Compile Data Set for Download or QSAR

Found 51 hits with Last Name = 'gebbia' and Initial = 'n'   

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
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM12578 (2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...) Show SMILES OC(Cn1ccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Ferrara Curated by ChEMBL					Assay Description Inhibition of human FPP synthase expressed in Escherichia coli BL21 (DE3)				J Med Chem 51: 6800-7 (2008) Article DOI: 10.1021/jm801003y BindingDB Entry DOI: 10.7270/Q2F76CD8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50273714 (CHEMBL446734 | [2-(Imidazol-1-yl)ethyl]-bisphospho...) Show SMILES OP(O)(=O)C(Cn1ccnc1)P(O)(O)=O Show InChI InChI=1S/C5H10N2O6P2/c8-14(9,10)5(15(11,12)13)3-7-2-1-6-4-7/h1-2,4-5H,3H2,(H2,8,9,10)(H2,11,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.03	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Ferrara Curated by ChEMBL					Assay Description Inhibition of human FPP synthase expressed in Escherichia coli BL21 (DE3)				J Med Chem 51: 6800-7 (2008) Article DOI: 10.1021/jm801003y BindingDB Entry DOI: 10.7270/Q2F76CD8
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50273716 (CHEMBL457423 | [2-(Benzoimidazol-1-yl)ethyl]-bisph...) Show SMILES OP(O)(=O)C(Cn1cnc2ccccc12)P(O)(O)=O Show InChI InChI=1S/C9H12N2O6P2/c12-18(13,14)9(19(15,16)17)5-11-6-10-7-3-1-2-4-8(7)11/h1-4,6,9H,5H2,(H2,12,13,14)(H2,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16.1	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Ferrara Curated by ChEMBL					Assay Description Inhibition of human FPP synthase expressed in Escherichia coli BL21 (DE3)				J Med Chem 51: 6800-7 (2008) Article DOI: 10.1021/jm801003y BindingDB Entry DOI: 10.7270/Q2F76CD8
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50273717 (CHEMBL504429 | [2-(Imidazol-2-yl-thio)ethyl]-bisph...) Show SMILES OP(O)(=O)C(CSc1ncc[nH]1)P(O)(O)=O Show InChI InChI=1S/C5H10N2O6P2S/c8-14(9,10)4(15(11,12)13)3-16-5-6-1-2-7-5/h1-2,4H,3H2,(H,6,7)(H2,8,9,10)(H2,11,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	28.1	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Ferrara Curated by ChEMBL					Assay Description Inhibition of human FPP synthase expressed in Escherichia coli BL21 (DE3)				J Med Chem 51: 6800-7 (2008) Article DOI: 10.1021/jm801003y BindingDB Entry DOI: 10.7270/Q2F76CD8
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50273718 (CHEMBL457424 | [2-(Purin-9-yl)ethyl]-bisphosphonic...) Show SMILES OP(O)(=O)C(Cn1cnc2cncnc12)P(O)(O)=O Show InChI InChI=1S/C7H10N4O6P2/c12-18(13,14)6(19(15,16)17)2-11-4-10-5-1-8-3-9-7(5)11/h1,3-4,6H,2H2,(H2,12,13,14)(H2,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	388	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Ferrara Curated by ChEMBL					Assay Description Inhibition of human FPP synthase expressed in Escherichia coli BL21 (DE3)				J Med Chem 51: 6800-7 (2008) Article DOI: 10.1021/jm801003y BindingDB Entry DOI: 10.7270/Q2F76CD8
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50273799 (CHEMBL452354 | [2-(6-Chloro-purin-9-yl)ethyl]-bisp...) Show SMILES OP(O)(=O)C(Cn1cnc2c(Cl)ncnc12)P(O)(O)=O Show InChI InChI=1S/C7H9ClN4O6P2/c8-6-5-7(10-2-9-6)12(3-11-5)1-4(19(13,14)15)20(16,17)18/h2-4H,1H2,(H2,13,14,15)(H2,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	883	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Ferrara Curated by ChEMBL					Assay Description Inhibition of human FPP synthase expressed in Escherichia coli BL21 (DE3)				J Med Chem 51: 6800-7 (2008) Article DOI: 10.1021/jm801003y BindingDB Entry DOI: 10.7270/Q2F76CD8
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50273715 (CHEMBL457069 | [2-(Pyrazol-1-yl)ethyl]-bisphosphon...) Show SMILES OP(O)(=O)C(Cn1cccn1)P(O)(O)=O Show InChI InChI=1S/C5H10N2O6P2/c8-14(9,10)5(15(11,12)13)4-7-3-1-2-6-7/h1-3,5H,4H2,(H2,8,9,10)(H2,11,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Ferrara Curated by ChEMBL					Assay Description Inhibition of human FPP synthase expressed in Escherichia coli BL21 (DE3)				J Med Chem 51: 6800-7 (2008) Article DOI: 10.1021/jm801003y BindingDB Entry DOI: 10.7270/Q2F76CD8
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50186763 (4,3'',5''-trimethoxy-[1,1';2',1'']-terphenyl | CHE...) Show SMILES COc1ccc(cc1)-c1ccccc1-c1cc(OC)cc(OC)c1 Show InChI InChI=1S/C21H20O3/c1-22-17-10-8-15(9-11-17)20-6-4-5-7-21(20)16-12-18(23-2)14-19(13-16)24-3/h4-14H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Antiproliferative activity against human K562 cell line expressing Bcr-Abl				J Med Chem 49: 3012-8 (2006) Article DOI: 10.1021/jm060253o BindingDB Entry DOI: 10.7270/Q2R49RKZ
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50186764 (2-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-6-methoxyphen...) Show SMILES COc1cc(OC)cc(\C=C\c2cccc(OC)c2O)c1 Show InChI InChI=1S/C17H18O4/c1-19-14-9-12(10-15(11-14)20-2)7-8-13-5-4-6-16(21-3)17(13)18/h4-11,18H,1-3H3/b8-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Antiproliferative activity against human K562 cell line expressing Bcr-Abl				J Med Chem 49: 3012-8 (2006) Article DOI: 10.1021/jm060253o BindingDB Entry DOI: 10.7270/Q2R49RKZ
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50186757 (CHEMBL208098 | [1,1';2',1'']-terphenyl-4,3'',5''-t...) Show SMILES Oc1ccc(cc1)-c1ccccc1-c1cc(O)cc(O)c1 Show InChI InChI=1S/C18H14O3/c19-14-7-5-12(6-8-14)17-3-1-2-4-18(17)13-9-15(20)11-16(21)10-13/h1-11,19-21H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Antiproliferative activity against human K562 cell line expressing Bcr-Abl				J Med Chem 49: 3012-8 (2006) Article DOI: 10.1021/jm060253o BindingDB Entry DOI: 10.7270/Q2R49RKZ
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM23928 (1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]be...) Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1 Show InChI InChI=1S/C17H18O3/c1-18-15-8-6-13(7-9-15)4-5-14-10-16(19-2)12-17(11-14)20-3/h4-12H,1-3H3/b5-4+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Antiproliferative activity against MDR human HL60R cell line				J Med Chem 49: 3012-8 (2006) Article DOI: 10.1021/jm060253o BindingDB Entry DOI: 10.7270/Q2R49RKZ
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50131688 ((E)-4-(3,5-dimethoxystyryl)phenol | 3,5-Dimethoxy-...) Show SMILES COc1cc(OC)cc(\C=C\c2ccc(O)cc2)c1 Show InChI InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Antiproliferative activity against human K562 cell line expressing Bcr-Abl				J Med Chem 49: 3012-8 (2006) Article DOI: 10.1021/jm060253o BindingDB Entry DOI: 10.7270/Q2R49RKZ
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50186761 (4,3'',5''-trimethoxy-[1,1';3',1'']-terphenyl | CHE...) Show SMILES COc1ccc(cc1)-c1cccc(c1)-c1cc(OC)cc(OC)c1 Show InChI InChI=1S/C21H20O3/c1-22-19-9-7-15(8-10-19)16-5-4-6-17(11-16)18-12-20(23-2)14-21(13-18)24-3/h4-14H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Antiproliferative activity against human K562 cell line expressing Bcr-Abl				J Med Chem 49: 3012-8 (2006) Article DOI: 10.1021/jm060253o BindingDB Entry DOI: 10.7270/Q2R49RKZ
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM23928 (1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]be...) Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1 Show InChI InChI=1S/C17H18O3/c1-18-15-8-6-13(7-9-15)4-5-14-10-16(19-2)12-17(11-14)20-3/h4-12H,1-3H3/b5-4+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Antiproliferative activity against human K562 cell line expressing Bcr-Abl				J Med Chem 49: 3012-8 (2006) Article DOI: 10.1021/jm060253o BindingDB Entry DOI: 10.7270/Q2R49RKZ
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50186757 (CHEMBL208098 | [1,1';2',1'']-terphenyl-4,3'',5''-t...) Show SMILES Oc1ccc(cc1)-c1ccccc1-c1cc(O)cc(O)c1 Show InChI InChI=1S/C18H14O3/c19-14-7-5-12(6-8-14)17-3-1-2-4-18(17)13-9-15(20)11-16(21)10-13/h1-11,19-21H	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Antiproliferative activity against MDR human HL60R cell line				J Med Chem 49: 3012-8 (2006) Article DOI: 10.1021/jm060253o BindingDB Entry DOI: 10.7270/Q2R49RKZ
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50186755 (3'',5''-dimethoxy-[1,1';2',1'']-terphenyl-4-ol | C...) Show SMILES COc1cc(OC)cc(c1)-c1ccccc1-c1ccc(O)cc1 Show InChI InChI=1S/C20H18O3/c1-22-17-11-15(12-18(13-17)23-2)20-6-4-3-5-19(20)14-7-9-16(21)10-8-14/h3-13,21H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Antiproliferative activity against human K562 cell line expressing Bcr-Abl				J Med Chem 49: 3012-8 (2006) Article DOI: 10.1021/jm060253o BindingDB Entry DOI: 10.7270/Q2R49RKZ
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50186750 (3'',5''-dimethoxy-[1,1';3',1'']-terphenyl-4-ol | C...) Show SMILES COc1cc(OC)cc(c1)-c1cccc(c1)-c1ccc(O)cc1 Show InChI InChI=1S/C20H18O3/c1-22-19-11-17(12-20(13-19)23-2)16-5-3-4-15(10-16)14-6-8-18(21)9-7-14/h3-13,21H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Antiproliferative activity against human K562 cell line expressing Bcr-Abl				J Med Chem 49: 3012-8 (2006) Article DOI: 10.1021/jm060253o BindingDB Entry DOI: 10.7270/Q2R49RKZ
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50186758 (6-(3,5-dimethoxy-phenyl)-naphthalen-2-ol | CHEMBL3...) Show SMILES COc1cc(OC)cc(c1)-c1ccc2cc(O)ccc2c1 Show InChI InChI=1S/C18H16O3/c1-20-17-9-15(10-18(11-17)21-2)13-3-4-14-8-16(19)6-5-12(14)7-13/h3-11,19H,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Antiproliferative activity against MDR human HL60R cell line				J Med Chem 49: 3012-8 (2006) Article DOI: 10.1021/jm060253o BindingDB Entry DOI: 10.7270/Q2R49RKZ
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50186763 (4,3'',5''-trimethoxy-[1,1';2',1'']-terphenyl | CHE...) Show SMILES COc1ccc(cc1)-c1ccccc1-c1cc(OC)cc(OC)c1 Show InChI InChI=1S/C21H20O3/c1-22-17-10-8-15(9-11-17)20-6-4-5-7-21(20)16-12-18(23-2)14-19(13-16)24-3/h4-14H,1-3H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Antiproliferative activity against MDR human HL60R cell line				J Med Chem 49: 3012-8 (2006) Article DOI: 10.1021/jm060253o BindingDB Entry DOI: 10.7270/Q2R49RKZ
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50186751 (4-chloro-2-[(E)-2-(3,5-dimethoxy-phenyl)-vinyl]-ph...) Show SMILES COc1cc(OC)cc(\C=C\c2cc(Cl)ccc2O)c1 Show InChI InChI=1S/C16H15ClO3/c1-19-14-7-11(8-15(10-14)20-2)3-4-12-9-13(17)5-6-16(12)18/h3-10,18H,1-2H3/b4-3+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Antiproliferative activity against human K562 cell line expressing Bcr-Abl				J Med Chem 49: 3012-8 (2006) Article DOI: 10.1021/jm060253o BindingDB Entry DOI: 10.7270/Q2R49RKZ
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50186756 (5-[(E)-2-(3,5-dimethoxy-phenyl)-vinyl]-2-ethoxy-ph...) Show SMILES CCOc1cc(\C=C\c2cc(OC)cc(OC)c2)ccc1O Show InChI InChI=1S/C18H20O4/c1-4-22-18-11-13(7-8-17(18)19)5-6-14-9-15(20-2)12-16(10-14)21-3/h5-12,19H,4H2,1-3H3/b6-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Antiproliferative activity against human K562 cell line expressing Bcr-Abl				J Med Chem 49: 3012-8 (2006) Article DOI: 10.1021/jm060253o BindingDB Entry DOI: 10.7270/Q2R49RKZ
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50186750 (3'',5''-dimethoxy-[1,1';3',1'']-terphenyl-4-ol | C...) Show SMILES COc1cc(OC)cc(c1)-c1cccc(c1)-c1ccc(O)cc1 Show InChI InChI=1S/C20H18O3/c1-22-19-11-17(12-20(13-19)23-2)16-5-3-4-15(10-16)14-6-8-18(21)9-7-14/h3-13,21H,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Antiproliferative activity against MDR human HL60R cell line				J Med Chem 49: 3012-8 (2006) Article DOI: 10.1021/jm060253o BindingDB Entry DOI: 10.7270/Q2R49RKZ
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50186749 (CHEMBL207941 | [1,1';3',1'']-terphenyl-4,3'',5''-t...) Show SMILES Oc1ccc(cc1)-c1cccc(c1)-c1cc(O)cc(O)c1 Show InChI InChI=1S/C18H14O3/c19-16-6-4-12(5-7-16)13-2-1-3-14(8-13)15-9-17(20)11-18(21)10-15/h1-11,19-21H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Antiproliferative activity against human K562 cell line expressing Bcr-Abl				J Med Chem 49: 3012-8 (2006) Article DOI: 10.1021/jm060253o BindingDB Entry DOI: 10.7270/Q2R49RKZ
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50186767 (5-(6-Hydroxy-naphthalen-2-yl)-benzene-1,3-diol | 5...) Show SMILES Oc1cc(O)cc(c1)-c1ccc2cc(O)ccc2c1 Show InChI InChI=1S/C16H12O3/c17-14-4-3-10-5-11(1-2-12(10)6-14)13-7-15(18)9-16(19)8-13/h1-9,17-19H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Antiproliferative activity against human K562 cell line expressing Bcr-Abl				J Med Chem 49: 3012-8 (2006) Article DOI: 10.1021/jm060253o BindingDB Entry DOI: 10.7270/Q2R49RKZ
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50186762 (CHEMBL427392 | [1,1':4',1'']Terphenyl-4,3'',5''-tr...) Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1cc(O)cc(O)c1 Show InChI InChI=1S/C18H14O3/c19-16-7-5-13(6-8-16)12-1-3-14(4-2-12)15-9-17(20)11-18(21)10-15/h1-11,19-21H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Antiproliferative activity against human K562 cell line expressing Bcr-Abl				J Med Chem 49: 3012-8 (2006) Article DOI: 10.1021/jm060253o BindingDB Entry DOI: 10.7270/Q2R49RKZ
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50186760 (4-[(E)-2-(3,5-dimethoxy-phenyl)-vinyl]-2,6-dimetho...) Show SMILES COc1cc(OC)cc(\C=C\c2cc(OC)c(O)c(OC)c2)c1 Show InChI InChI=1S/C18H20O5/c1-20-14-7-12(8-15(11-14)21-2)5-6-13-9-16(22-3)18(19)17(10-13)23-4/h5-11,19H,1-4H3/b6-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Antiproliferative activity against human K562 cell line expressing Bcr-Abl				J Med Chem 49: 3012-8 (2006) Article DOI: 10.1021/jm060253o BindingDB Entry DOI: 10.7270/Q2R49RKZ
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50186765 (3'',5''-dimethoxy-[1,1';4,1'']-terphenyl-4-ol | CH...) Show SMILES COc1cc(OC)cc(c1)-c1ccc(cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C20H18O3/c1-22-19-11-17(12-20(13-19)23-2)16-5-3-14(4-6-16)15-7-9-18(21)10-8-15/h3-13,21H,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Antiproliferative activity against MDR human HL60R cell line				J Med Chem 49: 3012-8 (2006) Article DOI: 10.1021/jm060253o BindingDB Entry DOI: 10.7270/Q2R49RKZ
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50186762 (CHEMBL427392 | [1,1':4',1'']Terphenyl-4,3'',5''-tr...) Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1cc(O)cc(O)c1 Show InChI InChI=1S/C18H14O3/c19-16-7-5-13(6-8-16)12-1-3-14(4-2-12)15-9-17(20)11-18(21)10-15/h1-11,19-21H	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Antiproliferative activity against MDR human HL60R cell line				J Med Chem 49: 3012-8 (2006) Article DOI: 10.1021/jm060253o BindingDB Entry DOI: 10.7270/Q2R49RKZ
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50186766 (2-[(E)-2-(3,5-dimethoxy-phenyl)-vinyl]-phenol | CH...) Show SMILES COc1cc(OC)cc(\C=C\c2ccccc2O)c1 Show InChI InChI=1S/C16H16O3/c1-18-14-9-12(10-15(11-14)19-2)7-8-13-5-3-4-6-16(13)17/h3-11,17H,1-2H3/b8-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Antiproliferative activity against human K562 cell line expressing Bcr-Abl				J Med Chem 49: 3012-8 (2006) Article DOI: 10.1021/jm060253o BindingDB Entry DOI: 10.7270/Q2R49RKZ
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50186759 (3-[(E)-2-(3,5-Dimethoxy-phenyl)-vinyl]-phenol | CH...) Show SMILES COc1cc(OC)cc(\C=C\c2cccc(O)c2)c1 Show InChI InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)7-6-12-4-3-5-14(17)8-12/h3-11,17H,1-2H3/b7-6+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Antiproliferative activity against human K562 cell line expressing Bcr-Abl				J Med Chem 49: 3012-8 (2006) Article DOI: 10.1021/jm060253o BindingDB Entry DOI: 10.7270/Q2R49RKZ
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM23926 ((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...) Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1 Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Antiproliferative activity against human K562 cell line expressing Bcr-Abl				J Med Chem 49: 3012-8 (2006) Article DOI: 10.1021/jm060253o BindingDB Entry DOI: 10.7270/Q2R49RKZ
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50186755 (3'',5''-dimethoxy-[1,1';2',1'']-terphenyl-4-ol | C...) Show SMILES COc1cc(OC)cc(c1)-c1ccccc1-c1ccc(O)cc1 Show InChI InChI=1S/C20H18O3/c1-22-17-11-15(12-18(13-17)23-2)20-6-4-3-5-19(20)14-7-9-16(21)10-8-14/h3-13,21H,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Antiproliferative activity against MDR human HL60R cell line				J Med Chem 49: 3012-8 (2006) Article DOI: 10.1021/jm060253o BindingDB Entry DOI: 10.7270/Q2R49RKZ
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50186764 (2-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-6-methoxyphen...) Show SMILES COc1cc(OC)cc(\C=C\c2cccc(OC)c2O)c1 Show InChI InChI=1S/C17H18O4/c1-19-14-9-12(10-15(11-14)20-2)7-8-13-5-4-6-16(21-3)17(13)18/h4-11,18H,1-3H3/b8-7+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Antiproliferative activity against MDR human HL60R cell line				J Med Chem 49: 3012-8 (2006) Article DOI: 10.1021/jm060253o BindingDB Entry DOI: 10.7270/Q2R49RKZ
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50186765 (3'',5''-dimethoxy-[1,1';4,1'']-terphenyl-4-ol | CH...) Show SMILES COc1cc(OC)cc(c1)-c1ccc(cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C20H18O3/c1-22-19-11-17(12-20(13-19)23-2)16-5-3-14(4-6-16)15-7-9-18(21)10-8-15/h3-13,21H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Antiproliferative activity against human K562 cell line expressing Bcr-Abl				J Med Chem 49: 3012-8 (2006) Article DOI: 10.1021/jm060253o BindingDB Entry DOI: 10.7270/Q2R49RKZ
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50186756 (5-[(E)-2-(3,5-dimethoxy-phenyl)-vinyl]-2-ethoxy-ph...) Show SMILES CCOc1cc(\C=C\c2cc(OC)cc(OC)c2)ccc1O Show InChI InChI=1S/C18H20O4/c1-4-22-18-11-13(7-8-17(18)19)5-6-14-9-15(20-2)12-16(10-14)21-3/h5-12,19H,4H2,1-3H3/b6-5+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Antiproliferative activity against MDR human HL60R cell line				J Med Chem 49: 3012-8 (2006) Article DOI: 10.1021/jm060253o BindingDB Entry DOI: 10.7270/Q2R49RKZ
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50186758 (6-(3,5-dimethoxy-phenyl)-naphthalen-2-ol | CHEMBL3...) Show SMILES COc1cc(OC)cc(c1)-c1ccc2cc(O)ccc2c1 Show InChI InChI=1S/C18H16O3/c1-20-17-9-15(10-18(11-17)21-2)13-3-4-14-8-16(19)6-5-12(14)7-13/h3-11,19H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Antiproliferative activity against human K562 cell line expressing Bcr-Abl				J Med Chem 49: 3012-8 (2006) Article DOI: 10.1021/jm060253o BindingDB Entry DOI: 10.7270/Q2R49RKZ
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50131688 ((E)-4-(3,5-dimethoxystyryl)phenol | 3,5-Dimethoxy-...) Show SMILES COc1cc(OC)cc(\C=C\c2ccc(O)cc2)c1 Show InChI InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Antiproliferative activity against MDR human HL60R cell line				J Med Chem 49: 3012-8 (2006) Article DOI: 10.1021/jm060253o BindingDB Entry DOI: 10.7270/Q2R49RKZ
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50186767 (5-(6-Hydroxy-naphthalen-2-yl)-benzene-1,3-diol | 5...) Show SMILES Oc1cc(O)cc(c1)-c1ccc2cc(O)ccc2c1 Show InChI InChI=1S/C16H12O3/c17-14-4-3-10-5-11(1-2-12(10)6-14)13-7-15(18)9-16(19)8-13/h1-9,17-19H	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Antiproliferative activity against MDR human HL60R cell line				J Med Chem 49: 3012-8 (2006) Article DOI: 10.1021/jm060253o BindingDB Entry DOI: 10.7270/Q2R49RKZ
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50186749 (CHEMBL207941 | [1,1';3',1'']-terphenyl-4,3'',5''-t...) Show SMILES Oc1ccc(cc1)-c1cccc(c1)-c1cc(O)cc(O)c1 Show InChI InChI=1S/C18H14O3/c19-16-6-4-12(5-7-16)13-2-1-3-14(8-13)15-9-17(20)11-18(21)10-15/h1-11,19-21H	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Antiproliferative activity against MDR human HL60R cell line				J Med Chem 49: 3012-8 (2006) Article DOI: 10.1021/jm060253o BindingDB Entry DOI: 10.7270/Q2R49RKZ
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM23926 ((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...) Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1 Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Antiproliferative activity against MDR human HL60R cell line				J Med Chem 49: 3012-8 (2006) Article DOI: 10.1021/jm060253o BindingDB Entry DOI: 10.7270/Q2R49RKZ
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50186766 (2-[(E)-2-(3,5-dimethoxy-phenyl)-vinyl]-phenol | CH...) Show SMILES COc1cc(OC)cc(\C=C\c2ccccc2O)c1 Show InChI InChI=1S/C16H16O3/c1-18-14-9-12(10-15(11-14)19-2)7-8-13-5-3-4-6-16(13)17/h3-11,17H,1-2H3/b8-7+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Antiproliferative activity against MDR human HL60R cell line				J Med Chem 49: 3012-8 (2006) Article DOI: 10.1021/jm060253o BindingDB Entry DOI: 10.7270/Q2R49RKZ
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50186751 (4-chloro-2-[(E)-2-(3,5-dimethoxy-phenyl)-vinyl]-ph...) Show SMILES COc1cc(OC)cc(\C=C\c2cc(Cl)ccc2O)c1 Show InChI InChI=1S/C16H15ClO3/c1-19-14-7-11(8-15(10-14)20-2)3-4-12-9-13(17)5-6-16(12)18/h3-10,18H,1-2H3/b4-3+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Antiproliferative activity against MDR human HL60R cell line				J Med Chem 49: 3012-8 (2006) Article DOI: 10.1021/jm060253o BindingDB Entry DOI: 10.7270/Q2R49RKZ
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50186761 (4,3'',5''-trimethoxy-[1,1';3',1'']-terphenyl | CHE...) Show SMILES COc1ccc(cc1)-c1cccc(c1)-c1cc(OC)cc(OC)c1 Show InChI InChI=1S/C21H20O3/c1-22-19-9-7-15(8-10-19)16-5-4-6-17(11-16)18-12-20(23-2)14-21(13-18)24-3/h4-14H,1-3H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Antiproliferative activity against MDR human HL60R cell line				J Med Chem 49: 3012-8 (2006) Article DOI: 10.1021/jm060253o BindingDB Entry DOI: 10.7270/Q2R49RKZ
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50186752 (4,3'',5''-trimethoxy-[1,1';4',1'']-terphenyl | CHE...) Show SMILES COc1ccc(cc1)-c1ccc(cc1)-c1cc(OC)cc(OC)c1 Show InChI InChI=1S/C21H20O3/c1-22-19-10-8-16(9-11-19)15-4-6-17(7-5-15)18-12-20(23-2)14-21(13-18)24-3/h4-14H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Antiproliferative activity against human K562 cell line expressing Bcr-Abl				J Med Chem 49: 3012-8 (2006) Article DOI: 10.1021/jm060253o BindingDB Entry DOI: 10.7270/Q2R49RKZ
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50186752 (4,3'',5''-trimethoxy-[1,1';4',1'']-terphenyl | CHE...) Show SMILES COc1ccc(cc1)-c1ccc(cc1)-c1cc(OC)cc(OC)c1 Show InChI InChI=1S/C21H20O3/c1-22-19-10-8-16(9-11-19)15-4-6-17(7-5-15)18-12-20(23-2)14-21(13-18)24-3/h4-14H,1-3H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Antiproliferative activity against MDR human HL60R cell line				J Med Chem 49: 3012-8 (2006) Article DOI: 10.1021/jm060253o BindingDB Entry DOI: 10.7270/Q2R49RKZ
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50186753 (2-(3,5-Dimethoxy-phenyl)-6-methoxy-naphthalene | C...) Show SMILES COc1ccc2cc(ccc2c1)-c1cc(OC)cc(OC)c1 Show InChI InChI=1S/C19H18O3/c1-20-17-7-6-13-8-14(4-5-15(13)9-17)16-10-18(21-2)12-19(11-16)22-3/h4-12H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Antiproliferative activity against human K562 cell line expressing Bcr-Abl				J Med Chem 49: 3012-8 (2006) Article DOI: 10.1021/jm060253o BindingDB Entry DOI: 10.7270/Q2R49RKZ
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50186760 (4-[(E)-2-(3,5-dimethoxy-phenyl)-vinyl]-2,6-dimetho...) Show SMILES COc1cc(OC)cc(\C=C\c2cc(OC)c(O)c(OC)c2)c1 Show InChI InChI=1S/C18H20O5/c1-20-14-7-12(8-15(11-14)21-2)5-6-13-9-16(22-3)18(19)17(10-13)23-4/h5-11,19H,1-4H3/b6-5+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Antiproliferative activity against MDR human HL60R cell line				J Med Chem 49: 3012-8 (2006) Article DOI: 10.1021/jm060253o BindingDB Entry DOI: 10.7270/Q2R49RKZ
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50186754 (2,6-di-tert-butyl-4-[(E)-2-(3,5-dimethoxy-phenyl)-...) Show SMILES COc1cc(OC)cc(\C=C\c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)c1 Show InChI InChI=1S/C24H32O3/c1-23(2,3)20-13-17(14-21(22(20)25)24(4,5)6)10-9-16-11-18(26-7)15-19(12-16)27-8/h9-15,25H,1-8H3/b10-9+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Antiproliferative activity against MDR human HL60R cell line				J Med Chem 49: 3012-8 (2006) Article DOI: 10.1021/jm060253o BindingDB Entry DOI: 10.7270/Q2R49RKZ
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50186754 (2,6-di-tert-butyl-4-[(E)-2-(3,5-dimethoxy-phenyl)-...) Show SMILES COc1cc(OC)cc(\C=C\c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)c1 Show InChI InChI=1S/C24H32O3/c1-23(2,3)20-13-17(14-21(22(20)25)24(4,5)6)10-9-16-11-18(26-7)15-19(12-16)27-8/h9-15,25H,1-8H3/b10-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Antiproliferative activity against human K562 cell line expressing Bcr-Abl				J Med Chem 49: 3012-8 (2006) Article DOI: 10.1021/jm060253o BindingDB Entry DOI: 10.7270/Q2R49RKZ
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50186759 (3-[(E)-2-(3,5-Dimethoxy-phenyl)-vinyl]-phenol | CH...) Show SMILES COc1cc(OC)cc(\C=C\c2cccc(O)c2)c1 Show InChI InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)7-6-12-4-3-5-14(17)8-12/h3-11,17H,1-2H3/b7-6+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Antiproliferative activity against MDR human HL60R cell line				J Med Chem 49: 3012-8 (2006) Article DOI: 10.1021/jm060253o BindingDB Entry DOI: 10.7270/Q2R49RKZ
					More data for this Ligand-Target Pair

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