Compile Data Set for Download or QSAR

Found 35 hits with Last Name = 'mccroskey' and Initial = 'rw'   

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
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50100403 (CHEMBL423296 | {3-[4-(4-Bromo-phenyl)-thiazol-2-yl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(Cc3nc(cs3)-c3ccc(Br)cc3)c2c1 Show InChI InChI=1S/C27H20BrClN2O2S/c1-16-22(14-26-30-24(15-34-26)17-3-7-19(28)8-4-17)23-13-21(33-2)11-12-25(23)31(16)27(32)18-5-9-20(29)10-6-18/h3-13,15H,14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Prostaglandin G/H synthase 2 cloned and expressed in baculovirus (Sf9)				Bioorg Med Chem Lett 11: 1325-8 (2001) BindingDB Entry DOI: 10.7270/Q2PG1R1K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50100395 (CHEMBL28155 | [3-(4-Benzo[b]thiophen-3-yl-thiazol-...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(Cc3nc(cs3)-c3csc4ccccc34)c2c1 Show InChI InChI=1S/C29H21ClN2O2S2/c1-17-22(14-28-31-25(16-36-28)24-15-35-27-6-4-3-5-21(24)27)23-13-20(34-2)11-12-26(23)32(17)29(33)18-7-9-19(30)10-8-18/h3-13,15-16H,14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Prostaglandin G/H synthase 2 cloned and expressed in baculovirus (Sf9)				Bioorg Med Chem Lett 11: 1325-8 (2001) BindingDB Entry DOI: 10.7270/Q2PG1R1K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50100404 ((4-Chloro-phenyl)-[5-methoxy-2-methyl-3-(4-naphtha...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(Cc3nc(cs3)-c3ccc4ccccc4c3)c2c1 Show InChI InChI=1S/C31H23ClN2O2S/c1-19-26(17-30-33-28(18-37-30)23-8-7-20-5-3-4-6-22(20)15-23)27-16-25(36-2)13-14-29(27)34(19)31(35)21-9-11-24(32)12-10-21/h3-16,18H,17H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Prostaglandin G/H synthase 2 cloned and expressed in baculovirus (Sf9)				Bioorg Med Chem Lett 11: 1325-8 (2001) BindingDB Entry DOI: 10.7270/Q2PG1R1K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50100401 ((4-Bromo-phenyl)-{3-[4-(4-chloro-phenyl)-thiazol-2...) Show SMILES COc1ccc2n(C(=O)c3ccc(Br)cc3)c(C)c(Cc3nc(cs3)-c3ccc(Cl)cc3)c2c1 Show InChI InChI=1S/C27H20BrClN2O2S/c1-16-22(14-26-30-24(15-34-26)17-5-9-20(29)10-6-17)23-13-21(33-2)11-12-25(23)31(16)27(32)18-3-7-19(28)8-4-18/h3-13,15H,14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Prostaglandin G/H synthase 2 cloned and expressed in baculovirus (Sf9)				Bioorg Med Chem Lett 11: 1325-8 (2001) BindingDB Entry DOI: 10.7270/Q2PG1R1K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50100400 ((4-Bromo-phenyl)-{5-methoxy-2-methyl-3-[4-(4-nitro...) Show SMILES COc1ccc2n(C(=O)c3ccc(Br)cc3)c(C)c(Cc3nc(cs3)-c3ccc(cc3)[N+]([O-])=O)c2c1 Show InChI InChI=1S/C27H20BrN3O4S/c1-16-22(14-26-29-24(15-36-26)17-5-9-20(10-6-17)31(33)34)23-13-21(35-2)11-12-25(23)30(16)27(32)18-3-7-19(28)8-4-18/h3-13,15H,14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Prostaglandin G/H synthase 2 cloned and expressed in baculovirus (Sf9)				Bioorg Med Chem Lett 11: 1325-8 (2001) BindingDB Entry DOI: 10.7270/Q2PG1R1K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50100396 (CHEMBL24407 | {3-[4-(3-Bromo-phenyl)-thiazol-2-ylm...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(Cc3nc(cs3)-c3cccc(Br)c3)c2c1 Show InChI InChI=1S/C27H20BrClN2O2S/c1-16-22(14-26-30-24(15-34-26)18-4-3-5-19(28)12-18)23-13-21(33-2)10-11-25(23)31(16)27(32)17-6-8-20(29)9-7-17/h3-13,15H,14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Prostaglandin G/H synthase 2 cloned and expressed in baculovirus (Sf9)				Bioorg Med Chem Lett 11: 1325-8 (2001) BindingDB Entry DOI: 10.7270/Q2PG1R1K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50100399 ((4-Chloro-phenyl)-{3-[4-(4-fluoro-phenyl)-thiazol-...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(Cc3nc(cs3)-c3ccc(F)cc3)c2c1 Show InChI InChI=1S/C27H20ClFN2O2S/c1-16-22(14-26-30-24(15-34-26)17-5-9-20(29)10-6-17)23-13-21(33-2)11-12-25(23)31(16)27(32)18-3-7-19(28)8-4-18/h3-13,15H,14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Prostaglandin G/H synthase 2 cloned and expressed in baculovirus (Sf9)				Bioorg Med Chem Lett 11: 1325-8 (2001) BindingDB Entry DOI: 10.7270/Q2PG1R1K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50100402 ((4-Chloro-phenyl)-{5-methoxy-2-methyl-3-[4-(4-nitr...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(Cc3nc(cs3)-c3ccc(cc3)[N+]([O-])=O)c2c1 Show InChI InChI=1S/C27H20ClN3O4S/c1-16-22(14-26-29-24(15-36-26)17-5-9-20(10-6-17)31(33)34)23-13-21(35-2)11-12-25(23)30(16)27(32)18-3-7-19(28)8-4-18/h3-13,15H,14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Prostaglandin G/H synthase 2 cloned and expressed in baculovirus (Sf9)				Bioorg Med Chem Lett 11: 1325-8 (2001) BindingDB Entry DOI: 10.7270/Q2PG1R1K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50100397 ((4-Chloro-phenyl)-{3-[4-(4-chloro-phenyl)-thiazol-...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(Cc3nc(cs3)-c3ccc(Cl)cc3)c2c1 Show InChI InChI=1S/C27H20Cl2N2O2S/c1-16-22(14-26-30-24(15-34-26)17-3-7-19(28)8-4-17)23-13-21(33-2)11-12-25(23)31(16)27(32)18-5-9-20(29)10-6-18/h3-13,15H,14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Prostaglandin G/H synthase 2 cloned and expressed in baculovirus (Sf9)				Bioorg Med Chem Lett 11: 1325-8 (2001) BindingDB Entry DOI: 10.7270/Q2PG1R1K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Prostaglandin G/H synthase 2 cloned and expressed in baculovirus (Sf9)				Bioorg Med Chem Lett 11: 1325-8 (2001) BindingDB Entry DOI: 10.7270/Q2PG1R1K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50100405 ((4-Bromo-phenyl)-{3-[4-(4-bromo-phenyl)-thiazol-2-...) Show SMILES COc1ccc2n(C(=O)c3ccc(Br)cc3)c(C)c(Cc3nc(cs3)-c3ccc(Br)cc3)c2c1 Show InChI InChI=1S/C27H20Br2N2O2S/c1-16-22(14-26-30-24(15-34-26)17-3-7-19(28)8-4-17)23-13-21(33-2)11-12-25(23)31(16)27(32)18-5-9-20(29)10-6-18/h3-13,15H,14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Prostaglandin G/H synthase 2 cloned and expressed in baculovirus (Sf9)				Bioorg Med Chem Lett 11: 1325-8 (2001) BindingDB Entry DOI: 10.7270/Q2PG1R1K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50100398 (4-{2-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-i...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(Cc3nc(cs3)-c3ccc(cc3)C(O)=O)c2c1 Show InChI InChI=1S/C28H21ClN2O4S/c1-16-22(14-26-30-24(15-36-26)17-3-5-19(6-4-17)28(33)34)23-13-21(35-2)11-12-25(23)31(16)27(32)18-7-9-20(29)10-8-18/h3-13,15H,14H2,1-2H3,(H,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Prostaglandin G/H synthase 2 cloned and expressed in baculovirus (Sf9)				Bioorg Med Chem Lett 11: 1325-8 (2001) BindingDB Entry DOI: 10.7270/Q2PG1R1K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50100394 (CHEMBL24687 | [3-(2-Amino-thiazol-4-ylmethyl)-5-me...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(Cc3csc(N)n3)c2c1 Show InChI InChI=1S/C21H18ClN3O2S/c1-12-17(9-15-11-28-21(23)24-15)18-10-16(27-2)7-8-19(18)25(12)20(26)13-3-5-14(22)6-4-13/h3-8,10-11H,9H2,1-2H3,(H2,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Prostaglandin G/H synthase 2 cloned and expressed in baculovirus (Sf9)				Bioorg Med Chem Lett 11: 1325-8 (2001) BindingDB Entry DOI: 10.7270/Q2PG1R1K
					More data for this Ligand-Target Pair
Tubulin beta-2B chain (Bos taurus)	BDBM50111568 (2-Methoxy-5-[5-(3,4,5-trimethoxy-phenyl)-3H-imidaz...) Show SMILES COc1ccc(cc1N)-c1nc[nH]c1-c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C19H21N3O4/c1-23-14-6-5-11(7-13(14)20)17-18(22-10-21-17)12-8-15(24-2)19(26-4)16(9-12)25-3/h5-10H,20H2,1-4H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Concentration needed to inhibit tubulin polymerization by 50%				J Med Chem 45: 1697-711 (2002) BindingDB Entry DOI: 10.7270/Q2QJ7GKQ
					More data for this Ligand-Target Pair
Tubulin beta-2B chain (Bos taurus)	BDBM50111579 (2-Methoxy-5-[5-(3,4,5-trimethoxy-phenyl)-3H-imidaz...) Show SMILES COc1ccc(cc1O)-c1nc[nH]c1-c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C19H20N2O5/c1-23-14-6-5-11(7-13(14)22)17-18(21-10-20-17)12-8-15(24-2)19(26-4)16(9-12)25-3/h5-10,22H,1-4H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Concentration needed to inhibit tubulin polymerization by 50%				J Med Chem 45: 1697-711 (2002) BindingDB Entry DOI: 10.7270/Q2QJ7GKQ
					More data for this Ligand-Target Pair
Tubulin beta-2B chain (Bos taurus)	BDBM50111574 (1-Methyl-5-[4-(3,4,5-trimethoxy-phenyl)-oxazol-5-y...) Show SMILES COc1cc(cc(OC)c1OC)-c1ncoc1-c1ccc2n(C)ccc2c1 Show InChI InChI=1S/C21H20N2O4/c1-23-8-7-13-9-14(5-6-16(13)23)20-19(22-12-27-20)15-10-17(24-2)21(26-4)18(11-15)25-3/h5-12H,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Concentration needed to inhibit tubulin polymerization by 50%				J Med Chem 45: 1697-711 (2002) BindingDB Entry DOI: 10.7270/Q2QJ7GKQ
					More data for this Ligand-Target Pair
Tubulin beta-2B chain (Bos taurus)	BDBM50111554 (CHEMBL296066 | Dimethyl-{4-[4-(3,4,5-trimethoxy-ph...) Show SMILES COc1cc(cc(OC)c1OC)-c1ncoc1-c1ccc(cc1)N(C)C Show InChI InChI=1S/C20H22N2O4/c1-22(2)15-8-6-13(7-9-15)19-18(21-12-26-19)14-10-16(23-3)20(25-5)17(11-14)24-4/h6-12H,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Concentration needed to inhibit tubulin polymerization by 50%				J Med Chem 45: 1697-711 (2002) BindingDB Entry DOI: 10.7270/Q2QJ7GKQ
					More data for this Ligand-Target Pair
Tubulin beta-2B chain (Bos taurus)	BDBM50111558 (2-Methoxy-5-[4-(3,4,5-trimethoxy-phenyl)-oxazol-5-...) Show SMILES COc1ccc(cc1N)-c1ocnc1-c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C19H20N2O5/c1-22-14-6-5-11(7-13(14)20)18-17(21-10-26-18)12-8-15(23-2)19(25-4)16(9-12)24-3/h5-10H,20H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	920	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Concentration needed to inhibit tubulin polymerization by 50%				J Med Chem 45: 1697-711 (2002) BindingDB Entry DOI: 10.7270/Q2QJ7GKQ
					More data for this Ligand-Target Pair
Tubulin beta-2B chain (Bos taurus)	BDBM50111567 (2-Methoxy-5-[4-(3,4,5-trimethoxy-phenyl)-oxazol-5-...) Show SMILES COc1ccc(cc1O)-c1ocnc1-c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C19H19NO6/c1-22-14-6-5-11(7-13(14)21)18-17(20-10-26-18)12-8-15(23-2)19(25-4)16(9-12)24-3/h5-10,21H,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Concentration needed to inhibit tubulin polymerization by 50%				J Med Chem 45: 1697-711 (2002) BindingDB Entry DOI: 10.7270/Q2QJ7GKQ
					More data for this Ligand-Target Pair
Tubulin beta-2B chain (Bos taurus)	BDBM50111566 (1-Methyl-6-[5-(3,4,5-trimethoxy-phenyl)-3H-imidazo...) Show SMILES COc1cc(cc(OC)c1OC)-c1[nH]cnc1-c1ccc2ccn(C)c2c1 Show InChI InChI=1S/C21H21N3O3/c1-24-8-7-13-5-6-14(9-16(13)24)19-20(23-12-22-19)15-10-17(25-2)21(27-4)18(11-15)26-3/h5-12H,1-4H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Concentration needed to inhibit tubulin polymerization by 50%				J Med Chem 45: 1697-711 (2002) BindingDB Entry DOI: 10.7270/Q2QJ7GKQ
					More data for this Ligand-Target Pair
Tubulin beta-2B chain (Bos taurus)	BDBM50005480 ((-)-combretastatin | (Z)-3'-hydroxy-3,4,4',5-tetra...) Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O Show InChI InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Concentration needed to inhibit tubulin polymerization by 50%				J Med Chem 45: 1697-711 (2002) BindingDB Entry DOI: 10.7270/Q2QJ7GKQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tubulin beta-2B chain (Bos taurus)	BDBM50111555 (1-Methyl-5-[3-(3,4,5-trimethoxy-phenyl)-3H-imidazo...) Show SMILES COc1cc(cc(OC)c1OC)-n1cncc1-c1ccc2n(C)ccc2c1 Show InChI InChI=1S/C21H21N3O3/c1-23-8-7-15-9-14(5-6-17(15)23)18-12-22-13-24(18)16-10-19(25-2)21(27-4)20(11-16)26-3/h5-13H,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Concentration needed to inhibit tubulin polymerization by 50%				J Med Chem 45: 1697-711 (2002) BindingDB Entry DOI: 10.7270/Q2QJ7GKQ
					More data for this Ligand-Target Pair
Tubulin beta-2B chain (Bos taurus)	BDBM50111569 (1-Methyl-6-[3-methyl-5-(3,4,5-trimethoxy-phenyl)-3...) Show SMILES COc1cc(cc(OC)c1OC)-c1ncn(C)c1-c1ccc2ccn(C)c2c1 Show InChI InChI=1S/C22H23N3O3/c1-24-9-8-14-6-7-15(10-17(14)24)21-20(23-13-25(21)2)16-11-18(26-3)22(28-5)19(12-16)27-4/h6-13H,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Concentration needed to inhibit tubulin polymerization by 50%				J Med Chem 45: 1697-711 (2002) BindingDB Entry DOI: 10.7270/Q2QJ7GKQ
					More data for this Ligand-Target Pair
Tubulin beta-2B chain (Bos taurus)	BDBM50111580 (5-(4-Methoxy-phenyl)-4-(3,4,5-trimethoxy-phenyl)-1...) Show SMILES COc1ccc(cc1)-c1nc[nH]c1-c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C19H20N2O4/c1-22-14-7-5-12(6-8-14)17-18(21-11-20-17)13-9-15(23-2)19(25-4)16(10-13)24-3/h5-11H,1-4H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Concentration needed to inhibit tubulin polymerization by 50%				J Med Chem 45: 1697-711 (2002) BindingDB Entry DOI: 10.7270/Q2QJ7GKQ
					More data for this Ligand-Target Pair
Tubulin beta-2B chain (Bos taurus)	BDBM50111570 (CHEMBL296406 | Dimethyl-{4-[5-(3,4,5-trimethoxy-ph...) Show SMILES COc1cc(cc(OC)c1OC)-c1[nH]cnc1-c1ccc(cc1)N(C)C Show InChI InChI=1S/C20H23N3O3/c1-23(2)15-8-6-13(7-9-15)18-19(22-12-21-18)14-10-16(24-3)20(26-5)17(11-14)25-4/h6-12H,1-5H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Concentration needed to inhibit tubulin polymerization by 50%				J Med Chem 45: 1697-711 (2002) BindingDB Entry DOI: 10.7270/Q2QJ7GKQ
					More data for this Ligand-Target Pair
Tubulin beta-2B chain (Bos taurus)	BDBM50111578 (2-Methoxy-5-[3-(3,4,5-trimethoxy-phenyl)-3H-imidaz...) Show SMILES COc1ccc(cc1O)-c1cncn1-c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C19H20N2O5/c1-23-16-6-5-12(7-15(16)22)14-10-20-11-21(14)13-8-17(24-2)19(26-4)18(9-13)25-3/h5-11,22H,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Concentration needed to inhibit tubulin polymerization by 50%				J Med Chem 45: 1697-711 (2002) BindingDB Entry DOI: 10.7270/Q2QJ7GKQ
					More data for this Ligand-Target Pair
Tubulin beta-2B chain (Bos taurus)	BDBM50111562 (2-Methoxy-5-[3-(3,4,5-trimethoxy-phenyl)-3H-imidaz...) Show SMILES COc1ccc(cc1N)-c1cncn1-c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C19H21N3O4/c1-23-16-6-5-12(7-14(16)20)15-10-21-11-22(15)13-8-17(24-2)19(26-4)18(9-13)25-3/h5-11H,20H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Concentration needed to inhibit tubulin polymerization by 50%				J Med Chem 45: 1697-711 (2002) BindingDB Entry DOI: 10.7270/Q2QJ7GKQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against human recombinant Prostaglandin G/H synthase 1 cloned and expressed in baculovirus (Sf9)				Bioorg Med Chem Lett 11: 1325-8 (2001) BindingDB Entry DOI: 10.7270/Q2PG1R1K
					More data for this Ligand-Target Pair
Tubulin beta-2B chain (Bos taurus)	BDBM50111556 (CHEMBL297236 | Dimethyl-{4-[3-(3,4,5-trimethoxy-ph...) Show SMILES COc1cc(cc(OC)c1OC)-n1cncc1-c1ccc(cc1)N(C)C Show InChI InChI=1S/C20H23N3O3/c1-22(2)15-8-6-14(7-9-15)17-12-21-13-23(17)16-10-18(24-3)20(26-5)19(11-16)25-4/h6-13H,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Concentration needed to inhibit tubulin polymerization by 50%				J Med Chem 45: 1697-711 (2002) BindingDB Entry DOI: 10.7270/Q2QJ7GKQ
					More data for this Ligand-Target Pair
Tubulin beta-2B chain (Bos taurus)	BDBM50111559 (2-Methoxy-5-[3-methyl-5-(3,4,5-trimethoxy-phenyl)-...) Show SMILES COc1ccc(cc1N)-c1c(ncn1C)-c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C20H23N3O4/c1-23-11-22-18(19(23)12-6-7-15(24-2)14(21)8-12)13-9-16(25-3)20(27-5)17(10-13)26-4/h6-11H,21H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Concentration needed to inhibit tubulin polymerization by 50%				J Med Chem 45: 1697-711 (2002) BindingDB Entry DOI: 10.7270/Q2QJ7GKQ
					More data for this Ligand-Target Pair
Tubulin beta-2B chain (Bos taurus)	BDBM50111561 (CHEMBL47112 | Dimethyl-{4-[1-(3,4,5-trimethoxy-phe...) Show SMILES COc1cc(cc(OC)c1OC)-n1ccnc1-c1ccc(cc1)N(C)C Show InChI InChI=1S/C20H23N3O3/c1-22(2)15-8-6-14(7-9-15)20-21-10-11-23(20)16-12-17(24-3)19(26-5)18(13-16)25-4/h6-13H,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Concentration needed to inhibit tubulin polymerization by 50%				J Med Chem 45: 1697-711 (2002) BindingDB Entry DOI: 10.7270/Q2QJ7GKQ
					More data for this Ligand-Target Pair
Tubulin beta-2B chain (Bos taurus)	BDBM50111582 (1-Methyl-5-[3-(3,4,5-trimethoxy-phenyl)-3H-imidazo...) Show SMILES COc1cc(cc(OC)c1OC)-n1cncc1-c1ccc2N(C)CCc2c1 Show InChI InChI=1S/C21H23N3O3/c1-23-8-7-15-9-14(5-6-17(15)23)18-12-22-13-24(18)16-10-19(25-2)21(27-4)20(11-16)26-3/h5-6,9-13H,7-8H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Concentration needed to inhibit tubulin polymerization by 50%				J Med Chem 45: 1697-711 (2002) BindingDB Entry DOI: 10.7270/Q2QJ7GKQ
					More data for this Ligand-Target Pair
Tubulin beta-2B chain (Bos taurus)	BDBM50111565 (5-[3-(3,4,5-Trimethoxy-phenyl)-3H-imidazol-4-yl]-1...) Show SMILES COc1cc(cc(OC)c1OC)-n1cncc1-c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C20H19N3O3/c1-24-18-9-15(10-19(25-2)20(18)26-3)23-12-21-11-17(23)14-4-5-16-13(8-14)6-7-22-16/h4-12,22H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Concentration needed to inhibit tubulin polymerization by 50%				J Med Chem 45: 1697-711 (2002) BindingDB Entry DOI: 10.7270/Q2QJ7GKQ
					More data for this Ligand-Target Pair
Tubulin beta-2B chain (Bos taurus)	BDBM50111576 (CHEMBL297018 | Dimethyl-{4-[5-(3,4,5-trimethoxy-ph...) Show SMILES COc1cc(cc(OC)c1OC)-c1cncn1-c1ccc(cc1)N(C)C Show InChI InChI=1S/C20H23N3O3/c1-22(2)15-6-8-16(9-7-15)23-13-21-12-17(23)14-10-18(24-3)20(26-5)19(11-14)25-4/h6-13H,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Concentration needed to inhibit tubulin polymerization by 50%				J Med Chem 45: 1697-711 (2002) BindingDB Entry DOI: 10.7270/Q2QJ7GKQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50100394 (CHEMBL24687 | [3-(2-Amino-thiazol-4-ylmethyl)-5-me...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(Cc3csc(N)n3)c2c1 Show InChI InChI=1S/C21H18ClN3O2S/c1-12-17(9-15-11-28-21(23)24-15)18-10-16(27-2)7-8-19(18)25(12)20(26)13-3-5-14(22)6-4-13/h3-8,10-11H,9H2,1-2H3,(H2,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.55E+7	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against human recombinant Prostaglandin G/H synthase 1 cloned and expressed in baculovirus (Sf9)				Bioorg Med Chem Lett 11: 1325-8 (2001) BindingDB Entry DOI: 10.7270/Q2PG1R1K
					More data for this Ligand-Target Pair