Compile Data Set for Download or QSAR

Found 47 hits with Last Name = 'su' and Initial = 'bn'   

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))	BDBM50057527 (4-(5-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(F)(F)F Show InChI InChI=1S/C16H11ClF3N3O2S/c17-11-3-1-10(2-4-11)14-9-15(16(18,19)20)22-23(14)12-5-7-13(8-6-12)26(21,24)25/h1-9H,(H2,21,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of COX2				J Nat Prod 65: 163-9 (2002) BindingDB Entry DOI: 10.7270/Q2J38TGV
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50269597 (3-(2,3-dihydroxy-3-methylbutyl)resveratrol | CHEMB...) Show SMILES CC(C)(O)[C@H](O)Cc1cc(\C=C\c2cc(O)cc(O)c2)ccc1O |r| Show InChI InChI=1S/C19H22O5/c1-19(2,24)18(23)10-14-7-12(5-6-17(14)22)3-4-13-8-15(20)11-16(21)9-13/h3-9,11,18,20-24H,10H2,1-2H3/b4-3+/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of COX1				J Nat Prod 65: 163-9 (2002) BindingDB Entry DOI: 10.7270/Q2J38TGV
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50250915 (CHEMBL512578 | moracin M) Show SMILES Oc1ccc2cc(oc2c1)-c1cc(O)cc(O)c1 Show InChI InChI=1S/C14H10O4/c15-10-2-1-8-5-13(18-14(8)7-10)9-3-11(16)6-12(17)4-9/h1-7,15-17H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of COX1				J Nat Prod 65: 163-9 (2002) BindingDB Entry DOI: 10.7270/Q2J38TGV
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50269596 (3-(gamma,gamma-dimethylallyl)resveratrol | CHEMBL4...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(\[#6]=[#6]\c2cc(-[#8])cc(-[#8])c2)ccc1-[#8] Show InChI InChI=1S/C19H20O3/c1-13(2)3-7-16-9-14(6-8-19(16)22)4-5-15-10-17(20)12-18(21)11-15/h3-6,8-12,20-22H,7H2,1-2H3/b5-4+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of COX1				J Nat Prod 65: 163-9 (2002) BindingDB Entry DOI: 10.7270/Q2J38TGV
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (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 antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of COX1				J Nat Prod 65: 163-9 (2002) BindingDB Entry DOI: 10.7270/Q2J38TGV
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (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 GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of COX2				J Nat Prod 65: 163-9 (2002) BindingDB Entry DOI: 10.7270/Q2J38TGV
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50108046 ((oxyresveratrol)4-[(E)-2-(3,5-dihydroxyphenyl)viny...) Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)c(O)c1 Show InChI InChI=1S/C14H12O4/c15-11-4-3-10(14(18)8-11)2-1-9-5-12(16)7-13(17)6-9/h1-8,15-18H/b2-1+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of COX1				J Nat Prod 65: 163-9 (2002) BindingDB Entry DOI: 10.7270/Q2J38TGV
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50269599 (5-(gamma,gamma-dimethylallyl)-oxyresveratrol | CHE...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(\[#6]=[#6]\c2cc(-[#8])cc(-[#8])c2)c(-[#8])cc1-[#8] Show InChI InChI=1S/C19H20O4/c1-12(2)3-5-14-9-15(19(23)11-18(14)22)6-4-13-7-16(20)10-17(21)8-13/h3-4,6-11,20-23H,5H2,1-2H3/b6-4+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of COX1				J Nat Prod 65: 163-9 (2002) BindingDB Entry DOI: 10.7270/Q2J38TGV
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50269598 (3-(gamma,gamma-dimethylpropenyl)moracinM | CHEMBL4...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc2cc(oc12)-c1cc(-[#8])cc(-[#8])c1 Show InChI InChI=1S/C19H18O4/c1-11(2)3-5-16-17(22)6-4-12-9-18(23-19(12)16)13-7-14(20)10-15(21)8-13/h3-4,6-10,20-22H,5H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of COX1				J Nat Prod 65: 163-9 (2002) BindingDB Entry DOI: 10.7270/Q2J38TGV
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50269605 (CHEMBL465194 | steppogenin) Show SMILES Oc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)c(O)c1 Show InChI InChI=1S/C15H12O6/c16-7-1-2-9(10(18)3-7)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-5,13,16-19H,6H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of COX1				J Nat Prod 65: 163-9 (2002) BindingDB Entry DOI: 10.7270/Q2J38TGV
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50240892 ((-)-epiafzelechin | (2R,3R)-2-(4-Hydroxy-phenyl)-c...) Show SMILES O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)cc1 |r| Show InChI InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-6,13,15-19H,7H2/t13-,15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of COX1				J Nat Prod 65: 163-9 (2002) BindingDB Entry DOI: 10.7270/Q2J38TGV
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50269600 (CHEMBL517149 | afzelechin-3-O-alpha-Lrhamnopyranos...) Show SMILES C[C@@H]1O[C@@H](O[C@H]2Cc3c(O)cc(O)cc3O[C@@H]2c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C21H24O9/c1-9-17(25)18(26)19(27)21(28-9)30-16-8-13-14(24)6-12(23)7-15(13)29-20(16)10-2-4-11(22)5-3-10/h2-7,9,16-27H,8H2,1H3/t9-,16-,17-,18+,19+,20+,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of COX1				J Nat Prod 65: 163-9 (2002) BindingDB Entry DOI: 10.7270/Q2J38TGV
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50269596 (3-(gamma,gamma-dimethylallyl)resveratrol | CHEMBL4...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(\[#6]=[#6]\c2cc(-[#8])cc(-[#8])c2)ccc1-[#8] Show InChI InChI=1S/C19H20O3/c1-13(2)3-7-16-9-14(6-8-19(16)22)4-5-15-10-17(20)12-18(21)11-15/h3-6,8-12,20-22H,7H2,1-2H3/b5-4+	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	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of COX2				J Nat Prod 65: 163-9 (2002) BindingDB Entry DOI: 10.7270/Q2J38TGV
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50269606 (CHEMBL517334 | isogemichalcone B) Show SMILES C\C(COC(=O)\C=C\c1ccc(O)cc1)=C/Cc1c(O)ccc(C(=O)\C=C\c2ccc(O)cc2)c1O Show InChI InChI=1S/C29H26O7/c1-19(18-36-28(34)17-8-21-5-11-23(31)12-6-21)2-13-24-27(33)16-14-25(29(24)35)26(32)15-7-20-3-9-22(30)10-4-20/h2-12,14-17,30-31,33,35H,13,18H2,1H3/b15-7+,17-8+,19-2+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of COX1				J Nat Prod 65: 163-9 (2002) BindingDB Entry DOI: 10.7270/Q2J38TGV
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50269597 (3-(2,3-dihydroxy-3-methylbutyl)resveratrol | CHEMB...) Show SMILES CC(C)(O)[C@H](O)Cc1cc(\C=C\c2cc(O)cc(O)c2)ccc1O |r| Show InChI InChI=1S/C19H22O5/c1-19(2,24)18(23)10-14-7-12(5-6-17(14)22)3-4-13-8-15(20)11-16(21)9-13/h3-9,11,18,20-24H,10H2,1-2H3/b4-3+/t18-/m1/s1	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	1.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of COX2				J Nat Prod 65: 163-9 (2002) BindingDB Entry DOI: 10.7270/Q2J38TGV
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50269277 (CHEMBL497716 | gemichalcone B | gemichalcones B) Show SMILES C\C(COC(=O)\C=C\c1ccc(O)cc1)=C\Cc1c(O)ccc(C(=O)\C=C\c2ccc(O)cc2)c1O Show InChI InChI=1S/C29H26O7/c1-19(18-36-28(34)17-8-21-5-11-23(31)12-6-21)2-13-24-27(33)16-14-25(29(24)35)26(32)15-7-20-3-9-22(30)10-4-20/h2-12,14-17,30-31,33,35H,13,18H2,1H3/b15-7+,17-8+,19-2-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of COX1				J Nat Prod 65: 163-9 (2002) BindingDB Entry DOI: 10.7270/Q2J38TGV
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50269559 (2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) Show SMILES Oc1ccc(c(O)c1)-c1cc(=O)c2c(O)cc(O)cc2o1 Show InChI InChI=1S/C15H10O6/c16-7-1-2-9(10(18)3-7)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-6,16-19H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of COX1				J Nat Prod 65: 163-9 (2002) BindingDB Entry DOI: 10.7270/Q2J38TGV
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50269606 (CHEMBL517334 | isogemichalcone B) Show SMILES C\C(COC(=O)\C=C\c1ccc(O)cc1)=C/Cc1c(O)ccc(C(=O)\C=C\c2ccc(O)cc2)c1O Show InChI InChI=1S/C29H26O7/c1-19(18-36-28(34)17-8-21-5-11-23(31)12-6-21)2-13-24-27(33)16-14-25(29(24)35)26(32)15-7-20-3-9-22(30)10-4-20/h2-12,14-17,30-31,33,35H,13,18H2,1H3/b15-7+,17-8+,19-2+	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	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of COX2				J Nat Prod 65: 163-9 (2002) BindingDB Entry DOI: 10.7270/Q2J38TGV
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50269600 (CHEMBL517149 | afzelechin-3-O-alpha-Lrhamnopyranos...) Show SMILES C[C@@H]1O[C@@H](O[C@H]2Cc3c(O)cc(O)cc3O[C@@H]2c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C21H24O9/c1-9-17(25)18(26)19(27)21(28-9)30-16-8-13-14(24)6-12(23)7-15(13)29-20(16)10-2-4-11(22)5-3-10/h2-7,9,16-27H,8H2,1H3/t9-,16-,17-,18+,19+,20+,21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	1.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of COX2				J Nat Prod 65: 163-9 (2002) BindingDB Entry DOI: 10.7270/Q2J38TGV
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50250915 (CHEMBL512578 | moracin M) Show SMILES Oc1ccc2cc(oc2c1)-c1cc(O)cc(O)c1 Show InChI InChI=1S/C14H10O4/c15-10-2-1-8-5-13(18-14(8)7-10)9-3-11(16)6-12(17)4-9/h1-7,15-17H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of COX2				J Nat Prod 65: 163-9 (2002) BindingDB Entry DOI: 10.7270/Q2J38TGV
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50057527 (4-(5-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(F)(F)F Show InChI InChI=1S/C16H11ClF3N3O2S/c17-11-3-1-10(2-4-11)14-9-15(16(18,19)20)22-23(14)12-5-7-13(8-6-12)26(21,24)25/h1-9H,(H2,21,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of COX1				J Nat Prod 65: 163-9 (2002) BindingDB Entry DOI: 10.7270/Q2J38TGV
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50269598 (3-(gamma,gamma-dimethylpropenyl)moracinM | CHEMBL4...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc2cc(oc12)-c1cc(-[#8])cc(-[#8])c1 Show InChI InChI=1S/C19H18O4/c1-11(2)3-5-16-17(22)6-4-12-9-18(23-19(12)16)13-7-14(20)10-15(21)8-13/h3-4,6-10,20-22H,5H2,1-2H3	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	3.18E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of COX2				J Nat Prod 65: 163-9 (2002) BindingDB Entry DOI: 10.7270/Q2J38TGV
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50269599 (5-(gamma,gamma-dimethylallyl)-oxyresveratrol | CHE...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(\[#6]=[#6]\c2cc(-[#8])cc(-[#8])c2)c(-[#8])cc1-[#8] Show InChI InChI=1S/C19H20O4/c1-12(2)3-5-14-9-15(19(23)11-18(14)22)6-4-13-7-16(20)10-17(21)8-13/h3-4,6-11,20-23H,5H2,1-2H3/b6-4+	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	3.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of COX2				J Nat Prod 65: 163-9 (2002) BindingDB Entry DOI: 10.7270/Q2J38TGV
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50269277 (CHEMBL497716 | gemichalcone B | gemichalcones B) Show SMILES C\C(COC(=O)\C=C\c1ccc(O)cc1)=C\Cc1c(O)ccc(C(=O)\C=C\c2ccc(O)cc2)c1O Show InChI InChI=1S/C29H26O7/c1-19(18-36-28(34)17-8-21-5-11-23(31)12-6-21)2-13-24-27(33)16-14-25(29(24)35)26(32)15-7-20-3-9-22(30)10-4-20/h2-12,14-17,30-31,33,35H,13,18H2,1H3/b15-7+,17-8+,19-2-	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	3.84E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of COX2				J Nat Prod 65: 163-9 (2002) BindingDB Entry DOI: 10.7270/Q2J38TGV
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50269605 (CHEMBL465194 | steppogenin) Show SMILES Oc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)c(O)c1 Show InChI InChI=1S/C15H12O6/c16-7-1-2-9(10(18)3-7)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-5,13,16-19H,6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.64E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of COX2				J Nat Prod 65: 163-9 (2002) BindingDB Entry DOI: 10.7270/Q2J38TGV
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50250912 ((2R,3R)-5,7,2',4'-tetrahydroxyflavanonol | CHEMBL4...) Show SMILES OC1C(=O)[C@H](Oc2cc(O)cc(O)c12)c1ccc(O)cc1O |r| Show InChI InChI=1S/C15H12O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,13,15-20H/t13?,15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of COX1				J Nat Prod 65: 163-9 (2002) BindingDB Entry DOI: 10.7270/Q2J38TGV
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50240892 ((-)-epiafzelechin | (2R,3R)-2-(4-Hydroxy-phenyl)-c...) Show SMILES O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)cc1 |r| Show InChI InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-6,13,15-19H,7H2/t13-,15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of COX2				J Nat Prod 65: 163-9 (2002) BindingDB Entry DOI: 10.7270/Q2J38TGV
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50269604 (CHEMBL447023 | epiafzelechin-(4beta->8)-epicatechi...) Show SMILES O[C@@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)cc1 |r| Show InChI InChI=1S/C30H26O11/c31-14-4-1-12(2-5-14)28-22(38)10-16-18(34)11-21(37)25(30(16)41-28)26-24-20(36)8-15(32)9-23(24)40-29(27(26)39)13-3-6-17(33)19(35)7-13/h1-9,11,22,26-29,31-39H,10H2/t22-,26-,27-,28-,29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of COX1				J Nat Prod 65: 163-9 (2002) BindingDB Entry DOI: 10.7270/Q2J38TGV
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50269559 (2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) Show SMILES Oc1ccc(c(O)c1)-c1cc(=O)c2c(O)cc(O)cc2o1 Show InChI InChI=1S/C15H10O6/c16-7-1-2-9(10(18)3-7)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-6,16-19H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of COX2				J Nat Prod 65: 163-9 (2002) BindingDB Entry DOI: 10.7270/Q2J38TGV
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50250912 ((2R,3R)-5,7,2',4'-tetrahydroxyflavanonol | CHEMBL4...) Show SMILES OC1C(=O)[C@H](Oc2cc(O)cc(O)c12)c1ccc(O)cc1O |r| Show InChI InChI=1S/C15H12O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,13,15-20H/t13?,15-/m1/s1	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of COX2				J Nat Prod 65: 163-9 (2002) BindingDB Entry DOI: 10.7270/Q2J38TGV
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50269604 (CHEMBL447023 | epiafzelechin-(4beta->8)-epicatechi...) Show SMILES O[C@@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)cc1 |r| Show InChI InChI=1S/C30H26O11/c31-14-4-1-12(2-5-14)28-22(38)10-16-18(34)11-21(37)25(30(16)41-28)26-24-20(36)8-15(32)9-23(24)40-29(27(26)39)13-3-6-17(33)19(35)7-13/h1-9,11,22,26-29,31-39H,10H2/t22-,26-,27-,28-,29-/m1/s1	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of COX2				J Nat Prod 65: 163-9 (2002) BindingDB Entry DOI: 10.7270/Q2J38TGV
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50108046 ((oxyresveratrol)4-[(E)-2-(3,5-dihydroxyphenyl)viny...) Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)c(O)c1 Show InChI InChI=1S/C14H12O4/c15-11-4-3-10(14(18)8-11)2-1-9-5-12(16)7-13(17)6-9/h1-8,15-18H/b2-1+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.09E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of COX2				J Nat Prod 65: 163-9 (2002) BindingDB Entry DOI: 10.7270/Q2J38TGV
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50164200 (2,3,9,10-tetrafluoro-13-(5-fluoro-3,4-dihydroxy-6-...) Show SMILES OCC1OC(C(O)C(O)C1F)n1c2cc(F)c(F)cc2c2c3C(=O)NC(=O)c3c3c4cc(F)c(F)cc4sc3c12 Show InChI InChI=1S/C26H15F5N2O6S/c27-8-1-6-12(3-10(8)29)33(26-22(36)21(35)19(31)13(5-34)39-26)20-15(6)17-18(25(38)32-24(17)37)16-7-2-9(28)11(30)4-14(7)40-23(16)20/h1-4,13,19,21-22,26,34-36H,5H2,(H,32,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	6.40	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Topoisomerase I activity for single-strand breaks in the DNA substrate				J Med Chem 48: 2258-61 (2005) Article DOI: 10.1021/jm049090z BindingDB Entry DOI: 10.7270/Q20G3JP5
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50164201 (12-(6-aminomethyl-5,5-difluoro-3,4-dihydroxytetrah...) Show SMILES NCC1OC(C(O)C(O)C1(F)F)n1c2cc(F)c(F)cc2c2c3C(=O)NC(=O)c3c3c4cc(F)c(F)cc4[nH]c3c12 Show InChI InChI=1S/C26H16F6N4O5/c27-8-1-6-12(3-10(8)29)34-19-15(6)17-18(24(40)35-23(17)39)16-7-2-9(28)11(30)4-13(7)36(20(16)19)25-21(37)22(38)26(31,32)14(5-33)41-25/h1-4,14,21-22,25,34,37-38H,5,33H2,(H,35,39,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Topoisomerase I activity for single-strand breaks in the DNA substrate				J Med Chem 48: 2258-61 (2005) Article DOI: 10.1021/jm049090z BindingDB Entry DOI: 10.7270/Q20G3JP5
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50164203 (2,10-difluoro-12-(5-fluoro-3,4-dihydroxy-6-hydroxy...) Show SMILES OCC1OC(C(O)C(O)C1F)n1c2cc(F)ccc2c2c3C(=O)NC(=O)c3c3c4ccc(F)cc4[nH]c3c12 Show InChI InChI=1S/C26H18F3N3O6/c27-8-1-3-10-12(5-8)30-20-15(10)17-18(25(37)31-24(17)36)16-11-4-2-9(28)6-13(11)32(21(16)20)26-23(35)22(34)19(29)14(7-33)38-26/h1-6,14,19,22-23,26,30,33-35H,7H2,(H,31,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	32	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Topoisomerase I activity for single-strand breaks in the DNA substrate				J Med Chem 48: 2258-61 (2005) Article DOI: 10.1021/jm049090z BindingDB Entry DOI: 10.7270/Q20G3JP5
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50164205 (2,3,9,10-tetrafluoro-12-(5-fluoro-3,4-dihydroxy-6-...) Show SMILES OCC1OC(C(O)C(O)C1F)n1c2cc(F)c(F)cc2c2c3C(=O)NC(=O)c3c3c4cc(F)c(F)cc4[nH]c3c12 Show InChI InChI=1S/C26H16F5N3O6/c27-8-1-6-12(3-10(8)29)32-20-15(6)17-18(25(39)33-24(17)38)16-7-2-9(28)11(30)4-13(7)34(21(16)20)26-23(37)22(36)19(31)14(5-35)40-26/h1-4,14,19,22-23,26,32,35-37H,5H2,(H,33,38,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Topoisomerase I activity for single-strand breaks in the DNA substrate				J Med Chem 48: 2258-61 (2005) Article DOI: 10.1021/jm049090z BindingDB Entry DOI: 10.7270/Q20G3JP5
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50164196 (3,9-difluoro-12-(5-fluoro-3,4-dihydroxy-6-hydroxym...) Show SMILES OC1C(O)C(OC(COF)C1F)n1c2ccc(F)cc2c2c3C(=O)NC(=O)c3c3c4cc(F)ccc4[nH]c3c12 Show InChI InChI=1S/C26H17F4N3O6/c27-8-1-3-12-10(5-8)15-17-18(25(37)32-24(17)36)16-11-6-9(28)2-4-13(11)33(21(16)20(15)31-12)26-23(35)22(34)19(29)14(39-26)7-38-30/h1-6,14,19,22-23,26,31,34-35H,7H2,(H,32,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	65.6	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Topoisomerase I activity for single-strand breaks in the DNA substrate				J Med Chem 48: 2258-61 (2005) Article DOI: 10.1021/jm049090z BindingDB Entry DOI: 10.7270/Q20G3JP5
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50164197 (3,9-difluoro-12-(5-fluoro-3,4-dihydroxy-6-hydroxym...) Show SMILES OCC1OC(C(O)C(O)C1F)n1c2ccc(F)cc2c2c3C(=O)NC(=O)c3c3c4cc(F)ccc4[nH]c3c12 Show InChI InChI=1S/C26H18F3N3O6/c27-8-1-3-12-10(5-8)15-17-18(25(37)31-24(17)36)16-11-6-9(28)2-4-13(11)32(21(16)20(15)30-12)26-23(35)22(34)19(29)14(7-33)38-26/h1-6,14,19,22-23,26,30,33-35H,7H2,(H,31,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	17.6	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Topoisomerase I activity for single-strand breaks in the DNA substrate				J Med Chem 48: 2258-61 (2005) Article DOI: 10.1021/jm049090z BindingDB Entry DOI: 10.7270/Q20G3JP5
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50002738 Show SMILES Cn1c(CN2CCNCC2)nc2ccc(NC(=O)COc3ccc(cc3)C(F)(F)F)cc12 Show InChI InChI=1S/C22H24F3N5O2/c1-29-19-12-16(4-7-18(19)28-20(29)13-30-10-8-26-9-11-30)27-21(31)14-32-17-5-2-15(3-6-17)22(23,24)25/h2-7,12,26H,8-11,13-14H2,1H3,(H,27,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	704	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Topoisomerase I activity for single-strand breaks in the DNA substrate				J Med Chem 48: 2258-61 (2005) Article DOI: 10.1021/jm049090z BindingDB Entry DOI: 10.7270/Q20G3JP5
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50164202 (2,3,9,10-tetrafluoro-13-(6-fluoromethyl-3,4,5-trih...) Show SMILES OC1C(O)C(CF)OC(C1O)n1c2cc(F)c(F)cc2c2c3C(=O)NC(=O)c3c3c4cc(F)c(F)cc4sc3c12 Show InChI InChI=1S/C26H15F5N2O6S/c27-5-13-20(34)21(35)22(36)26(39-13)33-12-3-10(30)8(28)1-6(12)15-17-18(25(38)32-24(17)37)16-7-2-9(29)11(31)4-14(7)40-23(16)19(15)33/h1-4,13,20-22,26,34-36H,5H2,(H,32,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	240	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Topoisomerase I activity for single-strand breaks in the DNA substrate				J Med Chem 48: 2258-61 (2005) Article DOI: 10.1021/jm049090z BindingDB Entry DOI: 10.7270/Q20G3JP5
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50164199 (3,9-difluoro-12-(5-fluoro-3,4,5-trihydroxy-6-hydro...) Show SMILES OCC1OC(C(O)C(O)C1(F)F)n1c2ccc(F)cc2c2c3C(=O)NC(=O)c3c3c4cc(F)ccc4[nH]c3c12 Show InChI InChI=1S/C26H17F4N3O6/c27-8-1-3-12-10(5-8)15-17-18(24(38)32-23(17)37)16-11-6-9(28)2-4-13(11)33(20(16)19(15)31-12)25-21(35)22(36)26(29,30)14(7-34)39-25/h1-6,14,21-22,25,31,34-36H,7H2,(H,32,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	12.8	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Topoisomerase I activity for single-strand breaks in the DNA substrate				J Med Chem 48: 2258-61 (2005) Article DOI: 10.1021/jm049090z BindingDB Entry DOI: 10.7270/Q20G3JP5
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50164198 (3,9-difluoro-12-(6-fluoromethyl-3,4,5-trihydroxyte...) Show SMILES OC1C(O)C(CF)OC(C1O)n1c2ccc(F)cc2c2c3C(=O)NC(=O)c3c3c4cc(F)ccc4[nH]c3c12 Show InChI InChI=1S/C26H18F3N3O6/c27-7-14-21(33)22(34)23(35)26(38-14)32-13-4-2-9(29)6-11(13)16-18-17(24(36)31-25(18)37)15-10-5-8(28)1-3-12(10)30-19(15)20(16)32/h1-6,14,21-23,26,30,33-35H,7H2,(H,31,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	76.8	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Topoisomerase I activity for single-strand breaks in the DNA substrate				J Med Chem 48: 2258-61 (2005) Article DOI: 10.1021/jm049090z BindingDB Entry DOI: 10.7270/Q20G3JP5
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50164204 (13-(5,5-difluoro-3,4-dihydroxy-6-hydroxymethyltetr...) Show SMILES OCC1OC(C(O)C(O)C1(F)F)n1c2cc(F)c(F)cc2c2c3C(=O)NC(=O)c3c3c4cc(F)c(F)cc4sc3c12 Show InChI InChI=1S/C26H14F6N2O6S/c27-8-1-6-12(3-10(8)29)34(25-20(36)22(37)26(31,32)14(5-35)40-25)19-15(6)17-18(24(39)33-23(17)38)16-7-2-9(28)11(30)4-13(7)41-21(16)19/h1-4,14,20,22,25,35-37H,5H2,(H,33,38,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	80	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Topoisomerase I activity for single-strand breaks in the DNA substrate				J Med Chem 48: 2258-61 (2005) Article DOI: 10.1021/jm049090z BindingDB Entry DOI: 10.7270/Q20G3JP5
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50164207 (2,3,9,10-tetrafluoro-12-(6-fluoromethyl-3,4,5-trih...) Show SMILES OC1C(O)C(CF)OC(C1O)n1c2cc(F)c(F)cc2c2c3C(=O)NC(=O)c3c3c4cc(F)c(F)cc4[nH]c3c12 Show InChI InChI=1S/C26H16F5N3O6/c27-5-14-21(35)22(36)23(37)26(40-14)34-13-4-11(31)9(29)2-7(13)16-18-17(24(38)33-25(18)39)15-6-1-8(28)10(30)3-12(6)32-19(15)20(16)34/h1-4,14,21-23,26,32,35-37H,5H2,(H,33,38,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	480	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Topoisomerase I activity for single-strand breaks in the DNA substrate				J Med Chem 48: 2258-61 (2005) Article DOI: 10.1021/jm049090z BindingDB Entry DOI: 10.7270/Q20G3JP5
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50164195 (12-(6-aminomethyl-5-fluoro-3,4-dihydroxytetrahydro...) Show SMILES NCC1OC(C(O)C(O)C1F)n1c2ccc(F)cc2c2c3C(=O)NC(=O)c3c3c4cc(F)ccc4[nH]c3c12 Show InChI InChI=1S/C26H19F3N4O5/c27-8-1-3-12-10(5-8)15-17-18(25(37)32-24(17)36)16-11-6-9(28)2-4-13(11)33(21(16)20(15)31-12)26-23(35)22(34)19(29)14(7-30)38-26/h1-6,14,19,22-23,26,31,34-35H,7,30H2,(H,32,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	11.2	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Topoisomerase I activity for single-strand breaks in the DNA substrate				J Med Chem 48: 2258-61 (2005) Article DOI: 10.1021/jm049090z BindingDB Entry DOI: 10.7270/Q20G3JP5
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50142927 (12-(3,4-dihydroxy-6-hydroxymethyl-5-methoxytetrahy...) Show SMILES OCC1OC(C(O)C(O)C1O)n1c2ccc(F)cc2c2c3C(=O)NC(=O)c3c3c4cc(F)ccc4[nH]c3c12 Show InChI InChI=1S/C26H19F2N3O7/c27-8-1-3-12-10(5-8)15-17-18(25(37)30-24(17)36)16-11-6-9(28)2-4-13(11)31(20(16)19(15)29-12)26-23(35)22(34)21(33)14(7-32)38-26/h1-6,14,21-23,26,29,32-35H,7H2,(H,30,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	38.4	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Topoisomerase I activity for single-strand breaks in the DNA substrate				J Med Chem 48: 2258-61 (2005) Article DOI: 10.1021/jm049090z BindingDB Entry DOI: 10.7270/Q20G3JP5
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50164206 (3,9-difluoro-13-(6-fluoromethyl-3,4,5-trihydroxyte...) Show SMILES OC1C(O)C(CF)OC(C1O)n1c2ccc(F)cc2c2c3C(=O)NC(=O)c3c3c4cc(F)ccc4sc3c12 Show InChI InChI=1S/C26H17F3N2O6S/c27-7-13-20(32)21(33)22(34)26(37-13)31-12-3-1-8(28)5-10(12)15-17-18(25(36)30-24(17)35)16-11-6-9(29)2-4-14(11)38-23(16)19(15)31/h1-6,13,20-22,26,32-34H,7H2,(H,30,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	67.2	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Topoisomerase I activity for single-strand breaks in the DNA substrate				J Med Chem 48: 2258-61 (2005) Article DOI: 10.1021/jm049090z BindingDB Entry DOI: 10.7270/Q20G3JP5
					More data for this Ligand-Target Pair