Compile Data Set for Download or QSAR

Found 34 hits with Last Name = 'bachand' and Initial = 'c'   

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
P-selectin (Homo sapiens (Human))	BDBM50061136 ((2S,3R,4E)-3-(Benzoyloxy)-2-(hexadecanoylamino)-1-...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(COS([O-])(=O)=O)C(OS([O-])(=O)=O)C(OCc2ccccc2)C1OCc1ccccc1)[C@H](OCc1ccccc1)\C=C\CCCCCCCCCCCCC Show InChI InChI=1S/C61H95NO14S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-36-44-55(70-46-51-38-30-27-31-39-51)54(62-57(63)45-37-26-24-22-20-18-16-14-12-10-8-6-4-2)49-73-61-60(72-48-53-42-34-29-35-43-53)59(71-47-52-40-32-28-33-41-52)58(76-78(67,68)69)56(75-61)50-74-77(64,65)66/h27-36,38-44,54-56,58-61H,3-26,37,45-50H2,1-2H3,(H,62,63)(H,64,65,66)(H,67,68,69)/p-2/b44-36+/t54-,55+,56?,58?,59?,60?,61?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Selectin P in a cell-free binding assay				J Med Chem 40: 3234-47 (1997) Article DOI: 10.1021/jm9606960 BindingDB Entry DOI: 10.7270/Q21Z454Z
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50061130 ((2S,3R,4E)-3-(Benzoyloxy)-2-(hexadecanoylamino)-1-...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC2COC(OC2C(OS([O-])(=O)=O)C1OS([O-])(=O)=O)c1ccccc1)[C@H](OCc1ccccc1)\C=C\CCCCCCCCCCCCC Show InChI InChI=1S/C54H87NO14S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-33-39-47(63-41-44-35-29-27-30-36-44)46(55-49(56)40-34-26-24-22-20-18-16-14-12-10-8-6-4-2)42-64-54-52(69-71(60,61)62)51(68-70(57,58)59)50-48(66-54)43-65-53(67-50)45-37-31-28-32-38-45/h27-33,35-39,46-48,50-54H,3-26,34,40-43H2,1-2H3,(H,55,56)(H,57,58,59)(H,60,61,62)/p-2/b39-33+/t46-,47+,48?,50?,51?,52?,53?,54?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Selectin P in a cell-free binding assay				J Med Chem 40: 3234-47 (1997) Article DOI: 10.1021/jm9606960 BindingDB Entry DOI: 10.7270/Q21Z454Z
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50061124 ((2S,3R,4E)-3-(Benzoyloxy)-2-(hexadecanoylamino)-1-...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(CO)C(O)C(OS([O-])(=O)=O)C1OS([O-])(=O)=O)[C@H](OCc1ccccc1)\C=C\CCCCCCCCCCCCC Show InChI InChI=1S/C47H83NO14S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-34-41(58-37-39-32-28-27-29-33-39)40(48-43(50)35-31-26-24-22-20-18-16-14-12-10-8-6-4-2)38-59-47-46(62-64(55,56)57)45(61-63(52,53)54)44(51)42(36-49)60-47/h27-30,32-34,40-42,44-47,49,51H,3-26,31,35-38H2,1-2H3,(H,48,50)(H,52,53,54)(H,55,56,57)/p-2/b34-30+/t40-,41+,42?,44?,45?,46?,47?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Selectin P in a cell-free binding assay				J Med Chem 40: 3234-47 (1997) Article DOI: 10.1021/jm9606960 BindingDB Entry DOI: 10.7270/Q21Z454Z
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50369315 (CHEMBL1627019) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(CO)C(O)C(OS([O-])(=O)=O)C1OS([O-])(=O)=O)[C@H](O)\C=C\CCCCCCCCCCCCC Show InChI InChI=1S/C40H77NO14S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(43)33(41-36(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-52-40-39(55-57(49,50)51)38(54-56(46,47)48)37(45)35(31-42)53-40/h27,29,33-35,37-40,42-43,45H,3-26,28,30-32H2,1-2H3,(H,41,44)(H,46,47,48)(H,49,50,51)/p-2/b29-27+/t33-,34+,35?,37?,38?,39?,40?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Selectin P in a cell-free binding assay				J Med Chem 40: 3234-47 (1997) Article DOI: 10.1021/jm9606960 BindingDB Entry DOI: 10.7270/Q21Z454Z
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50061125 ((2S,3R,4E)-2-(hexadecanoylamino)-3-(benzoyloxy)-1-...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(COS([O-])(=O)=O)C(O)C(O)C1O)[C@H](OCc1ccccc1)\C=C\CCCCCCCCCCCCC Show InChI InChI=1S/C47H83NO11S/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-34-41(56-36-39-32-28-27-29-33-39)40(37-57-47-46(52)45(51)44(50)42(59-47)38-58-60(53,54)55)48-43(49)35-31-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-30,32-34,40-42,44-47,50-52H,3-26,31,35-38H2,1-2H3,(H,48,49)(H,53,54,55)/p-1/b34-30+/t40-,41+,42?,44?,45?,46?,47?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Selectin P in a cell-free binding assay				J Med Chem 40: 3234-47 (1997) Article DOI: 10.1021/jm9606960 BindingDB Entry DOI: 10.7270/Q21Z454Z
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50061133 ((2S,3R,4E)-2-(Hexadecanoylamino)-3-hydroxy-1-[[3-O...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(CO)C(O)C(OS([O-])(=O)=O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC Show InChI InChI=1S/C40H77NO11S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(43)33(32-50-40-38(46)39(52-53(47,48)49)37(45)35(31-42)51-40)41-36(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,33-35,37-40,42-43,45-46H,3-26,28,30-32H2,1-2H3,(H,41,44)(H,47,48,49)/p-1/b29-27+/t33-,34+,35?,37?,38?,39?,40?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Selectin P in a cell-free binding assay				J Med Chem 40: 3234-47 (1997) Article DOI: 10.1021/jm9606960 BindingDB Entry DOI: 10.7270/Q21Z454Z
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50061128 (1N-[2-hydroxy-1-(5-hydroxy-6-hydroxymethyltetrahyd...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1CC(OS([O-])(=O)=O)C(O)C(CO)O1)[C@H](O)\C=C\CCCCCCCCCCCCC Show InChI InChI=1S/C40H77NO10S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(43)34(33-49-39-31-36(51-52(46,47)48)40(45)37(32-42)50-39)41-38(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,34-37,39-40,42-43,45H,3-26,28,30-33H2,1-2H3,(H,41,44)(H,46,47,48)/p-1/b29-27+/t34-,35+,36?,37?,39?,40?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Selectin P in a cell-free binding assay				J Med Chem 40: 3234-47 (1997) Article DOI: 10.1021/jm9606960 BindingDB Entry DOI: 10.7270/Q21Z454Z
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50061122 ((2S,3R,4E)-2-(Hexadecanoylamino)-3-(benzoyloxy)-1-...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(COS([O-])(=O)=O)C(O)C(O)C1OS([O-])(=O)=O)[C@H](OCc1ccccc1)\C=C\CCCCCCCCCCCCC Show InChI InChI=1S/C47H83NO14S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-34-41(58-36-39-32-28-27-29-33-39)40(48-43(49)35-31-26-24-22-20-18-16-14-12-10-8-6-4-2)37-59-47-46(62-64(55,56)57)45(51)44(50)42(61-47)38-60-63(52,53)54/h27-30,32-34,40-42,44-47,50-51H,3-26,31,35-38H2,1-2H3,(H,48,49)(H,52,53,54)(H,55,56,57)/p-2/b34-30+/t40-,41+,42?,44?,45?,46?,47?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Selectin P in a cell-free binding assay				J Med Chem 40: 3234-47 (1997) Article DOI: 10.1021/jm9606960 BindingDB Entry DOI: 10.7270/Q21Z454Z
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50061132 ((2S,3R,4E)-2-(Hexadecanoylamino)-3-hydroxy-1-[[2,6...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(COS([O-])(=O)=O)C(O)C(O)C1OS([O-])(=O)=O)[C@H](O)\C=C\CCCCCCCCCCCCC Show InChI InChI=1S/C40H77NO14S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)33(41-36(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)31-52-40-39(55-57(49,50)51)38(45)37(44)35(54-40)32-53-56(46,47)48/h27,29,33-35,37-40,42,44-45H,3-26,28,30-32H2,1-2H3,(H,41,43)(H,46,47,48)(H,49,50,51)/p-2/b29-27+/t33-,34+,35?,37?,38?,39?,40?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Selectin P in a cell-free binding assay				J Med Chem 40: 3234-47 (1997) Article DOI: 10.1021/jm9606960 BindingDB Entry DOI: 10.7270/Q21Z454Z
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50061135 ((2S,3R,4E)-3-(Benzoyloxy)-2-(hexadecanoylamino)-1-...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(COS([O-])(=O)=O)C(OC(C)=O)C(OS([O-])(=O)=O)C1OCc1ccccc1)[C@H](OCc1ccccc1)\C=C\CCCCCCCCCCCCC Show InChI InChI=1S/C56H91NO15S2/c1-4-6-8-10-12-14-16-18-20-22-24-26-34-40-50(66-42-47-36-30-28-31-37-47)49(57-52(59)41-35-27-25-23-21-19-17-15-13-11-9-7-5-2)44-68-56-55(67-43-48-38-32-29-33-39-48)54(72-74(63,64)65)53(70-46(3)58)51(71-56)45-69-73(60,61)62/h28-34,36-40,49-51,53-56H,4-27,35,41-45H2,1-3H3,(H,57,59)(H,60,61,62)(H,63,64,65)/p-2/b40-34+/t49-,50+,51?,53?,54?,55?,56?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Selectin P in a cell-free binding assay				J Med Chem 40: 3234-47 (1997) Article DOI: 10.1021/jm9606960 BindingDB Entry DOI: 10.7270/Q21Z454Z
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50061137 ((2S,3R,4E)-3-Hydroxy-2-(hexadecanoylamino)-1-[[4,6...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(COS([O-])(=O)=O)C(OS([O-])(=O)=O)C(O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC Show InChI InChI=1S/C40H77NO14S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)33(41-36(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)31-52-40-38(45)37(44)39(55-57(49,50)51)35(54-40)32-53-56(46,47)48/h27,29,33-35,37-40,42,44-45H,3-26,28,30-32H2,1-2H3,(H,41,43)(H,46,47,48)(H,49,50,51)/p-2/b29-27+/t33-,34+,35?,37?,38?,39?,40?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Selectin P in a cell-free binding assay				J Med Chem 40: 3234-47 (1997) Article DOI: 10.1021/jm9606960 BindingDB Entry DOI: 10.7270/Q21Z454Z
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50061131 ((2S,3R,4E)-3-Hydroxy-2-(hexadecanoylamino)-1-[[3,6...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(COS([O-])(=O)=O)C(O)C(OS([O-])(=O)=O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC Show InChI InChI=1S/C40H77NO14S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)33(41-36(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)31-52-40-38(45)39(55-57(49,50)51)37(44)35(54-40)32-53-56(46,47)48/h27,29,33-35,37-40,42,44-45H,3-26,28,30-32H2,1-2H3,(H,41,43)(H,46,47,48)(H,49,50,51)/p-2/b29-27+/t33-,34+,35?,37?,38?,39?,40?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Selectin P in a cell-free binding assay				J Med Chem 40: 3234-47 (1997) Article DOI: 10.1021/jm9606960 BindingDB Entry DOI: 10.7270/Q21Z454Z
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50061127 ((2S,3R,4E)-2-(Hexadecanoylamino)-3-hydroxy-1-[[2-O...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(CO)C(O)C(O)C1OS([O-])(=O)=O)[C@H](O)\C=C\CCCCCCCCCCCCC Show InChI InChI=1S/C40H77NO11S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(43)33(32-50-40-39(52-53(47,48)49)38(46)37(45)35(31-42)51-40)41-36(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,33-35,37-40,42-43,45-46H,3-26,28,30-32H2,1-2H3,(H,41,44)(H,47,48,49)/p-1/b29-27+/t33-,34+,35?,37?,38?,39?,40?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Selectin P in a cell-free binding assay				J Med Chem 40: 3234-47 (1997) Article DOI: 10.1021/jm9606960 BindingDB Entry DOI: 10.7270/Q21Z454Z
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50061129 ((2S,3R,4E)-2-(hexadecanoylamino)-3-(benzoyloxy)-1-...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(COCc2ccccc2)C(OC(C)=O)C(OS([O-])(=O)=O)C1OCc1ccccc1)[C@H](OCc1ccccc1)\C=C\CCCCCCCCCCCCC Show InChI InChI=1S/C63H97NO12S/c1-4-6-8-10-12-14-16-18-20-22-24-26-37-45-57(71-48-54-41-33-29-34-42-54)56(64-59(66)46-38-27-25-23-21-19-17-15-13-11-9-7-5-2)50-73-63-62(72-49-55-43-35-30-36-44-55)61(76-77(67,68)69)60(74-52(3)65)58(75-63)51-70-47-53-39-31-28-32-40-53/h28-37,39-45,56-58,60-63H,4-27,38,46-51H2,1-3H3,(H,64,66)(H,67,68,69)/p-1/b45-37+/t56-,57+,58?,60?,61?,62?,63?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Selectin P in a cell-free binding assay				J Med Chem 40: 3234-47 (1997) Article DOI: 10.1021/jm9606960 BindingDB Entry DOI: 10.7270/Q21Z454Z
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50496099 (CHEMBL3121151) Show SMILES CCN(CC)[C@@H](C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)OC)c1ccccc1 |r| Show InChI InChI=1S/C43H50N8O4/c1-5-49(6-2)38(33-12-8-7-9-13-33)42(53)51-25-11-15-37(51)40-45-27-35(48-40)32-22-18-30(19-23-32)29-16-20-31(21-17-29)34-26-44-39(47-34)36-14-10-24-50(36)41(52)28(3)46-43(54)55-4/h7-9,12-13,16-23,26-28,36-38H,5-6,10-11,14-15,24-25H2,1-4H3,(H,44,47)(H,45,48)(H,46,54)/t28-,36-,37-,38+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human ERG by whole cell patch clamp assay				J Med Chem 57: 2013-32 (2014) Article DOI: 10.1021/jm401836p BindingDB Entry DOI: 10.7270/Q28918V3
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50061121 ((2S,3R,4E)-2-(Hexadecanoylamino)-1-[[6-O-(sodium o...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(COS([O-])(=O)=O)C(O)C(O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC Show InChI InChI=1S/C40H77NO11S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)33(31-50-40-39(46)38(45)37(44)35(52-40)32-51-53(47,48)49)41-36(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,33-35,37-40,42,44-46H,3-26,28,30-32H2,1-2H3,(H,41,43)(H,47,48,49)/p-1/b29-27+/t33-,34+,35?,37?,38?,39?,40?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Selectin P in a cell-free binding assay				J Med Chem 40: 3234-47 (1997) Article DOI: 10.1021/jm9606960 BindingDB Entry DOI: 10.7270/Q21Z454Z
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50061134 ((2S,3R,4E)-2-(Hexadecanoylamino)-3-hydroxy-1-[[4-O...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(CO)C(OS([O-])(=O)=O)C(O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC Show InChI InChI=1S/C40H77NO11S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(43)33(32-50-40-38(46)37(45)39(35(31-42)51-40)52-53(47,48)49)41-36(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,33-35,37-40,42-43,45-46H,3-26,28,30-32H2,1-2H3,(H,41,44)(H,47,48,49)/p-1/b29-27+/t33-,34+,35?,37?,38?,39?,40?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Selectin P in a cell-free binding assay				J Med Chem 40: 3234-47 (1997) Article DOI: 10.1021/jm9606960 BindingDB Entry DOI: 10.7270/Q21Z454Z
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50387084 (BMS-790052 | DACLATASVIR) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c[nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1c[nH]c(n1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C40H50N8O6/c1-23(2)33(45-39(51)53-5)37(49)47-19-7-9-31(47)35-41-21-29(43-35)27-15-11-25(12-16-27)26-13-17-28(18-14-26)30-22-42-36(44-30)32-10-8-20-48(32)38(50)34(24(3)4)46-40(52)54-6/h11-18,21-24,31-34H,7-10,19-20H2,1-6H3,(H,41,43)(H,42,44)(H,45,51)(H,46,52)/t31-,32-,33-,34-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human ERG by whole cell patch clamp assay				J Med Chem 57: 2013-32 (2014) Article DOI: 10.1021/jm401836p BindingDB Entry DOI: 10.7270/Q28918V3
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50061123 (((Z)-2-Hydroxy-1-hydroxymethyl-heptadec-3-enyl)-ca...) Show SMILES CCCCCCCCCCCCC\C=C/C(O)C(CO)NC(=O)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O Show InChI InChI=1S/C25H47NO9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(29)18(16-27)26-25(33)35-24-23(32)22(31)21(30)20(17-28)34-24/h14-15,18-24,27-32H,2-13,16-17H2,1H3,(H,26,33)/b15-14-/t18?,19?,20-,21+,22+,23-,24+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Selectin P in a cell-free binding assay				J Med Chem 40: 3234-47 (1997) Article DOI: 10.1021/jm9606960 BindingDB Entry DOI: 10.7270/Q21Z454Z
					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))	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
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))	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))	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))	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))	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