Compile Data Set for Download or QSAR

Found 44 hits with Last Name = 'ortí' and Initial = 'l'   

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
Heparanase (Homo sapiens (Human))	BDBM50175932 (1,3-bis-[4-(5,6-dimethyl-1H-benzoimidazol-2-yl)phe...) Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(NC(=O)Nc2ccc(cc2)-c2nc3cc(C)c(C)cc3[nH]2)cc1 Show InChI InChI=1S/C31H28N6O/c1-17-13-25-26(14-18(17)2)35-29(34-25)21-5-9-23(10-6-21)32-31(38)33-24-11-7-22(8-12-24)30-36-27-15-19(3)20(4)16-28(27)37-30/h5-16H,1-4H3,(H,34,35)(H,36,37)(H2,32,33,38)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es Curated by ChEMBL					Assay Description Inhibition of recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3)				Bioorg Med Chem 21: 1944-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.033 BindingDB Entry DOI: 10.7270/Q2HQ419G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50431662 (CHEMBL2349246) Show SMILES CCCCCCCCCCCCCCCCCC(=O)Nc1cc(=O)n([nH]1)-c1ccc(Oc2ccccc2)c(c1)S(O)(=O)=O Show InChI InChI=1S/C33H47N3O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-32(37)34-31-26-33(38)36(35-31)27-23-24-29(30(25-27)43(39,40)41)42-28-20-17-16-18-21-28/h16-18,20-21,23-26,35H,2-15,19,22H2,1H3,(H,34,37)(H,39,40,41)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es Curated by ChEMBL					Assay Description Inhibition of recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3)				Bioorg Med Chem 21: 1944-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.033 BindingDB Entry DOI: 10.7270/Q2HQ419G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50431663 (CHEMBL2349247) Show SMILES CC(=O)Cc1ccc2oc(nc2c1)-c1ccc(\C=C\C(=O)Nc2ccc(Cl)c(Cl)c2)cc1F Show InChI InChI=1S/C25H17Cl2FN2O3/c1-14(31)10-16-3-8-23-22(12-16)30-25(33-23)18-6-2-15(11-21(18)28)4-9-24(32)29-17-5-7-19(26)20(27)13-17/h2-9,11-13H,10H2,1H3,(H,29,32)/b9-4+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es Curated by ChEMBL					Assay Description Inhibition of recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3)				Bioorg Med Chem 21: 1944-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.033 BindingDB Entry DOI: 10.7270/Q2HQ419G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50165660 (2-(3-(5-(4-chlorophenyl)benzo[d]oxazol-2-yl)-4-(pr...) Show SMILES CCCNc1ccc(cc1-c1nc2cc(ccc2o1)-c1ccc(Cl)cc1)N1C(=O)c2ccc(cc2C1=O)C(O)=O Show InChI InChI=1S/C31H22ClN3O5/c1-2-13-33-25-11-9-21(35-29(36)22-10-5-19(31(38)39)14-23(22)30(35)37)16-24(25)28-34-26-15-18(6-12-27(26)40-28)17-3-7-20(32)8-4-17/h3-12,14-16,33H,2,13H2,1H3,(H,38,39)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es Curated by ChEMBL					Assay Description Inhibition of recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3)				Bioorg Med Chem 21: 1944-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.033 BindingDB Entry DOI: 10.7270/Q2HQ419G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50175811 (CHEMBL200215 | N-(4-{[4-(1H-benzoimidazol-2-yl)phe...) Show SMILES COc1ccc(cc1Br)C(=O)Nc1ccc(CNc2ccc(cc2)-c2nc3ccccc3[nH]2)cc1 Show InChI InChI=1S/C28H23BrN4O2/c1-35-26-15-10-20(16-23(26)29)28(34)31-22-11-6-18(7-12-22)17-30-21-13-8-19(9-14-21)27-32-24-4-2-3-5-25(24)33-27/h2-16,30H,17H2,1H3,(H,31,34)(H,32,33)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es Curated by ChEMBL					Assay Description Inhibition of recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3)				Bioorg Med Chem 21: 1944-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.033 BindingDB Entry DOI: 10.7270/Q2HQ419G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50175939 (1,3-bis-[4-(1H-benzoimidazol-2-yl)phenyl]urea | CH...) Show SMILES O=C(Nc1ccc(cc1)-c1nc2ccccc2[nH]1)Nc1ccc(cc1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C27H20N6O/c34-27(28-19-13-9-17(10-14-19)25-30-21-5-1-2-6-22(21)31-25)29-20-15-11-18(12-16-20)26-32-23-7-3-4-8-24(23)33-26/h1-16H,(H,30,31)(H,32,33)(H2,28,29,34)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es Curated by ChEMBL					Assay Description Inhibition of recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3)				Bioorg Med Chem 21: 1944-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.033 BindingDB Entry DOI: 10.7270/Q2HQ419G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50175813 (CHEMBL200831 | N-(4-{[5-(1H-benzoimidazol-2-yl)-py...) Show SMILES COc1ccc(cc1Br)C(=O)Nc1ccc(CNc2ccc(cn2)-c2nc3ccccc3[nH]2)cc1 Show InChI InChI=1S/C27H22BrN5O2/c1-35-24-12-8-18(14-21(24)28)27(34)31-20-10-6-17(7-11-20)15-29-25-13-9-19(16-30-25)26-32-22-4-2-3-5-23(22)33-26/h2-14,16H,15H2,1H3,(H,29,30)(H,31,34)(H,32,33)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es Curated by ChEMBL					Assay Description Inhibition of recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3)				Bioorg Med Chem 21: 1944-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.033 BindingDB Entry DOI: 10.7270/Q2HQ419G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50165636 (2-(4-(5-(4-(3-(4-bromophenyl)acrylamido)-2-chlorop...) Show SMILES OC(=O)Cc1nc(cs1)-c1ccc(o1)-c1ccc(NC(=O)\C=C\c2ccc(Br)cc2)cc1Cl Show InChI InChI=1S/C24H16BrClN2O4S/c25-15-4-1-14(2-5-15)3-10-22(29)27-16-6-7-17(18(26)11-16)20-8-9-21(32-20)19-13-33-23(28-19)12-24(30)31/h1-11,13H,12H2,(H,27,29)(H,30,31)/b10-3+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es Curated by ChEMBL					Assay Description Inhibition of recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3)				Bioorg Med Chem 21: 1944-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.033 BindingDB Entry DOI: 10.7270/Q2HQ419G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50412102 (CHEMBL495255) Show SMILES CCCNc1ccc(cc1-c1nc2cc(ccc2o1)-c1ccc(F)cc1)N1C(=O)c2ccc(cc2C1=O)C(O)=O Show InChI InChI=1S/C31H22FN3O5/c1-2-13-33-25-11-9-21(35-29(36)22-10-5-19(31(38)39)14-23(22)30(35)37)16-24(25)28-34-26-15-18(6-12-27(26)40-28)17-3-7-20(32)8-4-17/h3-12,14-16,33H,2,13H2,1H3,(H,38,39)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es Curated by ChEMBL					Assay Description Inhibition of recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3)				Bioorg Med Chem 21: 1944-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.033 BindingDB Entry DOI: 10.7270/Q2HQ419G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50431661 (CHEMBL2349245) Show SMILES OC1C(O)C(CNC1NC(=O)C(F)(F)F)C(O)=O Show InChI InChI=1S/C8H11F3N2O5/c9-8(10,11)7(18)13-5-4(15)3(14)2(1-12-5)6(16)17/h2-5,12,14-15H,1H2,(H,13,18)(H,16,17)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es Curated by ChEMBL					Assay Description Inhibition of recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3)				Bioorg Med Chem 21: 1944-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.033 BindingDB Entry DOI: 10.7270/Q2HQ419G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50431660 (CHEMBL82744) Show SMILES OC(=O)c1ccccc1C(=O)c1ccc(Oc2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C20H13NO6/c22-19(15-8-4-5-9-16(15)20(23)24)13-10-11-18(17(12-13)21(25)26)27-14-6-2-1-3-7-14/h1-12H,(H,23,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es Curated by ChEMBL					Assay Description Inhibition of recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3)				Bioorg Med Chem 21: 1944-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.033 BindingDB Entry DOI: 10.7270/Q2HQ419G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50431659 (CHEMBL2349244) Show SMILES Nc1ccc2nc([nH]c2c1)-c1ccc(Oc2ccc(cc2)-c2nc3ccc(N)cc3[nH]2)cc1 Show InChI InChI=1S/C26H20N6O/c27-17-5-11-21-23(13-17)31-25(29-21)15-1-7-19(8-2-15)33-20-9-3-16(4-10-20)26-30-22-12-6-18(28)14-24(22)32-26/h1-14H,27-28H2,(H,29,31)(H,30,32)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es Curated by ChEMBL					Assay Description Inhibition of recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3)				Bioorg Med Chem 21: 1944-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.033 BindingDB Entry DOI: 10.7270/Q2HQ419G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50165609 ((4-{5-[2-Chloro-4-(4-chloro-benzoylamino)-phenyl]-...) Show SMILES OC(=O)Cc1nc(cs1)-c1ccc(o1)-c1ccc(NC(=O)c2ccc(Cl)cc2)cc1Cl Show InChI InChI=1S/C22H14Cl2N2O4S/c23-13-3-1-12(2-4-13)22(29)25-14-5-6-15(16(24)9-14)18-7-8-19(30-18)17-11-31-20(26-17)10-21(27)28/h1-9,11H,10H2,(H,25,29)(H,27,28)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es Curated by ChEMBL					Assay Description Inhibition of recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3)				Bioorg Med Chem 21: 1944-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.033 BindingDB Entry DOI: 10.7270/Q2HQ419G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50147549 (2-(2-methoxy-5-(5-phenylbenzo[d]oxazol-2-yl)phenyl...) Show SMILES COc1ccc(cc1N1C(=O)c2ccc(cc2C1=O)C(O)=O)-c1nc2cc(ccc2o1)-c1ccccc1 Show InChI InChI=1S/C29H18N2O6/c1-36-25-12-9-18(26-30-22-14-17(8-11-24(22)37-26)16-5-3-2-4-6-16)15-23(25)31-27(32)20-10-7-19(29(34)35)13-21(20)28(31)33/h2-15H,1H3,(H,34,35)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es Curated by ChEMBL					Assay Description Inhibition of recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3)				Bioorg Med Chem 21: 1944-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.033 BindingDB Entry DOI: 10.7270/Q2HQ419G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50431658 (CHEMBL2349243) Show SMILES OS(=O)(=O)CCNC(=O)CCc1ccc(Oc2cc(Oc3ccc(Cl)cc3C3CCCCC3)cc(c2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C29H31ClN2O8S/c30-22-9-12-28(27(16-22)21-4-2-1-3-5-21)40-26-18-23(32(34)35)17-25(19-26)39-24-10-6-20(7-11-24)8-13-29(33)31-14-15-41(36,37)38/h6-7,9-12,16-19,21H,1-5,8,13-15H2,(H,31,33)(H,36,37,38)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es Curated by ChEMBL					Assay Description Inhibition of recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3)				Bioorg Med Chem 21: 1944-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.033 BindingDB Entry DOI: 10.7270/Q2HQ419G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50147526 (2-(3-(benzo[d]oxazol-2-yl)phenyl)-1,3-dioxoisoindo...) Show SMILES OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1cccc(c1)-c1nc2ccccc2o1 Show InChI InChI=1S/C22H12N2O5/c25-20-15-9-8-13(22(27)28)11-16(15)21(26)24(20)14-5-3-4-12(10-14)19-23-17-6-1-2-7-18(17)29-19/h1-11H,(H,27,28)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es Curated by ChEMBL					Assay Description Inhibition of recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3)				Bioorg Med Chem 21: 1944-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.033 BindingDB Entry DOI: 10.7270/Q2HQ419G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50431657 (CHEMBL2349242) Show SMILES OC(CN(CCc1ccccc1)C(=S)Nc1ccc(cc1)S(O)(=O)=O)Cn1c2ccc(Br)cc2c2cc(Br)ccc12 Show InChI InChI=1S/C30H27Br2N3O4S2/c31-21-6-12-28-26(16-21)27-17-22(32)7-13-29(27)35(28)19-24(36)18-34(15-14-20-4-2-1-3-5-20)30(40)33-23-8-10-25(11-9-23)41(37,38)39/h1-13,16-17,24,36H,14-15,18-19H2,(H,33,40)(H,37,38,39)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es Curated by ChEMBL					Assay Description Inhibition of recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3)				Bioorg Med Chem 21: 1944-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.033 BindingDB Entry DOI: 10.7270/Q2HQ419G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50344638 (2-(3-(2-(5-bromo-2-hydroxybenzoyl)hydrazono)-2-oxo...) Show SMILES Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)c3cc(Br)ccc3O)c3ccccc23)cc1 |w:13.13| Show InChI InChI=1S/C24H19BrN4O4/c1-14-6-9-16(10-7-14)26-21(31)13-29-19-5-3-2-4-17(19)22(24(29)33)27-28-23(32)18-12-15(25)8-11-20(18)30/h2-12,30H,13H2,1H3,(H,26,31)(H,28,32)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es Curated by ChEMBL					Assay Description Inhibition of recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3)				Bioorg Med Chem 21: 1944-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.033 BindingDB Entry DOI: 10.7270/Q2HQ419G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50431655 (CHEMBL2349240) Show SMILES CCCCCCCCCCCCCCCc1cc(OC2OC(C(O)C(O)C2O)C(O)=O)cc(O)c1C(=O)Oc1cc(C)c(C(O)=O)c(O)c1 Show InChI InChI=1S/C36H50O13/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-18-24(48-36-31(41)29(39)30(40)32(49-36)34(44)45)20-26(38)28(22)35(46)47-23-17-21(2)27(33(42)43)25(37)19-23/h17-20,29-32,36-41H,3-16H2,1-2H3,(H,42,43)(H,44,45)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es Curated by ChEMBL					Assay Description Inhibition of recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3)				Bioorg Med Chem 21: 1944-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.033 BindingDB Entry DOI: 10.7270/Q2HQ419G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50431656 (CHEMBL2349241) Show SMILES CCCCCCCCCCCCCCCc1cc(OC2OC(C(O)C(O)C2O)C(=O)OC)cc(O)c1C(=O)Oc1cc(C)c(C(O)=O)c(O)c1 Show InChI InChI=1S/C37H52O13/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-19-25(49-37-32(42)30(40)31(41)33(50-37)36(46)47-3)21-27(39)29(23)35(45)48-24-18-22(2)28(34(43)44)26(38)20-24/h18-21,30-33,37-42H,4-17H2,1-3H3,(H,43,44)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es Curated by ChEMBL					Assay Description Inhibition of recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3)				Bioorg Med Chem 21: 1944-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.033 BindingDB Entry DOI: 10.7270/Q2HQ419G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50431654 (CHEMBL2349239) Show SMILES CC(=O)NC1NCC(C(O)C1O)C(O)=O Show InChI InChI=1S/C8H14N2O5/c1-3(11)10-7-6(13)5(12)4(2-9-7)8(14)15/h4-7,9,12-13H,2H2,1H3,(H,10,11)(H,14,15)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es Curated by ChEMBL					Assay Description Inhibition of recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3)				Bioorg Med Chem 21: 1944-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.033 BindingDB Entry DOI: 10.7270/Q2HQ419G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50104694 ((R)-4-hydroxy-5-(hydroxymethyl)-3-palmitoylfuran-2...) Show SMILES CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CO)c1O Show InChI InChI=1S/C21H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(23)19-20(24)18(16-22)26-21(19)25/h22,24-25H,2-16H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es Curated by ChEMBL					Assay Description Inhibition of recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3)				Bioorg Med Chem 21: 1944-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.033 BindingDB Entry DOI: 10.7270/Q2HQ419G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50431653 (CHEMBL2349238) Show SMILES CCCCCCCCCC1=CO[C@]2(C[C@@H](C(O)=O)C(O2)(C(O)=O)C(O)=O)C1=O |r,t:9| Show InChI InChI=1S/C19H26O9/c1-2-3-4-5-6-7-8-9-12-11-27-18(14(12)20)10-13(15(21)22)19(28-18,16(23)24)17(25)26/h11,13H,2-10H2,1H3,(H,21,22)(H,23,24)(H,25,26)/t13-,18-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es Curated by ChEMBL					Assay Description Inhibition of recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3)				Bioorg Med Chem 21: 1944-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.033 BindingDB Entry DOI: 10.7270/Q2HQ419G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50165658 (CHEMBL196827 | {4-[5-(2,4-Dichloro-phenyl)-furan-2...) Show SMILES OC(=O)Cc1nc(cs1)-c1ccc(o1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C15H9Cl2NO3S/c16-8-1-2-9(10(17)5-8)12-3-4-13(21-12)11-7-22-14(18-11)6-15(19)20/h1-5,7H,6H2,(H,19,20)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es Curated by ChEMBL					Assay Description Inhibition of recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3)				Bioorg Med Chem 21: 1944-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.033 BindingDB Entry DOI: 10.7270/Q2HQ419G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50431652 (CHEMBL2349237) Show SMILES CCCCCCCCCC1=CO[C@]2(C[C@H](C(O)=O)C(O2)(C(O)=O)C(O)=O)C1=O |r,t:9| Show InChI InChI=1S/C19H26O9/c1-2-3-4-5-6-7-8-9-12-11-27-18(14(12)20)10-13(15(21)22)19(28-18,16(23)24)17(25)26/h11,13H,2-10H2,1H3,(H,21,22)(H,23,24)(H,25,26)/t13-,18+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es Curated by ChEMBL					Assay Description Inhibition of recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3)				Bioorg Med Chem 21: 1944-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.033 BindingDB Entry DOI: 10.7270/Q2HQ419G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50431651 (CHEMBL2349236) Show SMILES CCCCCCCCCCCCCCCC(=O)C1=C(OCc2ccccc2)[C@@H](CO)OC1=O |r,c:17| Show InChI InChI=1S/C28H42O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24(30)26-27(25(21-29)33-28(26)31)32-22-23-18-15-14-16-19-23/h14-16,18-19,25,29H,2-13,17,20-22H2,1H3/t25-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es Curated by ChEMBL					Assay Description Inhibition of recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3)				Bioorg Med Chem 21: 1944-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.033 BindingDB Entry DOI: 10.7270/Q2HQ419G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50104680 (3-Hexadecanoyl-5-hydroxymethyl-4-methoxy-5H-furan-...) Show SMILES CCCCCCCCCCCCCCCC(=O)C1=C(OC)[C@@H](CO)OC1=O |c:17| Show InChI InChI=1S/C22H38O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(24)20-21(26-2)19(17-23)27-22(20)25/h19,23H,3-17H2,1-2H3/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es Curated by ChEMBL					Assay Description Inhibition of recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3)				Bioorg Med Chem 21: 1944-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.033 BindingDB Entry DOI: 10.7270/Q2HQ419G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50241582 ((S)-7-((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxyme...) Show SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a
Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es Curated by ChEMBL					Assay Description Binding affinity to recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance assa...				Bioorg Med Chem 21: 1944-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.033 BindingDB Entry DOI: 10.7270/Q2HQ419G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM30704 ((phenylmethyl) N-[[(6aR,9S,10aR)-4,7-dimethyl-6,6a...) Show SMILES CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1cn(C)c3cccc2c13 Show InChI InChI=1S/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,15,18,21,23H,11-14,16H2,1-2H3,(H,26,29)/t18-,21+,23+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a
Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es Curated by ChEMBL					Assay Description Binding affinity to recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance assa...				Bioorg Med Chem 21: 1944-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.033 BindingDB Entry DOI: 10.7270/Q2HQ419G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM25758 (2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amin...) Show SMILES CC(CCc1ccccc1)NCC(O)c1ccc(O)c(c1)C(N)=O Show InChI InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	1.00E+6	n/a	n/a	n/a	n/a	n/a
Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es Curated by ChEMBL					Assay Description Binding affinity to recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance assa...				Bioorg Med Chem 21: 1944-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.033 BindingDB Entry DOI: 10.7270/Q2HQ419G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50431649 (CHEMBL2349234) Show SMILES CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1Br Show InChI InChI=1S/C20H21BrClN3/c1-3-25(4-2)13-14-11-16(6-8-18(14)21)24-19-9-10-23-20-12-15(22)5-7-17(19)20/h5-12H,3-4,13H2,1-2H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a
Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es Curated by ChEMBL					Assay Description Binding affinity to recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance assa...				Bioorg Med Chem 21: 1944-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.033 BindingDB Entry DOI: 10.7270/Q2HQ419G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50431648 (CHEMBL2349233) Show SMILES CCOc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1CN1CCCC1 Show InChI InChI=1S/C22H24ClN3O/c1-2-27-22-8-6-18(13-16(22)15-26-11-3-4-12-26)25-20-9-10-24-21-14-17(23)5-7-19(20)21/h5-10,13-14H,2-4,11-12,15H2,1H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.69E+5	n/a	n/a	n/a	n/a	n/a
Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es Curated by ChEMBL					Assay Description Binding affinity to recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance assa...				Bioorg Med Chem 21: 1944-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.033 BindingDB Entry DOI: 10.7270/Q2HQ419G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50431647 (CHEMBL2349232) Show SMILES Clc1ccc2c(Nc3ccc(-c4ccco4)c(CN4CCCC4)c3)ccnc2c1 Show InChI InChI=1S/C24H22ClN3O/c25-18-5-7-21-22(9-10-26-23(21)15-18)27-19-6-8-20(24-4-3-13-29-24)17(14-19)16-28-11-1-2-12-28/h3-10,13-15H,1-2,11-12,16H2,(H,26,27)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a
Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es Curated by ChEMBL					Assay Description Binding affinity to recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance assa...				Bioorg Med Chem 21: 1944-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.033 BindingDB Entry DOI: 10.7270/Q2HQ419G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50431646 (CHEMBL330684) Show SMILES OCc1cc(NC(=O)CN2CCOCC2)cc(Nc2ccnc3cc(Cl)ccc23)c1 Show InChI InChI=1S/C22H23ClN4O3/c23-16-1-2-19-20(3-4-24-21(19)11-16)25-17-9-15(14-28)10-18(12-17)26-22(29)13-27-5-7-30-8-6-27/h1-4,9-12,28H,5-8,13-14H2,(H,24,25)(H,26,29)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.50E+4	n/a	n/a	n/a	n/a	n/a
Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es Curated by ChEMBL					Assay Description Binding affinity to recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance assa...				Bioorg Med Chem 21: 1944-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.033 BindingDB Entry DOI: 10.7270/Q2HQ419G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50431645 (CHEMBL96248) Show SMILES Clc1ccc2c(Nc3cc(COC(=O)CN4CCCCC4)cc(NC(=O)CN4CCCCC4)c3)ccnc2c1 Show InChI InChI=1S/C30H36ClN5O3/c31-23-7-8-26-27(9-10-32-28(26)17-23)33-24-15-22(21-39-30(38)20-36-13-5-2-6-14-36)16-25(18-24)34-29(37)19-35-11-3-1-4-12-35/h7-10,15-18H,1-6,11-14,19-21H2,(H,32,33)(H,34,37)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.90E+4	n/a	n/a	n/a	n/a	n/a
Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es Curated by ChEMBL					Assay Description Binding affinity to recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance assa...				Bioorg Med Chem 21: 1944-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.033 BindingDB Entry DOI: 10.7270/Q2HQ419G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50431644 (CHEMBL94587) Show SMILES OC1CCN(Cc2cc(NC(=O)CN3CCCCC3)cc(Nc3ccnc4cc(Cl)ccc34)c2)CC1 Show InChI InChI=1S/C28H34ClN5O2/c29-21-4-5-25-26(6-9-30-27(25)16-21)31-22-14-20(18-34-12-7-24(35)8-13-34)15-23(17-22)32-28(36)19-33-10-2-1-3-11-33/h4-6,9,14-17,24,35H,1-3,7-8,10-13,18-19H2,(H,30,31)(H,32,36)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.00E+6	n/a	n/a	n/a	n/a	n/a
Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es Curated by ChEMBL					Assay Description Binding affinity to recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance assa...				Bioorg Med Chem 21: 1944-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.033 BindingDB Entry DOI: 10.7270/Q2HQ419G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50431643 (CHEMBL319756) Show SMILES CN(C)CCNCc1cc(NC(=O)CN2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc23)c1 Show InChI InChI=1S/C27H35ClN6O/c1-33(2)13-10-29-18-20-14-22(31-25-8-9-30-26-16-21(28)6-7-24(25)26)17-23(15-20)32-27(35)19-34-11-4-3-5-12-34/h6-9,14-17,29H,3-5,10-13,18-19H2,1-2H3,(H,30,31)(H,32,35)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	6.39E+5	n/a	n/a	n/a	n/a	n/a
Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es Curated by ChEMBL					Assay Description Binding affinity to recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance assa...				Bioorg Med Chem 21: 1944-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.033 BindingDB Entry DOI: 10.7270/Q2HQ419G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50431642 (CHEMBL475535) Show SMILES CN(C)CCCNC(=O)c1cc(NC(=O)CN2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc23)c1 Show InChI InChI=1S/C28H35ClN6O2/c1-34(2)12-6-10-31-28(37)20-15-22(32-25-9-11-30-26-17-21(29)7-8-24(25)26)18-23(16-20)33-27(36)19-35-13-4-3-5-14-35/h7-9,11,15-18H,3-6,10,12-14,19H2,1-2H3,(H,30,32)(H,31,37)(H,33,36)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a
Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es Curated by ChEMBL					Assay Description Binding affinity to recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance assa...				Bioorg Med Chem 21: 1944-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.033 BindingDB Entry DOI: 10.7270/Q2HQ419G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50431641 (CHEMBL490277) Show SMILES Clc1ccc2c(Nc3cc(NC(=O)CN4CCCCC4)cc(c3)C(=O)N3CCOCC3)ccnc2c1 Show InChI InChI=1S/C27H30ClN5O3/c28-20-4-5-23-24(6-7-29-25(23)16-20)30-21-14-19(27(35)33-10-12-36-13-11-33)15-22(17-21)31-26(34)18-32-8-2-1-3-9-32/h4-7,14-17H,1-3,8-13,18H2,(H,29,30)(H,31,34)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a
Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es Curated by ChEMBL					Assay Description Binding affinity to recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance assa...				Bioorg Med Chem 21: 1944-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.033 BindingDB Entry DOI: 10.7270/Q2HQ419G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50388686 (CHEMBL74656) Show SMILES CO[C@@H]1CN(CCCOc2ccc(F)cc2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r| Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)/t20-,22+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a
Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es Curated by ChEMBL					Assay Description Binding affinity to recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance assa...				Bioorg Med Chem 21: 1944-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.033 BindingDB Entry DOI: 10.7270/Q2HQ419G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM61776 ((2S)-2-(4-methoxy-3-oxidanyl-phenyl)-7-[(2S,3R,4S,...) Show SMILES COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc2O1 Show InChI InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a
Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es Curated by ChEMBL					Assay Description Binding affinity to recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance assa...				Bioorg Med Chem 21: 1944-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.033 BindingDB Entry DOI: 10.7270/Q2HQ419G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50041457 (4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...) Show SMILES CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O Show InChI InChI=1S/C20H22ClN3O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	5.26E+4	n/a	n/a	n/a	n/a	n/a
Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es Curated by ChEMBL					Assay Description Binding affinity to recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance assa...				Bioorg Med Chem 21: 1944-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.033 BindingDB Entry DOI: 10.7270/Q2HQ419G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM24226 (1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxypheny...) Show SMILES COc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1 Show InChI InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a
Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es Curated by ChEMBL					Assay Description Binding affinity to recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance assa...				Bioorg Med Chem 21: 1944-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.033 BindingDB Entry DOI: 10.7270/Q2HQ419G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50431650 (CHEMBL2349235) Show SMILES CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1N1CCOCC1 Show InChI InChI=1S/C24H29ClN4O/c1-3-28(4-2)17-18-15-20(6-8-24(18)29-11-13-30-14-12-29)27-22-9-10-26-23-16-19(25)5-7-21(22)23/h5-10,15-16H,3-4,11-14,17H2,1-2H3,(H,26,27)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.39E+5	n/a	n/a	n/a	n/a	n/a
Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es Curated by ChEMBL					Assay Description Binding affinity to recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance assa...				Bioorg Med Chem 21: 1944-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.033 BindingDB Entry DOI: 10.7270/Q2HQ419G
					More data for this Ligand-Target Pair