Compile Data Set for Download or QSAR

Found 163 hits with Last Name = 'stubberfield' and Initial = 'cr'   

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
Dolichyl-phosphate-mannose--protein mannosyltransferase 1 (Candida albicans)	BDBM50149727 (CHEMBL361420 | {5-[3-(2-Hydroxy-1-phenyl-ethoxy)-4...) Show SMILES OCC(Oc1cc(\C=C2/SC(=S)N(CC(O)=O)C2=O)ccc1OCCc1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H25NO6S2/c30-18-24(21-9-5-2-6-10-21)35-23-15-20(16-25-27(33)29(17-26(31)32)28(36)37-25)11-12-22(23)34-14-13-19-7-3-1-4-8-19/h1-12,15-16,24,30H,13-14,17-18H2,(H,31,32)/b25-16-	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Oxfordshire OX14 4YS Curated by ChEMBL					Assay Description In vitro inhibition of Candida albicans protein mannosyl transferase 1				Bioorg Med Chem Lett 14: 3975-8 (2004) Article DOI: 10.1016/j.bmcl.2004.05.050 BindingDB Entry DOI: 10.7270/Q22J6B96
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50147546 (2-(3-(5-(benzo[d][1,3]dioxol-5-yl)benzo[d]oxazol-2...) Show SMILES COc1ccc(cc1-c1nc2cc(ccc2o1)-c1ccc2OCOc2c1)N1C(=O)c2ccc(cc2C1=O)C(O)=O Show InChI InChI=1S/C30H18N2O8/c1-37-23-9-5-18(32-28(33)19-6-2-17(30(35)36)10-20(19)29(32)34)13-21(23)27-31-22-11-15(3-7-24(22)40-27)16-4-8-25-26(12-16)39-14-38-25/h2-13H,14H2,1H3,(H,35,36)	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
Celltech R&D Ltd Curated by ChEMBL					Assay Description In vivo inhibitory activity against human Heparanase				Bioorg Med Chem Lett 14: 3269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.03.086 BindingDB Entry DOI: 10.7270/Q2CC1040
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50147513 (2-[3-[5-(4-Chloro-phenyl)-benzooxazol-2-yl]-4-(2-m...) Show SMILES COCCNc1ccc(cc1-c1nc2cc(ccc2o1)-c1ccc(Cl)cc1)N1C(=O)c2ccc(cc2C1=O)C(O)=O Show InChI InChI=1S/C31H22ClN3O6/c1-40-13-12-33-25-10-8-21(35-29(36)22-9-4-19(31(38)39)14-23(22)30(35)37)16-24(25)28-34-26-15-18(5-11-27(26)41-28)17-2-6-20(32)7-3-17/h2-11,14-16,33H,12-13H2,1H3,(H,38,39)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description In vivo inhibitory activity against human Heparanase				Bioorg Med Chem Lett 14: 3269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.03.086 BindingDB Entry DOI: 10.7270/Q2CC1040
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50165639 ((2-{4-[2-(2,4-Dichloro-phenylcarbamoyl)-vinyl]-2-f...) Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(\C=C\C(=O)Nc2ccc(Cl)cc2Cl)cc1F Show InChI InChI=1S/C24H15Cl2FN2O4/c25-15-4-6-19(17(26)12-15)28-22(30)8-3-13-1-5-16(18(27)9-13)24-29-20-10-14(11-23(31)32)2-7-21(20)33-24/h1-10,12H,11H2,(H,28,30)(H,31,32)/b8-3+	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
Celltech R&D Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human Heparanase				Bioorg Med Chem Lett 15: 2295-9 (2005) Article DOI: 10.1016/j.bmcl.2005.03.014 BindingDB Entry DOI: 10.7270/Q2BP029G
					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
Celltech R&D Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human Heparanase				Bioorg Med Chem Lett 15: 2295-9 (2005) Article DOI: 10.1016/j.bmcl.2005.03.014 BindingDB Entry DOI: 10.7270/Q2BP029G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50165653 ((2-{4-[2-(3,4-Dichloro-phenylcarbamoyl)-vinyl]-2-f...) Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(\C=C\C(=O)Nc2ccc(Cl)c(Cl)c2)cc1F Show InChI InChI=1S/C24H15Cl2FN2O4/c25-17-6-4-15(12-18(17)26)28-22(30)8-3-13-1-5-16(19(27)9-13)24-29-20-10-14(11-23(31)32)2-7-21(20)33-24/h1-10,12H,11H2,(H,28,30)(H,31,32)/b8-3+	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
Celltech R&D Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human Heparanase				Bioorg Med Chem Lett 15: 2295-9 (2005) Article DOI: 10.1016/j.bmcl.2005.03.014 BindingDB Entry DOI: 10.7270/Q2BP029G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50165669 ((2-{4-[2-(3-Bromo-phenylcarbamoyl)-vinyl]-2-fluoro...) Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(\C=C\C(=O)Nc2cccc(Br)c2)cc1F Show InChI InChI=1S/C24H16BrFN2O4/c25-16-2-1-3-17(13-16)27-22(29)9-6-14-4-7-18(19(26)10-14)24-28-20-11-15(12-23(30)31)5-8-21(20)32-24/h1-11,13H,12H2,(H,27,29)(H,30,31)/b9-6+	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
Celltech R&D Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human Heparanase				Bioorg Med Chem Lett 15: 2295-9 (2005) Article DOI: 10.1016/j.bmcl.2005.03.014 BindingDB Entry DOI: 10.7270/Q2BP029G
					More data for this Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1 (Candida albicans)	BDBM50149739 (CHEMBL182293 | {4-Oxo-5-[1-[4-phenethyloxy-3-(1-ph...) Show SMILES CC(Oc1cc(\C=C2/SC(=S)N(CC(O)=O)C2=O)ccc1OCCc1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H25NO5S2/c1-19(22-10-6-3-7-11-22)34-24-16-21(17-25-27(32)29(18-26(30)31)28(35)36-25)12-13-23(24)33-15-14-20-8-4-2-5-9-20/h2-13,16-17,19H,14-15,18H2,1H3,(H,30,31)/b25-17-	KEGG UniProtKB/SwissProt 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
Oxfordshire OX14 4YS Curated by ChEMBL					Assay Description In vitro inhibition of Candida albicans protein mannosyl transferase 1				Bioorg Med Chem Lett 14: 3975-8 (2004) Article DOI: 10.1016/j.bmcl.2004.05.050 BindingDB Entry DOI: 10.7270/Q22J6B96
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50147534 (1,3-Dioxo-2-[3-(5-phenyl-benzooxazol-2-yl)-4-propy...) Show SMILES CCCNc1ccc(cc1-c1nc2cc(ccc2o1)-c1ccccc1)N1C(=O)c2ccc(cc2C1=O)C(O)=O Show InChI InChI=1S/C31H23N3O5/c1-2-14-32-25-12-10-21(34-29(35)22-11-8-20(31(37)38)15-23(22)30(34)36)17-24(25)28-33-26-16-19(9-13-27(26)39-28)18-6-4-3-5-7-18/h3-13,15-17,32H,2,14H2,1H3,(H,37,38)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description In vivo inhibitory activity against human Heparanase				Bioorg Med Chem Lett 14: 3269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.03.086 BindingDB Entry DOI: 10.7270/Q2CC1040
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50165614 ((2-{4-[3-((E)-3-Chloro-2-fluoro-phenyl)-acryloylam...) Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)\C=C\c2cccc(Cl)c2F)c(F)c1 Show InChI InChI=1S/C24H15ClF2N2O4/c25-16-3-1-2-14(23(16)27)6-9-21(30)28-18-7-5-15(12-17(18)26)24-29-19-10-13(11-22(31)32)4-8-20(19)33-24/h1-10,12H,11H2,(H,28,30)(H,31,32)/b9-6+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human Heparanase				Bioorg Med Chem Lett 15: 2295-9 (2005) Article DOI: 10.1016/j.bmcl.2005.03.014 BindingDB Entry DOI: 10.7270/Q2BP029G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50165627 ((2-{4-[2-(3-Fluoro-4-methoxy-phenylcarbamoyl)-viny...) Show SMILES COc1ccc(NC(=O)\C=C\c2ccc(cc2)-c2nc3cc(CC(O)=O)ccc3o2)cc1F Show InChI InChI=1S/C25H19FN2O5/c1-32-21-10-8-18(14-19(21)26)27-23(29)11-5-15-2-6-17(7-3-15)25-28-20-12-16(13-24(30)31)4-9-22(20)33-25/h2-12,14H,13H2,1H3,(H,27,29)(H,30,31)/b11-5+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human Heparanase				Bioorg Med Chem Lett 15: 2295-9 (2005) Article DOI: 10.1016/j.bmcl.2005.03.014 BindingDB Entry DOI: 10.7270/Q2BP029G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50165638 ((2-{4-[2-(4-Cyano-phenylcarbamoyl)-vinyl]-2-fluoro...) Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(\C=C\C(=O)Nc2ccc(cc2)C#N)cc1F Show InChI InChI=1S/C25H16FN3O4/c26-20-11-15(5-10-23(30)28-18-6-1-16(14-27)2-7-18)3-8-19(20)25-29-21-12-17(13-24(31)32)4-9-22(21)33-25/h1-12H,13H2,(H,28,30)(H,31,32)/b10-5+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human Heparanase				Bioorg Med Chem Lett 15: 2295-9 (2005) Article DOI: 10.1016/j.bmcl.2005.03.014 BindingDB Entry DOI: 10.7270/Q2BP029G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50165640 (2-(4-(5-(2-chloro-4-(3-(2,4-dichlorophenyl)acrylam...) Show SMILES OC(=O)Cc1nc(cs1)-c1ccc(o1)-c1ccc(NC(=O)\C=C\c2ccc(Cl)cc2Cl)cc1Cl Show InChI InChI=1S/C24H15Cl3N2O4S/c25-14-3-1-13(17(26)9-14)2-8-22(30)28-15-4-5-16(18(27)10-15)20-6-7-21(33-20)19-12-34-23(29-19)11-24(31)32/h1-10,12H,11H2,(H,28,30)(H,31,32)/b8-2+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human Heparanase				Bioorg Med Chem Lett 15: 2295-9 (2005) Article DOI: 10.1016/j.bmcl.2005.03.014 BindingDB Entry DOI: 10.7270/Q2BP029G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50165624 ((2-{4-[3-((E)-2,4-Dichloro-phenyl)-acryloylamino]-...) Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)\C=C\c2ccc(Cl)cc2Cl)c(F)c1 Show InChI InChI=1S/C24H15Cl2FN2O4/c25-16-5-2-14(17(26)12-16)4-8-22(30)28-19-6-3-15(11-18(19)27)24-29-20-9-13(10-23(31)32)1-7-21(20)33-24/h1-9,11-12H,10H2,(H,28,30)(H,31,32)/b8-4+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human Heparanase				Bioorg Med Chem Lett 15: 2295-9 (2005) Article DOI: 10.1016/j.bmcl.2005.03.014 BindingDB Entry DOI: 10.7270/Q2BP029G
					More data for this Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1 (Candida albicans)	BDBM50149777 (CHEMBL366064 | {5-[1-[3-(Carbamoyl-phenyl-methoxy)...) Show SMILES NC(=O)C(Oc1cc(\C=C2/SC(=S)N(CC(O)=O)C2=O)ccc1OCCc1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H24N2O6S2/c29-26(33)25(20-9-5-2-6-10-20)36-22-15-19(16-23-27(34)30(17-24(31)32)28(37)38-23)11-12-21(22)35-14-13-18-7-3-1-4-8-18/h1-12,15-16,25H,13-14,17H2,(H2,29,33)(H,31,32)/b23-16-	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Oxfordshire OX14 4YS Curated by ChEMBL					Assay Description In vitro inhibition of Candida albicans protein mannosyl transferase 1				Bioorg Med Chem Lett 14: 3975-8 (2004) Article DOI: 10.1016/j.bmcl.2004.05.050 BindingDB Entry DOI: 10.7270/Q22J6B96
					More data for this Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1 (Candida albicans)	BDBM50149752 (CHEMBL361718 | {4-Oxo-5-[4-((R)-2-phenyl-butoxy)-3...) Show SMILES CC[C@@H](COc1ccc(\C=C2/SC(=S)N(CC(O)=O)C2=O)cc1O[C@H](c1ccccc1)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C30H26F3NO5S2/c1-2-20(21-9-5-3-6-10-21)18-38-23-14-13-19(16-25-28(37)34(17-26(35)36)29(40)41-25)15-24(23)39-27(30(31,32)33)22-11-7-4-8-12-22/h3-16,20,27H,2,17-18H2,1H3,(H,35,36)/b25-16-/t20-,27+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Oxfordshire OX14 4YS Curated by ChEMBL					Assay Description In vitro inhibition of Candida albicans protein mannosyl transferase 1				Bioorg Med Chem Lett 14: 3975-8 (2004) Article DOI: 10.1016/j.bmcl.2004.05.050 BindingDB Entry DOI: 10.7270/Q22J6B96
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50165621 ((2-{2-Chloro-4-[3-((E)-2,4-dichloro-phenyl)-acrylo...) Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)\C=C\c2ccc(Cl)cc2Cl)cc1Cl Show InChI InChI=1S/C24H15Cl3N2O4/c25-15-4-2-14(18(26)11-15)3-8-22(30)28-16-5-6-17(19(27)12-16)24-29-20-9-13(10-23(31)32)1-7-21(20)33-24/h1-9,11-12H,10H2,(H,28,30)(H,31,32)/b8-3+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human Heparanase				Bioorg Med Chem Lett 15: 2295-9 (2005) Article DOI: 10.1016/j.bmcl.2005.03.014 BindingDB Entry DOI: 10.7270/Q2BP029G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50147533 (2-(5-(5-(3,5-difluorophenyl)benzo[d]oxazol-2-yl)-2...) Show SMILES COc1ccc(cc1N1C(=O)c2ccc(cc2C1=O)C(O)=O)-c1nc2cc(ccc2o1)-c1cc(F)cc(F)c1 Show InChI InChI=1S/C29H16F2N2O6/c1-38-25-7-4-15(12-23(25)33-27(34)20-5-2-16(29(36)37)10-21(20)28(33)35)26-32-22-11-14(3-6-24(22)39-26)17-8-18(30)13-19(31)9-17/h2-13H,1H3,(H,36,37)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description In vivo inhibitory activity against human Heparanase				Bioorg Med Chem Lett 14: 3269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.03.086 BindingDB Entry DOI: 10.7270/Q2CC1040
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50147544 (2-(2-methoxy-5-(5-(4-(trifluoromethoxy)phenyl)benz...) Show SMILES COc1ccc(cc1N1C(=O)c2ccc(cc2C1=O)C(O)=O)-c1nc2cc(ccc2o1)-c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C30H17F3N2O7/c1-40-25-11-6-17(14-23(25)35-27(36)20-9-4-18(29(38)39)12-21(20)28(35)37)26-34-22-13-16(5-10-24(22)41-26)15-2-7-19(8-3-15)42-30(31,32)33/h2-14H,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	400	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description In vivo inhibitory activity against human Heparanase				Bioorg Med Chem Lett 14: 3269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.03.086 BindingDB Entry DOI: 10.7270/Q2CC1040
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50147522 (2-(4-(butylamino)-3-(5-phenylbenzo[d]oxazol-2-yl)p...) Show SMILES CCCCNc1ccc(cc1-c1nc2cc(ccc2o1)-c1ccccc1)N1C(=O)c2ccc(cc2C1=O)C(O)=O Show InChI InChI=1S/C32H25N3O5/c1-2-3-15-33-26-13-11-22(35-30(36)23-12-9-21(32(38)39)16-24(23)31(35)37)18-25(26)29-34-27-17-20(10-14-28(27)40-29)19-7-5-4-6-8-19/h4-14,16-18,33H,2-3,15H2,1H3,(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	400	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description In vivo inhibitory activity against human Heparanase				Bioorg Med Chem Lett 14: 3269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.03.086 BindingDB Entry DOI: 10.7270/Q2CC1040
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50147537 (2-(5-(5-(4-fluorophenyl)benzo[d]oxazol-2-yl)-2-met...) Show SMILES COc1ccc(cc1N1C(=O)c2ccc(cc2C1=O)C(O)=O)-c1nc2cc(ccc2o1)-c1ccc(F)cc1 Show InChI InChI=1S/C29H17FN2O6/c1-37-25-11-6-17(14-23(25)32-27(33)20-9-4-18(29(35)36)12-21(20)28(32)34)26-31-22-13-16(5-10-24(22)38-26)15-2-7-19(30)8-3-15/h2-14H,1H3,(H,35,36)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description In vivo inhibitory activity against human Heparanase				Bioorg Med Chem Lett 14: 3269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.03.086 BindingDB Entry DOI: 10.7270/Q2CC1040
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50165663 ((2-{4-[2-(4-Bromo-phenylcarbamoyl)-vinyl]-2-fluoro...) Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(\C=C\C(=O)Nc2ccc(Br)cc2)cc1F Show InChI InChI=1S/C24H16BrFN2O4/c25-16-4-6-17(7-5-16)27-22(29)10-3-14-1-8-18(19(26)11-14)24-28-20-12-15(13-23(30)31)2-9-21(20)32-24/h1-12H,13H2,(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
Celltech R&D Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human Heparanase				Bioorg Med Chem Lett 15: 2295-9 (2005) Article DOI: 10.1016/j.bmcl.2005.03.014 BindingDB Entry DOI: 10.7270/Q2BP029G
					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
Celltech R&D Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human Heparanase				Bioorg Med Chem Lett 15: 2295-9 (2005) Article DOI: 10.1016/j.bmcl.2005.03.014 BindingDB Entry DOI: 10.7270/Q2BP029G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50165652 ((2-{4-[3-((E)-4-Bromo-phenyl)-acryloylamino]-3-flu...) Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)\C=C\c2ccc(Br)cc2)c(F)c1 Show InChI InChI=1S/C24H16BrFN2O4/c25-17-6-1-14(2-7-17)4-10-22(29)27-19-8-5-16(13-18(19)26)24-28-20-11-15(12-23(30)31)3-9-21(20)32-24/h1-11,13H,12H2,(H,27,29)(H,30,31)/b10-4+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Celltech R&D Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human Heparanase				Bioorg Med Chem Lett 15: 2295-9 (2005) Article DOI: 10.1016/j.bmcl.2005.03.014 BindingDB Entry DOI: 10.7270/Q2BP029G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50165613 ((2-{4-[3-((E)-4-Bromo-phenyl)-acryloylamino]-2-chl...) Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)\C=C\c2ccc(Br)cc2)cc1Cl Show InChI InChI=1S/C24H16BrClN2O4/c25-16-5-1-14(2-6-16)4-10-22(29)27-17-7-8-18(19(26)13-17)24-28-20-11-15(12-23(30)31)3-9-21(20)32-24/h1-11,13H,12H2,(H,27,29)(H,30,31)/b10-4+	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
Celltech R&D Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human Heparanase				Bioorg Med Chem Lett 15: 2295-9 (2005) Article DOI: 10.1016/j.bmcl.2005.03.014 BindingDB Entry DOI: 10.7270/Q2BP029G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50165615 ((2-{4-[2-(2,4-Dichloro-phenylcarbamoyl)-vinyl]-phe...) Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(\C=C\C(=O)Nc2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C24H16Cl2N2O4/c25-17-7-8-19(18(26)13-17)27-22(29)10-4-14-1-5-16(6-2-14)24-28-20-11-15(12-23(30)31)3-9-21(20)32-24/h1-11,13H,12H2,(H,27,29)(H,30,31)/b10-4+	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
Celltech R&D Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human Heparanase				Bioorg Med Chem Lett 15: 2295-9 (2005) Article DOI: 10.1016/j.bmcl.2005.03.014 BindingDB Entry DOI: 10.7270/Q2BP029G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50165620 (2-(4-(5-(2-chloro-4-(3-(4-methoxyphenyl)acrylamido...) Show SMILES COc1ccc(\C=C\C(=O)Nc2ccc(-c3ccc(o3)-c3csc(CC(O)=O)n3)c(Cl)c2)cc1 Show InChI InChI=1S/C25H19ClN2O5S/c1-32-17-6-2-15(3-7-17)4-11-23(29)27-16-5-8-18(19(26)12-16)21-9-10-22(33-21)20-14-34-24(28-20)13-25(30)31/h2-12,14H,13H2,1H3,(H,27,29)(H,30,31)/b11-4+	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
Celltech R&D Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human Heparanase				Bioorg Med Chem Lett 15: 2295-9 (2005) Article DOI: 10.1016/j.bmcl.2005.03.014 BindingDB Entry DOI: 10.7270/Q2BP029G
					More data for this Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1 (Candida albicans)	BDBM50149774 (CHEMBL182467 | {4-Oxo-5-[4-((R)-2-phenyl-propoxy)-...) Show SMILES C[C@@H](COc1ccc(\C=C2/SC(=S)N(CC(O)=O)C2=O)cc1O[C@H](c1ccccc1)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C29H24F3NO5S2/c1-18(20-8-4-2-5-9-20)17-37-22-13-12-19(15-24-27(36)33(16-25(34)35)28(39)40-24)14-23(22)38-26(29(30,31)32)21-10-6-3-7-11-21/h2-15,18,26H,16-17H2,1H3,(H,34,35)/b24-15-/t18-,26+/m0/s1	KEGG UniProtKB/SwissProt 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
Oxfordshire OX14 4YS Curated by ChEMBL					Assay Description In vitro inhibition of Candida albicans protein mannosyl transferase 1				Bioorg Med Chem Lett 14: 3975-8 (2004) Article DOI: 10.1016/j.bmcl.2004.05.050 BindingDB Entry DOI: 10.7270/Q22J6B96
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50147539 (2-(2-methoxy-5-(5-(4-methoxyphenyl)benzo[d]oxazol-...) Show SMILES COc1ccc(cc1)-c1ccc2oc(nc2c1)-c1ccc(OC)c(c1)N1C(=O)c2ccc(cc2C1=O)C(O)=O Show InChI InChI=1S/C30H20N2O7/c1-37-20-8-3-16(4-9-20)17-6-11-25-23(14-17)31-27(39-25)18-7-12-26(38-2)24(15-18)32-28(33)21-10-5-19(30(35)36)13-22(21)29(32)34/h3-15H,1-2H3,(H,35,36)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description In vivo inhibitory activity against human Heparanase				Bioorg Med Chem Lett 14: 3269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.03.086 BindingDB Entry DOI: 10.7270/Q2CC1040
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50165642 ((4-{5-[2-Chloro-4-(3-phenyl-acryloylamino)-phenyl]...) Show SMILES OC(=O)Cc1nc(cs1)-c1ccc(o1)-c1ccc(NC(=O)\C=C\c2ccccc2)cc1Cl Show InChI InChI=1S/C24H17ClN2O4S/c25-18-12-16(26-22(28)11-6-15-4-2-1-3-5-15)7-8-17(18)20-9-10-21(31-20)19-14-32-23(27-19)13-24(29)30/h1-12,14H,13H2,(H,26,28)(H,29,30)/b11-6+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human Heparanase				Bioorg Med Chem Lett 15: 2295-9 (2005) Article DOI: 10.1016/j.bmcl.2005.03.014 BindingDB Entry DOI: 10.7270/Q2BP029G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50165643 ((2-{2-Fluoro-4-[2-(2-fluoro-4-methoxy-phenylcarbam...) Show SMILES COc1ccc(NC(=O)\C=C\c2ccc(-c3nc4cc(CC(O)=O)ccc4o3)c(F)c2)c(F)c1 Show InChI InChI=1S/C25H18F2N2O5/c1-33-16-5-7-20(19(27)13-16)28-23(30)9-4-14-2-6-17(18(26)10-14)25-29-21-11-15(12-24(31)32)3-8-22(21)34-25/h2-11,13H,12H2,1H3,(H,28,30)(H,31,32)/b9-4+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human Heparanase				Bioorg Med Chem Lett 15: 2295-9 (2005) Article DOI: 10.1016/j.bmcl.2005.03.014 BindingDB Entry DOI: 10.7270/Q2BP029G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50147517 (2-[3-[5-(4-Fluoro-phenyl)-benzooxazol-2-yl]-4-(2-m...) Show SMILES COCCNc1ccc(cc1-c1nc2cc(ccc2o1)-c1ccc(F)cc1)N1C(=O)c2ccc(cc2C1=O)C(O)=O Show InChI InChI=1S/C31H22FN3O6/c1-40-13-12-33-25-10-8-21(35-29(36)22-9-4-19(31(38)39)14-23(22)30(35)37)16-24(25)28-34-26-15-18(5-11-27(26)41-28)17-2-6-20(32)7-3-17/h2-11,14-16,33H,12-13H2,1H3,(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
Celltech R&D Ltd Curated by ChEMBL					Assay Description In vivo inhibitory activity against human Heparanase				Bioorg Med Chem Lett 14: 3269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.03.086 BindingDB Entry DOI: 10.7270/Q2CC1040
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50165659 ((2-{4-[2-(3-Bromo-phenylcarbamoyl)-vinyl]-phenyl}-...) Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(\C=C\C(=O)Nc2cccc(Br)c2)cc1 Show InChI InChI=1S/C24H17BrN2O4/c25-18-2-1-3-19(14-18)26-22(28)11-7-15-4-8-17(9-5-15)24-27-20-12-16(13-23(29)30)6-10-21(20)31-24/h1-12,14H,13H2,(H,26,28)(H,29,30)/b11-7+	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
Celltech R&D Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human Heparanase				Bioorg Med Chem Lett 15: 2295-9 (2005) Article DOI: 10.1016/j.bmcl.2005.03.014 BindingDB Entry DOI: 10.7270/Q2BP029G
					More data for this Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1 (Candida albicans)	BDBM50149744 (CHEMBL182588 | {4-Oxo-5-[1-[4-((S)-2-phenyl-butoxy...) Show SMILES CC[C@H](COc1ccc(\C=C2/SC(=S)N(CC(O)=O)C2=O)cc1O[C@H](c1ccccc1)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C30H26F3NO5S2/c1-2-20(21-9-5-3-6-10-21)18-38-23-14-13-19(16-25-28(37)34(17-26(35)36)29(40)41-25)15-24(23)39-27(30(31,32)33)22-11-7-4-8-12-22/h3-16,20,27H,2,17-18H2,1H3,(H,35,36)/b25-16-/t20-,27-/m1/s1	KEGG UniProtKB/SwissProt 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
Oxfordshire OX14 4YS Curated by ChEMBL					Assay Description In vitro inhibition of Candida albicans protein mannosyl transferase 1				Bioorg Med Chem Lett 14: 3975-8 (2004) Article DOI: 10.1016/j.bmcl.2004.05.050 BindingDB Entry DOI: 10.7270/Q22J6B96
					More data for this Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1 (Candida albicans)	BDBM50149764 (CHEMBL185312 | {4-Oxo-5-[3-((S)-1-phenyl-ethoxy)-4...) Show SMILES C[C@@H](COc1ccc(\C=C2/SC(=S)N(CC(O)=O)C2=O)cc1O[C@@H](C)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H27NO5S2/c1-19(22-9-5-3-6-10-22)18-34-24-14-13-21(15-25(24)35-20(2)23-11-7-4-8-12-23)16-26-28(33)30(17-27(31)32)29(36)37-26/h3-16,19-20H,17-18H2,1-2H3,(H,31,32)/b26-16-/t19-,20-/m0/s1	KEGG UniProtKB/SwissProt 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
Oxfordshire OX14 4YS Curated by ChEMBL					Assay Description In vitro inhibition of Candida albicans protein mannosyl transferase 1				Bioorg Med Chem Lett 14: 3975-8 (2004) Article DOI: 10.1016/j.bmcl.2004.05.050 BindingDB Entry DOI: 10.7270/Q22J6B96
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50147536 (2-(5-(5-(3-chlorophenyl)benzo[d]oxazol-2-yl)-2-met...) Show SMILES COc1ccc(cc1N1C(=O)c2ccc(cc2C1=O)C(O)=O)-c1nc2cc(ccc2o1)-c1cccc(Cl)c1 Show InChI InChI=1S/C29H17ClN2O6/c1-37-25-10-7-17(14-23(25)32-27(33)20-8-5-18(29(35)36)12-21(20)28(32)34)26-31-22-13-16(6-9-24(22)38-26)15-3-2-4-19(30)11-15/h2-14H,1H3,(H,35,36)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description In vivo inhibitory activity against human Heparanase				Bioorg Med Chem Lett 14: 3269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.03.086 BindingDB Entry DOI: 10.7270/Q2CC1040
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50147528 (2-(5-(5-(3,4-difluorophenyl)benzo[d]oxazol-2-yl)-2...) Show SMILES COc1ccc(cc1N1C(=O)c2ccc(cc2C1=O)C(O)=O)-c1nc2cc(ccc2o1)-c1ccc(F)c(F)c1 Show InChI InChI=1S/C29H16F2N2O6/c1-38-25-9-5-16(13-23(25)33-27(34)18-6-2-17(29(36)37)10-19(18)28(33)35)26-32-22-12-15(4-8-24(22)39-26)14-3-7-20(30)21(31)11-14/h2-13H,1H3,(H,36,37)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description In vivo inhibitory activity against human Heparanase				Bioorg Med Chem Lett 14: 3269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.03.086 BindingDB Entry DOI: 10.7270/Q2CC1040
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50165612 ((2-{4-[3-((E)-4-Bromo-phenyl)-acryloylamino]-pheny...) Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)\C=C\c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C24H17BrN2O4/c25-18-7-1-15(2-8-18)4-12-22(28)26-19-9-5-17(6-10-19)24-27-20-13-16(14-23(29)30)3-11-21(20)31-24/h1-13H,14H2,(H,26,28)(H,29,30)/b12-4+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human Heparanase				Bioorg Med Chem Lett 15: 2295-9 (2005) Article DOI: 10.1016/j.bmcl.2005.03.014 BindingDB Entry DOI: 10.7270/Q2BP029G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50165657 (2-(4-(5-(2-chloro-4-(3-(4-(trifluoromethoxy)phenyl...) Show SMILES OC(=O)Cc1nc(cs1)-c1ccc(o1)-c1ccc(NC(=O)\C=C\c2ccc(OC(F)(F)F)cc2)cc1Cl Show InChI InChI=1S/C25H16ClF3N2O5S/c26-18-11-15(30-22(32)10-3-14-1-5-16(6-2-14)36-25(27,28)29)4-7-17(18)20-8-9-21(35-20)19-13-37-23(31-19)12-24(33)34/h1-11,13H,12H2,(H,30,32)(H,33,34)/b10-3+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human Heparanase				Bioorg Med Chem Lett 15: 2295-9 (2005) Article DOI: 10.1016/j.bmcl.2005.03.014 BindingDB Entry DOI: 10.7270/Q2BP029G
					More data for this Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1 (Candida albicans)	BDBM50149741 (CHEMBL369344 | {4-Oxo-5-[1-[4-((S)-2-phenyl-propox...) Show SMILES C[C@H](COc1ccc(\C=C2/SC(=S)N(CC(O)=O)C2=O)cc1O[C@H](c1ccccc1)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C29H24F3NO5S2/c1-18(20-8-4-2-5-9-20)17-37-22-13-12-19(15-24-27(36)33(16-25(34)35)28(39)40-24)14-23(22)38-26(29(30,31)32)21-10-6-3-7-11-21/h2-15,18,26H,16-17H2,1H3,(H,34,35)/b24-15-/t18-,26-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Oxfordshire OX14 4YS Curated by ChEMBL					Assay Description In vitro inhibition of Candida albicans protein mannosyl transferase 1				Bioorg Med Chem Lett 14: 3975-8 (2004) Article DOI: 10.1016/j.bmcl.2004.05.050 BindingDB Entry DOI: 10.7270/Q22J6B96
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50165634 ((2-{4-[2-(4-Bromo-phenylcarbamoyl)-vinyl]-phenyl}-...) Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(\C=C\C(=O)Nc2ccc(Br)cc2)cc1 Show InChI InChI=1S/C24H17BrN2O4/c25-18-7-9-19(10-8-18)26-22(28)12-4-15-1-5-17(6-2-15)24-27-20-13-16(14-23(29)30)3-11-21(20)31-24/h1-13H,14H2,(H,26,28)(H,29,30)/b12-4+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human Heparanase				Bioorg Med Chem Lett 15: 2295-9 (2005) Article DOI: 10.1016/j.bmcl.2005.03.014 BindingDB Entry DOI: 10.7270/Q2BP029G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50165623 ((2-{4-[3-((E)-3-Chloro-phenyl)-acryloylamino]-3-fl...) Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)\C=C\c2cccc(Cl)c2)c(F)c1 Show InChI InChI=1S/C24H16ClFN2O4/c25-17-3-1-2-14(10-17)5-9-22(29)27-19-7-6-16(13-18(19)26)24-28-20-11-15(12-23(30)31)4-8-21(20)32-24/h1-11,13H,12H2,(H,27,29)(H,30,31)/b9-5+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human Heparanase				Bioorg Med Chem Lett 15: 2295-9 (2005) Article DOI: 10.1016/j.bmcl.2005.03.014 BindingDB Entry DOI: 10.7270/Q2BP029G
					More data for this Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1 (Candida albicans)	BDBM50149768 (CHEMBL424794 | {5-[1-[3-(2-Methyl-1-phenyl-propoxy...) Show SMILES CC(C)C(Oc1cc(\C=C2/SC(=S)N(CC(O)=O)C2=O)ccc1OCCc1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H29NO5S2/c1-20(2)28(23-11-7-4-8-12-23)36-25-17-22(18-26-29(34)31(19-27(32)33)30(37)38-26)13-14-24(25)35-16-15-21-9-5-3-6-10-21/h3-14,17-18,20,28H,15-16,19H2,1-2H3,(H,32,33)/b26-18-	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Oxfordshire OX14 4YS Curated by ChEMBL					Assay Description In vitro inhibition of Candida albicans protein mannosyl transferase 1				Bioorg Med Chem Lett 14: 3975-8 (2004) Article DOI: 10.1016/j.bmcl.2004.05.050 BindingDB Entry DOI: 10.7270/Q22J6B96
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50147535 (2-(5-(5-(benzo[d][1,3]dioxol-5-yl)benzo[d]oxazol-2...) Show SMILES COc1ccc(cc1N1C(=O)c2ccc(cc2C1=O)C(O)=O)-c1nc2cc(ccc2o1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C30H18N2O8/c1-37-24-8-5-17(12-22(24)32-28(33)19-6-2-18(30(35)36)10-20(19)29(32)34)27-31-21-11-15(3-7-23(21)40-27)16-4-9-25-26(13-16)39-14-38-25/h2-13H,14H2,1H3,(H,35,36)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description In vivo inhibitory activity against human Heparanase				Bioorg Med Chem Lett 14: 3269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.03.086 BindingDB Entry DOI: 10.7270/Q2CC1040
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50165619 ((2-{4-[3-((E)-3-Bromo-phenyl)-acryloylamino]-pheny...) Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)\C=C\c2cccc(Br)c2)cc1 Show InChI InChI=1S/C24H17BrN2O4/c25-18-3-1-2-15(12-18)5-11-22(28)26-19-8-6-17(7-9-19)24-27-20-13-16(14-23(29)30)4-10-21(20)31-24/h1-13H,14H2,(H,26,28)(H,29,30)/b11-5+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human Heparanase				Bioorg Med Chem Lett 15: 2295-9 (2005) Article DOI: 10.1016/j.bmcl.2005.03.014 BindingDB Entry DOI: 10.7270/Q2BP029G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50165607 ((2-{4-[3-((E)-3-Bromo-phenyl)-acryloylamino]-2-chl...) Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)\C=C\c2cccc(Br)c2)cc1Cl Show InChI InChI=1S/C24H16BrClN2O4/c25-16-3-1-2-14(10-16)5-9-22(29)27-17-6-7-18(19(26)13-17)24-28-20-11-15(12-23(30)31)4-8-21(20)32-24/h1-11,13H,12H2,(H,27,29)(H,30,31)/b9-5+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human Heparanase				Bioorg Med Chem Lett 15: 2295-9 (2005) Article DOI: 10.1016/j.bmcl.2005.03.014 BindingDB Entry DOI: 10.7270/Q2BP029G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50165662 ((2-{4-[3-((E)-3-Chloro-4-fluoro-phenyl)-acryloylam...) Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)\C=C\c2ccc(F)c(Cl)c2)c(F)c1 Show InChI InChI=1S/C24H15ClF2N2O4/c25-16-9-13(1-5-17(16)26)3-8-22(30)28-19-6-4-15(12-18(19)27)24-29-20-10-14(11-23(31)32)2-7-21(20)33-24/h1-10,12H,11H2,(H,28,30)(H,31,32)/b8-3+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human Heparanase				Bioorg Med Chem Lett 15: 2295-9 (2005) Article DOI: 10.1016/j.bmcl.2005.03.014 BindingDB Entry DOI: 10.7270/Q2BP029G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50165629 ((2-{4-[2-(2,4-Difluoro-phenylcarbamoyl)-vinyl]-2-f...) Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(\C=C\C(=O)Nc2ccc(F)cc2F)cc1F Show InChI InChI=1S/C24H15F3N2O4/c25-15-4-6-19(18(27)12-15)28-22(30)8-3-13-1-5-16(17(26)9-13)24-29-20-10-14(11-23(31)32)2-7-21(20)33-24/h1-10,12H,11H2,(H,28,30)(H,31,32)/b8-3+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human Heparanase				Bioorg Med Chem Lett 15: 2295-9 (2005) Article DOI: 10.1016/j.bmcl.2005.03.014 BindingDB Entry DOI: 10.7270/Q2BP029G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50147518 (2-{4-(2-Methoxy-ethylamino)-3-[5-(4-trifluorometho...) Show SMILES COCCNc1ccc(cc1-c1nc2cc(ccc2o1)-c1ccc(OC(F)(F)F)cc1)N1C(=O)c2ccc(cc2C1=O)C(O)=O Show InChI InChI=1S/C32H22F3N3O7/c1-43-13-12-36-25-10-6-20(38-29(39)22-9-4-19(31(41)42)14-23(22)30(38)40)16-24(25)28-37-26-15-18(5-11-27(26)44-28)17-2-7-21(8-3-17)45-32(33,34)35/h2-11,14-16,36H,12-13H2,1H3,(H,41,42)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description In vivo inhibitory activity against human Heparanase				Bioorg Med Chem Lett 14: 3269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.03.086 BindingDB Entry DOI: 10.7270/Q2CC1040
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50147519 (2-(5-(5-(2,4-difluorophenyl)benzo[d]oxazol-2-yl)-2...) Show SMILES COc1ccc(cc1N1C(=O)c2ccc(cc2C1=O)C(O)=O)-c1nc2cc(ccc2o1)-c1ccc(F)cc1F Show InChI InChI=1S/C29H16F2N2O6/c1-38-25-9-4-15(12-23(25)33-27(34)19-6-2-16(29(36)37)10-20(19)28(33)35)26-32-22-11-14(3-8-24(22)39-26)18-7-5-17(30)13-21(18)31/h2-13H,1H3,(H,36,37)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description In vivo inhibitory activity against human Heparanase				Bioorg Med Chem Lett 14: 3269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.03.086 BindingDB Entry DOI: 10.7270/Q2CC1040
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 163 total )  |  Next  |  Last  >>

Jump to: