med Chem Lett 15: 2103-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.087 BindingDB Entry DOI: 10.7270/Q28S4PFN
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50165039 (6-[3-(2-Chloro-benzyloxy)-benzoylamino]-nicotinic ...) Show SMILES OC(=O)c1ccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)nc1 Show InChI InChI=1S/C20H15ClN2O4/c21-17-7-2-1-4-15(17)12-27-16-6-3-5-13(10-16)19(24)23-18-9-8-14(11-22-18)20(25)26/h1-11H,12H2,(H,25,26)(H,22,23,24)	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	910	n/a	n/a	n/a	n/a
AstraZeneca UK Curated by ChEMBL					Assay Description Potency in Glucokinase activation assay				Bioorg Med Chem Lett 15: 2103-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.087 BindingDB Entry DOI: 10.7270/Q28S4PFN
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50165041 (6-(3-(benzyloxy)-5-isopropoxybenzamido)nicotinic a...) Show SMILES CC(C)Oc1cc(OCc2ccccc2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O Show InChI InChI=1S/C23H22N2O5/c1-15(2)30-20-11-18(10-19(12-20)29-14-16-6-4-3-5-7-16)22(26)25-21-9-8-17(13-24-21)23(27)28/h3-13,15H,14H2,1-2H3,(H,27,28)(H,24,25,26)	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	290	n/a	n/a	n/a	n/a
AstraZeneca UK Curated by ChEMBL					Assay Description Potency in Glucokinase activation assay				Bioorg Med Chem Lett 15: 2103-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.087 BindingDB Entry DOI: 10.7270/Q28S4PFN
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50165042 (6-(3,5-Dimethoxy-phenoxymethyl)-nicotinic acid | C...) Show SMILES COc1cc(OC)cc(OCc2ccc(cn2)C(O)=O)c1 Show InChI InChI=1S/C15H15NO5/c1-19-12-5-13(20-2)7-14(6-12)21-9-11-4-3-10(8-16-11)15(17)18/h3-8H,9H2,1-2H3,(H,17,18)	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	>1.00E+4	n/a	n/a	n/a	n/a
AstraZeneca UK Curated by ChEMBL					Assay Description Potency in Glucokinase activation assay				Bioorg Med Chem Lett 15: 2103-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.087 BindingDB Entry DOI: 10.7270/Q28S4PFN
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50165044 (6-(3-Cyclopentylmethoxy-5-isopropoxy-benzoylamino)...) Show SMILES CC(C)Oc1cc(OCC2CCCC2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O Show InChI InChI=1S/C22H26N2O5/c1-14(2)29-19-10-17(9-18(11-19)28-13-15-5-3-4-6-15)21(25)24-20-8-7-16(12-23-20)22(26)27/h7-12,14-15H,3-6,13H2,1-2H3,(H,26,27)(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	650	n/a	n/a	n/a	n/a
AstraZeneca UK Curated by ChEMBL					Assay Description Potency in Glucokinase activation assay				Bioorg Med Chem Lett 15: 2103-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.087 BindingDB Entry DOI: 10.7270/Q28S4PFN
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50165043 (6-[3,5-Bis-(2-fluoro-benzyloxy)-benzoylamino]-nico...) Show SMILES OC(=O)c1ccc(NC(=O)c2cc(OCc3ccccc3F)cc(OCc3ccccc3F)c2)nc1 Show InChI InChI=1S/C27H20F2N2O5/c28-23-7-3-1-5-18(23)15-35-21-11-20(26(32)31-25-10-9-17(14-30-25)27(33)34)12-22(13-21)36-16-19-6-2-4-8-24(19)29/h1-14H,15-16H2,(H,33,34)(H,30,31,32)	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	90	n/a	n/a	n/a	n/a
AstraZeneca UK Curated by ChEMBL					Assay Description Potency in Glucokinase activation assay				Bioorg Med Chem Lett 15: 2103-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.087 BindingDB Entry DOI: 10.7270/Q28S4PFN
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50165046 (6-(2-Benzyloxy-benzoylamino)-nicotinic acid | CHEM...) Show SMILES OC(=O)c1ccc(NC(=O)c2ccccc2OCc2ccccc2)nc1 Show InChI InChI=1S/C20H16N2O4/c23-19(22-18-11-10-15(12-21-18)20(24)25)16-8-4-5-9-17(16)26-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,24,25)(H,21,22,23)	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
AstraZeneca UK Curated by ChEMBL					Assay Description Potency in Glucokinase activation assay				Bioorg Med Chem Lett 15: 2103-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.087 BindingDB Entry DOI: 10.7270/Q28S4PFN
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50165047 (6-[3-Isopropoxy-5-(3-phenyl-propoxy)-benzoylamino]...) Show SMILES CC(C)Oc1cc(OCCCc2ccccc2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O Show InChI InChI=1S/C25H26N2O5/c1-17(2)32-22-14-20(24(28)27-23-11-10-19(16-26-23)25(29)30)13-21(15-22)31-12-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-11,13-17H,6,9,12H2,1-2H3,(H,29,30)(H,26,27,28)	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	420	n/a	n/a	n/a	n/a
AstraZeneca UK Curated by ChEMBL					Assay Description Potency in Glucokinase activation assay				Bioorg Med Chem Lett 15: 2103-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.087 BindingDB Entry DOI: 10.7270/Q28S4PFN
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50165045 (6-{3-Isopropoxy-5-[2-(tetrahydro-pyran-4-yl)-ethox...) Show SMILES CC(C)Oc1cc(OCCC2CCOCC2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O Show InChI InChI=1S/C23H28N2O6/c1-15(2)31-20-12-18(22(26)25-21-4-3-17(14-24-21)23(27)28)11-19(13-20)30-10-7-16-5-8-29-9-6-16/h3-4,11-16H,5-10H2,1-2H3,(H,27,28)(H,24,25,26)	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	1.33E+3	n/a	n/a	n/a	n/a
AstraZeneca UK Curated by ChEMBL					Assay Description Potency in Glucokinase activation assay				Bioorg Med Chem Lett 15: 2103-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.087 BindingDB Entry DOI: 10.7270/Q28S4PFN
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50344160 ((S)-6-(3-(1-methoxypropan-2-yloxy)-5-(4-(methylsul...) Show SMILES COC[C@H](C)Oc1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O |r| Show InChI InChI=1S/C24H24N2O8S/c1-15(14-32-2)33-19-10-17(23(27)26-22-9-4-16(13-25-22)24(28)29)11-20(12-19)34-18-5-7-21(8-6-18)35(3,30)31/h4-13,15H,14H2,1-3H3,(H,28,29)(H,25,26,27)/t15-/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	60	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Activation of His-tagged recombinant glucokinase expressed in Escherichia coli using [14C]-glucose substrate by spectrophotometrically				Bioorg Med Chem Lett 21: 3467-70 (2011) Article DOI: 10.1016/j.bmcl.2011.03.093 BindingDB Entry DOI: 10.7270/Q2Z038HG
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50183219 ((R)-6-(3-isopropoxy-5-(1-phenylethoxy)benzamido)ni...) Show SMILES CC(C)Oc1cc(O[C@H](C)c2ccccc2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O Show InChI InChI=1S/C24H24N2O5/c1-15(2)30-20-11-19(23(27)26-22-10-9-18(14-25-22)24(28)29)12-21(13-20)31-16(3)17-7-5-4-6-8-17/h4-16H,1-3H3,(H,28,29)(H,25,26,27)/t16-/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	950	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Activitation of glucokinase				Bioorg Med Chem Lett 16: 2705-9 (2006) Article DOI: 10.1016/j.bmcl.2006.02.022 BindingDB Entry DOI: 10.7270/Q28G8K91
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50183220 ((R)-6-(3-isopropoxy-5-(1-phenylpropan-2-yloxy)benz...) Show SMILES CC(C)Oc1cc(O[C@H](C)Cc2ccccc2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O Show InChI InChI=1S/C25H26N2O5/c1-16(2)31-21-12-20(24(28)27-23-10-9-19(15-26-23)25(29)30)13-22(14-21)32-17(3)11-18-7-5-4-6-8-18/h4-10,12-17H,11H2,1-3H3,(H,29,30)(H,26,27,28)/t17-/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	90	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Activitation of glucokinase				Bioorg Med Chem Lett 16: 2705-9 (2006) Article DOI: 10.1016/j.bmcl.2006.02.022 BindingDB Entry DOI: 10.7270/Q28G8K91
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50183222 ((S)-6-(3-isopropoxy-5-(1-phenylpropan-2-yloxy)benz...) Show SMILES CC(C)Oc1cc(O[C@@H](C)Cc2ccccc2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O Show InChI InChI=1S/C25H26N2O5/c1-16(2)31-21-12-20(24(28)27-23-10-9-19(15-26-23)25(29)30)13-22(14-21)32-17(3)11-18-7-5-4-6-8-18/h4-10,12-17H,11H2,1-3H3,(H,29,30)(H,26,27,28)/t17-/m0/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	20	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Activitation of glucokinase				Bioorg Med Chem Lett 16: 2705-9 (2006) Article DOI: 10.1016/j.bmcl.2006.02.022 BindingDB Entry DOI: 10.7270/Q28G8K91
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50183221 ((S)-6-(3-isopropoxy-5-(1-phenylethoxy)benzamido)ni...) Show SMILES CC(C)Oc1cc(O[C@@H](C)c2ccccc2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O Show InChI InChI=1S/C24H24N2O5/c1-15(2)30-20-11-19(23(27)26-22-10-9-18(14-25-22)24(28)29)12-21(13-20)31-16(3)17-7-5-4-6-8-17/h4-16H,1-3H3,(H,28,29)(H,25,26,27)/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	110	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Activitation of glucokinase				Bioorg Med Chem Lett 16: 2705-9 (2006) Article DOI: 10.1016/j.bmcl.2006.02.022 BindingDB Entry DOI: 10.7270/Q28G8K91
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50183223 ((S)-6-(3-isopropoxy-5-(1-methoxypropan-2-yloxy)ben...) Show SMILES COC[C@H](C)Oc1cc(OC(C)C)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O Show InChI InChI=1S/C20H24N2O6/c1-12(2)27-16-7-15(8-17(9-16)28-13(3)11-26-4)19(23)22-18-6-5-14(10-21-18)20(24)25/h5-10,12-13H,11H2,1-4H3,(H,24,25)(H,21,22,23)/t13-/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	610	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Activitation of glucokinase				Bioorg Med Chem Lett 16: 2705-9 (2006) Article DOI: 10.1016/j.bmcl.2006.02.022 BindingDB Entry DOI: 10.7270/Q28G8K91
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50344141 ((S)-6-(3-(3,5-difluorophenoxy)-5-(1-methoxypropan-...) Show SMILES COC[C@H](C)Oc1cc(Oc2cc(F)cc(F)c2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O |r| Show InChI InChI=1S/C23H20F2N2O6/c1-13(12-31-2)32-18-5-15(22(28)27-21-4-3-14(11-26-21)23(29)30)6-19(10-18)33-20-8-16(24)7-17(25)9-20/h3-11,13H,12H2,1-2H3,(H,29,30)(H,26,27,28)/t13-/m0/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	90	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Activation of His-tagged recombinant glucokinase expressed in Escherichia coli using [14C]-glucose substrate by spectrophotometrically				Bioorg Med Chem Lett 21: 3467-70 (2011) Article DOI: 10.1016/j.bmcl.2011.03.093 BindingDB Entry DOI: 10.7270/Q2Z038HG
					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	n/a	30	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Activation of His-tagged recombinant glucokinase expressed in Escherichia coli using [14C]-glucose substrate by spectrophotometrically				Bioorg Med Chem Lett 21: 3467-70 (2011) Article DOI: 10.1016/j.bmcl.2011.03.093 BindingDB Entry DOI: 10.7270/Q2Z038HG
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50344142 (6-(3-((S)-1-(4-fluorophenyl)propan-2-yloxy)-5-((S)...) Show SMILES COC[C@H](C)Oc1cc(O[C@@H](C)Cc2ccc(F)cc2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O |r| Show InChI InChI=1S/C26H27FN2O6/c1-16(10-18-4-7-21(27)8-5-18)34-22-11-20(12-23(13-22)35-17(2)15-33-3)25(30)29-24-9-6-19(14-28-24)26(31)32/h4-9,11-14,16-17H,10,15H2,1-3H3,(H,31,32)(H,28,29,30)/t16-,17-/m0/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	40	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Activation of His-tagged recombinant glucokinase expressed in Escherichia coli using [14C]-glucose substrate by spectrophotometrically				Bioorg Med Chem Lett 21: 3467-70 (2011) Article DOI: 10.1016/j.bmcl.2011.03.093 BindingDB Entry DOI: 10.7270/Q2Z038HG
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50344143 (6-(3-((S)-1-(2-methoxyphenyl)propan-2-yloxy)-5-((S...) Show SMILES COC[C@H](C)Oc1cc(O[C@@H](C)Cc2ccccc2OC)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O |r| Show InChI InChI=1S/C27H30N2O7/c1-17(11-19-7-5-6-8-24(19)34-4)35-22-12-21(13-23(14-22)36-18(2)16-33-3)26(30)29-25-10-9-20(15-28-25)27(31)32/h5-10,12-15,17-18H,11,16H2,1-4H3,(H,31,32)(H,28,29,30)/t17-,18-/m0/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	70	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Activation of His-tagged recombinant glucokinase expressed in Escherichia coli using [14C]-glucose substrate by spectrophotometrically				Bioorg Med Chem Lett 21: 3467-70 (2011) Article DOI: 10.1016/j.bmcl.2011.03.093 BindingDB Entry DOI: 10.7270/Q2Z038HG
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50344144 (6-(3-((S)-1-(3,5-difluorophenyl)propan-2-yloxy)-5-...) Show SMILES COC[C@H](C)Oc1cc(O[C@@H](C)Cc2cc(F)cc(F)c2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O |r| Show InChI InChI=1S/C26H26F2N2O6/c1-15(6-17-7-20(27)11-21(28)8-17)35-22-9-19(10-23(12-22)36-16(2)14-34-3)25(31)30-24-5-4-18(13-29-24)26(32)33/h4-5,7-13,15-16H,6,14H2,1-3H3,(H,32,33)(H,29,30,31)/t15-,16-/m0/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	50	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Activation of His-tagged recombinant glucokinase expressed in Escherichia coli using [14C]-glucose substrate by spectrophotometrically				Bioorg Med Chem Lett 21: 3467-70 (2011) Article DOI: 10.1016/j.bmcl.2011.03.093 BindingDB Entry DOI: 10.7270/Q2Z038HG
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50344145 (6-(3-((S)-1-(5-chlorofuran-2-yl)propan-2-yloxy)-5-...) Show SMILES COC[C@H](C)Oc1cc(O[C@@H](C)Cc2ccc(Cl)o2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O |r| Show InChI InChI=1S/C24H25ClN2O7/c1-14(8-18-5-6-21(25)34-18)32-19-9-17(10-20(11-19)33-15(2)13-31-3)23(28)27-22-7-4-16(12-26-22)24(29)30/h4-7,9-12,14-15H,8,13H2,1-3H3,(H,29,30)(H,26,27,28)/t14-,15-/m0/s1	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	30	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Activation of His-tagged recombinant glucokinase expressed in Escherichia coli using [14C]-glucose substrate by spectrophotometrically				Bioorg Med Chem Lett 21: 3467-70 (2011) Article DOI: 10.1016/j.bmcl.2011.03.093 BindingDB Entry DOI: 10.7270/Q2Z038HG
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50344146 (6-(3-((S)-1-cyclopentylpropan-2-yloxy)-5-((S)-1-me...) Show SMILES COC[C@H](C)Oc1cc(O[C@@H](C)CC2CCCC2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O |r| Show InChI InChI=1S/C25H32N2O6/c1-16(10-18-6-4-5-7-18)32-21-11-20(12-22(13-21)33-17(2)15-31-3)24(28)27-23-9-8-19(14-26-23)25(29)30/h8-9,11-14,16-18H,4-7,10,15H2,1-3H3,(H,29,30)(H,26,27,28)/t16-,17-/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	90	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Activation of His-tagged recombinant glucokinase expressed in Escherichia coli using [14C]-glucose substrate by spectrophotometrically				Bioorg Med Chem Lett 21: 3467-70 (2011) Article DOI: 10.1016/j.bmcl.2011.03.093 BindingDB Entry DOI: 10.7270/Q2Z038HG
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50183222 ((S)-6-(3-isopropoxy-5-(1-phenylpropan-2-yloxy)benz...) Show SMILES CC(C)Oc1cc(O[C@@H](C)Cc2ccccc2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O Show InChI InChI=1S/C25H26N2O5/c1-16(2)31-21-12-20(24(28)27-23-10-9-19(15-26-23)25(29)30)13-22(14-21)32-17(3)11-18-7-5-4-6-8-18/h4-10,12-17H,11H2,1-3H3,(H,29,30)(H,26,27,28)/t17-/m0/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	20	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Activation of His-tagged recombinant glucokinase expressed in Escherichia coli using [14C]-glucose substrate by spectrophotometrically				Bioorg Med Chem Lett 21: 3467-70 (2011) Article DOI: 10.1016/j.bmcl.2011.03.093 BindingDB Entry DOI: 10.7270/Q2Z038HG
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50344147 ((S)-6-(3-(1-methoxy-2-methylpropan-2-yloxy)-5-(1-p...) Show SMILES COCC(C)(C)Oc1cc(O[C@@H](C)Cc2ccccc2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O |r| Show InChI InChI=1S/C27H30N2O6/c1-18(12-19-8-6-5-7-9-19)34-22-13-21(14-23(15-22)35-27(2,3)17-33-4)25(30)29-24-11-10-20(16-28-24)26(31)32/h5-11,13-16,18H,12,17H2,1-4H3,(H,31,32)(H,28,29,30)/t18-/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
AstraZeneca R&D Curated by ChEMBL					Assay Description Activation of His-tagged recombinant glucokinase expressed in Escherichia coli using [14C]-glucose substrate by spectrophotometrically				Bioorg Med Chem Lett 21: 3467-70 (2011) Article DOI: 10.1016/j.bmcl.2011.03.093 BindingDB Entry DOI: 10.7270/Q2Z038HG
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50344148 ((S)-6-(3-(1-phenylpropan-2-yloxy)-5-(tetrahydro-2H...) Show SMILES C[C@@H](Cc1ccccc1)Oc1cc(OC2CCOCC2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O |r| Show InChI InChI=1S/C27H28N2O6/c1-18(13-19-5-3-2-4-6-19)34-23-14-21(15-24(16-23)35-22-9-11-33-12-10-22)26(30)29-25-8-7-20(17-28-25)27(31)32/h2-8,14-18,22H,9-13H2,1H3,(H,31,32)(H,28,29,30)/t18-/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
AstraZeneca R&D Curated by ChEMBL					Assay Description Activation of His-tagged recombinant glucokinase expressed in Escherichia coli using [14C]-glucose substrate by spectrophotometrically				Bioorg Med Chem Lett 21: 3467-70 (2011) Article DOI: 10.1016/j.bmcl.2011.03.093 BindingDB Entry DOI: 10.7270/Q2Z038HG
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50344149 (6-(3-((S)-1-methoxypropan-2-yloxy)-5-((R)-2-phenyl...) Show SMILES COC[C@H](C)Oc1cc(OC[C@H](C)c2ccccc2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O |r| Show InChI InChI=1S/C26H28N2O6/c1-17(19-7-5-4-6-8-19)15-33-22-11-21(12-23(13-22)34-18(2)16-32-3)25(29)28-24-10-9-20(14-27-24)26(30)31/h4-14,17-18H,15-16H2,1-3H3,(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	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	70	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Activation of His-tagged recombinant glucokinase expressed in Escherichia coli using [14C]-glucose substrate by spectrophotometrically				Bioorg Med Chem Lett 21: 3467-70 (2011) Article DOI: 10.1016/j.bmcl.2011.03.093 BindingDB Entry DOI: 10.7270/Q2Z038HG
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50344150 ((S)-6-(3-(2,2-difluoro-2-phenylethoxy)-5-(1-methox...) Show SMILES COC[C@H](C)Oc1cc(OCC(F)(F)c2ccccc2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O |r| Show InChI InChI=1S/C25H24F2N2O6/c1-16(14-33-2)35-21-11-18(23(30)29-22-9-8-17(13-28-22)24(31)32)10-20(12-21)34-15-25(26,27)19-6-4-3-5-7-19/h3-13,16H,14-15H2,1-2H3,(H,31,32)(H,28,29,30)/t16-/m0/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	30	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Activation of His-tagged recombinant glucokinase expressed in Escherichia coli using [14C]-glucose substrate by spectrophotometrically				Bioorg Med Chem Lett 21: 3467-70 (2011) Article DOI: 10.1016/j.bmcl.2011.03.093 BindingDB Entry DOI: 10.7270/Q2Z038HG
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50344151 (6-(3-(2,3-dihydro-1H-inden-2-yloxy)-5-isopropoxybe...) Show SMILES CC(C)Oc1cc(OC2Cc3ccccc3C2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O Show InChI InChI=1S/C25H24N2O5/c1-15(2)31-21-11-19(24(28)27-23-8-7-18(14-26-23)25(29)30)12-22(13-21)32-20-9-16-5-3-4-6-17(16)10-20/h3-8,11-15,20H,9-10H2,1-2H3,(H,29,30)(H,26,27,28)	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	100	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Activation of His-tagged recombinant glucokinase expressed in Escherichia coli using [14C]-glucose substrate by spectrophotometrically				Bioorg Med Chem Lett 21: 3467-70 (2011) Article DOI: 10.1016/j.bmcl.2011.03.093 BindingDB Entry DOI: 10.7270/Q2Z038HG
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 65 total )  |  Next  |  Last  >>

Jump to: