Compile Data Set for Download or QSAR

Found 177 hits with Last Name = 'porter' and Initial = 'dw'   

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
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50048182 (CHEMBL3310787) Show SMILES OC[C@H]1C[C@@H]1c1nc(SCc2cccc(F)c2F)nc(O)c1C#N |r| Show InChI InChI=1S/C16H13F2N3O2S/c17-12-3-1-2-8(13(12)18)7-24-16-20-14(10-4-9(10)6-22)11(5-19)15(23)21-16/h1-3,9-10,22H,4,6-7H2,(H,20,21,23)/t9-,10+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human recombinant CXCR2 receptor expressed in CHO cell membranes by SPA based [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 24: 3285-90 (2014) Article DOI: 10.1016/j.bmcl.2014.06.011 BindingDB Entry DOI: 10.7270/Q2930VTJ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50048183 (CHEMBL3310788) Show SMILES NC(=O)[C@H]1C[C@@H]1c1nc(SCc2cccc(F)c2F)nc(O)c1C#N |r| Show InChI InChI=1S/C16H12F2N4O2S/c17-11-3-1-2-7(12(11)18)6-25-16-21-13(8-4-9(8)14(20)23)10(5-19)15(24)22-16/h1-3,8-9H,4,6H2,(H2,20,23)(H,21,22,24)/t8-,9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human recombinant CXCR2 receptor expressed in CHO cell membranes by SPA based [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 24: 3285-90 (2014) Article DOI: 10.1016/j.bmcl.2014.06.011 BindingDB Entry DOI: 10.7270/Q2930VTJ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50048181 (CHEMBL3310786) Show SMILES OC(=O)[C@H]1C[C@@H]1c1nc(SCc2cccc(F)c2F)nc(O)c1C#N |r| Show InChI InChI=1S/C16H11F2N3O3S/c17-11-3-1-2-7(12(11)18)6-25-16-20-13(8-4-9(8)15(23)24)10(5-19)14(22)21-16/h1-3,8-9H,4,6H2,(H,23,24)(H,20,21,22)/t8-,9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human recombinant CXCR2 receptor expressed in CHO cell membranes by SPA based [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 24: 3285-90 (2014) Article DOI: 10.1016/j.bmcl.2014.06.011 BindingDB Entry DOI: 10.7270/Q2930VTJ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50048228 (CHEMBL3310783) Show SMILES Oc1nc(SCc2cccc(F)c2F)nc(C2CC2)c1C#N Show InChI InChI=1S/C15H11F2N3OS/c16-11-3-1-2-9(12(11)17)7-22-15-19-13(8-4-5-8)10(6-18)14(21)20-15/h1-3,8H,4-5,7H2,(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]-GRO-alpha from human recombinant CXCR2 receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 24: 3285-90 (2014) Article DOI: 10.1016/j.bmcl.2014.06.011 BindingDB Entry DOI: 10.7270/Q2930VTJ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50048228 (CHEMBL3310783) Show SMILES Oc1nc(SCc2cccc(F)c2F)nc(C2CC2)c1C#N Show InChI InChI=1S/C15H11F2N3OS/c16-11-3-1-2-9(12(11)17)7-22-15-19-13(8-4-5-8)10(6-18)14(21)20-15/h1-3,8H,4-5,7H2,(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human recombinant CXCR2 receptor expressed in CHO cell membranes by SPA based [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 24: 3285-90 (2014) Article DOI: 10.1016/j.bmcl.2014.06.011 BindingDB Entry DOI: 10.7270/Q2930VTJ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50495186 (CHEMBL3105080) Show SMILES Oc1cc(CSc2cccc(F)c2F)nc2cc(nn12)-c1ccco1 Show InChI InChI=1S/C17H11F2N3O2S/c18-11-3-1-5-14(17(11)19)25-9-10-7-16(23)22-15(20-10)8-12(21-22)13-4-2-6-24-13/h1-8,23H,9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR2 receptor expressed in CHO cells assessed as inhibition of IL8-induced [35S]GTPgammaS binding by SPA me...				Bioorg Med Chem Lett 24: 72-6 (2014) Article DOI: 10.1016/j.bmcl.2013.11.074 BindingDB Entry DOI: 10.7270/Q2QR513C
					More data for this Ligand-Target Pair
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
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))	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))	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))	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
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50495172 (CHEMBL3105084) Show SMILES Oc1cc(CSc2cccc(F)c2F)nc2c3ccccc3nn12 Show InChI InChI=1S/C17H11F2N3OS/c18-12-5-3-7-14(16(12)19)24-9-10-8-15(23)22-17(20-10)11-4-1-2-6-13(11)21-22/h1-8,23H,9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR2 receptor expressed in CHO cells assessed as inhibition of IL8-induced [35S]GTPgammaS binding by SPA me...				Bioorg Med Chem Lett 24: 72-6 (2014) Article DOI: 10.1016/j.bmcl.2013.11.074 BindingDB Entry DOI: 10.7270/Q2QR513C
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50495184 (CHEMBL3105081) Show SMILES Oc1cc(CSc2cccc(F)c2F)nc2cc(nn12)-c1ccccn1 Show InChI InChI=1S/C18H12F2N4OS/c19-12-4-3-6-15(18(12)20)26-10-11-8-17(25)24-16(22-11)9-14(23-24)13-5-1-2-7-21-13/h1-9,25H,10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR2 receptor expressed in CHO cells assessed as inhibition of IL8-induced [35S]GTPgammaS binding by SPA me...				Bioorg Med Chem Lett 24: 72-6 (2014) Article DOI: 10.1016/j.bmcl.2013.11.074 BindingDB Entry DOI: 10.7270/Q2QR513C
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50048224 (CHEMBL3310794) Show SMILES Oc1cc(nc(SCc2cccc(F)c2F)n1)C1CC1 Show InChI InChI=1S/C14H12F2N2OS/c15-10-3-1-2-9(13(10)16)7-20-14-17-11(8-4-5-8)6-12(19)18-14/h1-3,6,8H,4-5,7H2,(H,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human recombinant CXCR2 receptor expressed in CHO cell membranes by SPA based [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 24: 3285-90 (2014) Article DOI: 10.1016/j.bmcl.2014.06.011 BindingDB Entry DOI: 10.7270/Q2930VTJ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50048180 (CHEMBL3310785) Show SMILES CCOC(=O)[C@H]1C[C@@H]1c1nc(SCc2cccc(F)c2F)nc(O)c1C#N |r| Show InChI InChI=1S/C18H15F2N3O3S/c1-2-26-17(25)11-6-10(11)15-12(7-21)16(24)23-18(22-15)27-8-9-4-3-5-13(19)14(9)20/h3-5,10-11H,2,6,8H2,1H3,(H,22,23,24)/t10-,11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human recombinant CXCR2 receptor expressed in CHO cell membranes by SPA based [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 24: 3285-90 (2014) Article DOI: 10.1016/j.bmcl.2014.06.011 BindingDB Entry DOI: 10.7270/Q2930VTJ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50495166 (CHEMBL3104912) Show SMILES Oc1cc(CSc2cccc(F)c2F)nc2nc(Cc3ccccc3)nn12 Show InChI InChI=1S/C19H14F2N4OS/c20-14-7-4-8-15(18(14)21)27-11-13-10-17(26)25-19(22-13)23-16(24-25)9-12-5-2-1-3-6-12/h1-8,10,26H,9,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]GRO-alpha from human recombinant CXCR2 receptor expressed in CHO cells				Bioorg Med Chem Lett 24: 72-6 (2014) Article DOI: 10.1016/j.bmcl.2013.11.074 BindingDB Entry DOI: 10.7270/Q2QR513C
					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
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
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50495166 (CHEMBL3104912) Show SMILES Oc1cc(CSc2cccc(F)c2F)nc2nc(Cc3ccccc3)nn12 Show InChI InChI=1S/C19H14F2N4OS/c20-14-7-4-8-15(18(14)21)27-11-13-10-17(26)25-19(22-13)23-16(24-25)9-12-5-2-1-3-6-12/h1-8,10,26H,9,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR2 receptor expressed in CHO cells assessed as inhibition of IL8-induced [35S]GTPgammaS binding by SPA me...				Bioorg Med Chem Lett 24: 72-6 (2014) Article DOI: 10.1016/j.bmcl.2013.11.074 BindingDB Entry DOI: 10.7270/Q2QR513C
					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))	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
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))	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))	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))	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
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50495159 (CHEMBL3105079) Show SMILES Oc1cc(CSc2cccc(F)c2F)nc2nc(CCc3ccccc3)nn12 Show InChI InChI=1S/C20H16F2N4OS/c21-15-7-4-8-16(19(15)22)28-12-14-11-18(27)26-20(23-14)24-17(25-26)10-9-13-5-2-1-3-6-13/h1-8,11,27H,9-10,12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR2 receptor expressed in CHO cells assessed as inhibition of IL8-induced [35S]GTPgammaS binding by SPA me...				Bioorg Med Chem Lett 24: 72-6 (2014) Article DOI: 10.1016/j.bmcl.2013.11.074 BindingDB Entry DOI: 10.7270/Q2QR513C
					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
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
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
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50048184 (CHEMBL3310789) Show SMILES Oc1nc(SCc2ccccc2)nc(C2CC2)c1C#N Show InChI InChI=1S/C15H13N3OS/c16-8-12-13(11-6-7-11)17-15(18-14(12)19)20-9-10-4-2-1-3-5-10/h1-5,11H,6-7,9H2,(H,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human recombinant CXCR2 receptor expressed in CHO cell membranes by SPA based [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 24: 3285-90 (2014) Article DOI: 10.1016/j.bmcl.2014.06.011 BindingDB Entry DOI: 10.7270/Q2930VTJ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50495165 (CHEMBL3105077) Show SMILES Oc1cc(CSc2cccc(F)c2F)nc2nc(nn12)C1CCCCC1 Show InChI InChI=1S/C18H18F2N4OS/c19-13-7-4-8-14(16(13)20)26-10-12-9-15(25)24-18(21-12)22-17(23-24)11-5-2-1-3-6-11/h4,7-9,11,25H,1-3,5-6,10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR2 receptor expressed in CHO cells assessed as inhibition of IL8-induced [35S]GTPgammaS binding by SPA me...				Bioorg Med Chem Lett 24: 72-6 (2014) Article DOI: 10.1016/j.bmcl.2013.11.074 BindingDB Entry DOI: 10.7270/Q2QR513C
					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
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
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
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50048244 (CHEMBL3310774) Show SMILES COc1ccc(cc1)-c1nc(SCc2cccc(F)c2F)nc(O)c1C#N Show InChI InChI=1S/C19H13F2N3O2S/c1-26-13-7-5-11(6-8-13)17-14(9-22)18(25)24-19(23-17)27-10-12-3-2-4-15(20)16(12)21/h2-8H,10H2,1H3,(H,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human recombinant CXCR2 receptor expressed in CHO cell membranes by SPA based [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 24: 3285-90 (2014) Article DOI: 10.1016/j.bmcl.2014.06.011 BindingDB Entry DOI: 10.7270/Q2930VTJ
					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
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50048249 (CHEMBL3310777) Show SMILES Oc1ccc(cc1)-c1nc(SCc2cccc(F)c2F)nc(O)c1C#N Show InChI InChI=1S/C18H11F2N3O2S/c19-14-3-1-2-11(15(14)20)9-26-18-22-16(13(8-21)17(25)23-18)10-4-6-12(24)7-5-10/h1-7,24H,9H2,(H,22,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human recombinant CXCR2 receptor expressed in CHO cell membranes by SPA based [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 24: 3285-90 (2014) Article DOI: 10.1016/j.bmcl.2014.06.011 BindingDB Entry DOI: 10.7270/Q2930VTJ
					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
Dolichyl-phosphate-mannose--protein mannosyltransferase 1 (Candida albicans)	BDBM50149749 (CHEMBL182291 | {5-[3-(Dipropylcarbamoyl-phenyl-met...) Show SMILES CCCN(CCC)C(=O)C(Oc1cc(\C=C2/SC(=S)N(CC(O)=O)C2=O)ccc1OCCc1ccccc1)c1ccccc1 Show InChI InChI=1S/C34H36N2O6S2/c1-3-18-35(19-4-2)33(40)31(26-13-9-6-10-14-26)42-28-21-25(22-29-32(39)36(23-30(37)38)34(43)44-29)15-16-27(28)41-20-17-24-11-7-5-8-12-24/h5-16,21-22,31H,3-4,17-20,23H2,1-2H3,(H,37,38)/b29-22-	KEGG UniProtKB/SwissProt 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
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))	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
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50495171 (CHEMBL3105085) Show SMILES Oc1cc(CSc2cccc(F)c2F)nc2ccnn12 Show InChI InChI=1S/C13H9F2N3OS/c14-9-2-1-3-10(13(9)15)20-7-8-6-12(19)18-11(17-8)4-5-16-18/h1-6,19H,7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR2 receptor expressed in CHO cells assessed as inhibition of IL8-induced [35S]GTPgammaS binding by SPA me...				Bioorg Med Chem Lett 24: 72-6 (2014) Article DOI: 10.1016/j.bmcl.2013.11.074 BindingDB Entry DOI: 10.7270/Q2QR513C
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50495182 (CHEMBL3104900) Show SMILES Oc1cc(CSc2ccccc2)nc2nc(Cc3ccccc3)nn12 Show InChI InChI=1S/C19H16N4OS/c24-18-12-15(13-25-16-9-5-2-6-10-16)20-19-21-17(22-23(18)19)11-14-7-3-1-4-8-14/h1-10,12,24H,11,13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR2 receptor expressed in CHO cells assessed as inhibition of IL8-induced [35S]GTPgammaS binding by SPA me...				Bioorg Med Chem Lett 24: 72-6 (2014) Article DOI: 10.1016/j.bmcl.2013.11.074 BindingDB Entry DOI: 10.7270/Q2QR513C
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50495174 (CHEMBL3105078) Show SMILES Oc1cc(CSc2cccc(F)c2F)nc2nc(nn12)-c1ccccc1 Show InChI InChI=1S/C18H12F2N4OS/c19-13-7-4-8-14(16(13)20)26-10-12-9-15(25)24-18(21-12)22-17(23-24)11-5-2-1-3-6-11/h1-9,25H,10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR2 receptor expressed in CHO cells assessed as inhibition of IL8-induced [35S]GTPgammaS binding by SPA me...				Bioorg Med Chem Lett 24: 72-6 (2014) Article DOI: 10.1016/j.bmcl.2013.11.074 BindingDB Entry DOI: 10.7270/Q2QR513C
					More data for this Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1 (Candida albicans)	BDBM50149758 ((5-{3-Benzyloxy-4-[2-(3,5-difluoro-phenyl)-ethoxy]...) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(OCCc3cc(F)cc(F)c3)c(OCc3ccccc3)c2)C1=O Show InChI InChI=1S/C27H21F2NO5S2/c28-20-10-19(11-21(29)14-20)8-9-34-22-7-6-18(12-23(22)35-16-17-4-2-1-3-5-17)13-24-26(33)30(15-25(31)32)27(36)37-24/h1-7,10-14H,8-9,15-16H2,(H,31,32)/b24-13-	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	850	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
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50495162 (CHEMBL3105082) Show SMILES Cc1ccoc1-c1cc2nc(CSc3cccc(F)c3F)cc(O)n2n1 Show InChI InChI=1S/C18H13F2N3O2S/c1-10-5-6-25-18(10)13-8-15-21-11(7-16(24)23(15)22-13)9-26-14-4-2-3-12(19)17(14)20/h2-8,24H,9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR2 receptor expressed in CHO cells assessed as inhibition of IL8-induced [35S]GTPgammaS binding by SPA me...				Bioorg Med Chem Lett 24: 72-6 (2014) Article DOI: 10.1016/j.bmcl.2013.11.074 BindingDB Entry DOI: 10.7270/Q2QR513C
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50147530 (2-(3-(5-(3,5-difluorophenyl)benzo[d]oxazol-2-yl)-4...) Show SMILES COc1ccc(cc1-c1nc2cc(ccc2o1)-c1cc(F)cc(F)c1)N1C(=O)c2ccc(cc2C1=O)C(O)=O Show InChI InChI=1S/C29H16F2N2O6/c1-38-24-7-4-19(33-27(34)20-5-2-15(29(36)37)10-21(20)28(33)35)13-22(24)26-32-23-11-14(3-6-25(23)39-26)16-8-17(30)12-18(31)9-16/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	900	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
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50048252 (CHEMBL3310780) Show SMILES CC(C)c1nc(SCc2cccc(F)c2F)nc(O)c1C#N Show InChI InChI=1S/C15H13F2N3OS/c1-8(2)13-10(6-18)14(21)20-15(19-13)22-7-9-4-3-5-11(16)12(9)17/h3-5,8H,7H2,1-2H3,(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human recombinant CXCR2 receptor expressed in CHO cell membranes by SPA based [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 24: 3285-90 (2014) Article DOI: 10.1016/j.bmcl.2014.06.011 BindingDB Entry DOI: 10.7270/Q2930VTJ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50495175 (CHEMBL3104914) Show SMILES CC(C)c1nc2nc(CSc3cccc(F)c3F)cc(O)n2n1 Show InChI InChI=1S/C15H14F2N4OS/c1-8(2)14-19-15-18-9(6-12(22)21(15)20-14)7-23-11-5-3-4-10(16)13(11)17/h3-6,8,22H,7H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR2 receptor expressed in CHO cells assessed as inhibition of IL8-induced [35S]GTPgammaS binding by SPA me...				Bioorg Med Chem Lett 24: 72-6 (2014) Article DOI: 10.1016/j.bmcl.2013.11.074 BindingDB Entry DOI: 10.7270/Q2QR513C
					More data for this Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1 (Candida albicans)	BDBM50149776 (CHEMBL367136 | {4-Oxo-5-[4-phenethyloxy-3-(1-pheny...) Show SMILES CCC(Oc1cc(\C=C2/SC(=S)N(CC(O)=O)C2=O)ccc1OCCc1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H27NO5S2/c1-2-23(22-11-7-4-8-12-22)35-25-17-21(18-26-28(33)30(19-27(31)32)29(36)37-26)13-14-24(25)34-16-15-20-9-5-3-6-10-20/h3-14,17-18,23H,2,15-16,19H2,1H3,(H,31,32)/b26-18-	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	950	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

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