Compile Data Set for Download or QSAR

Found 37 hits with Last Name = 'eummer' and Initial = 'j'   

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
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50201124 (3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidaz...) Show SMILES Cc1cc(cc2nc([nH]c12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)-n1ccnc1 Show InChI InChI=1S/C24H21ClN6O2/c1-14-9-17(31-8-7-26-13-31)11-19-22(14)30-23(29-19)21-18(5-6-27-24(21)33)28-12-20(32)15-3-2-4-16(25)10-15/h2-11,13,20,32H,12H2,1H3,(H,29,30)(H2,27,28,33)	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	<18	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Concentration required to inhibit Cytochrome P450 1A2 in vitro by 50%				J Med Chem 48: 5639-43 (2005) Article DOI: 10.1021/jm050392q BindingDB Entry DOI: 10.7270/Q2MW2GPP
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50201124 (3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidaz...) Show SMILES Cc1cc(cc2nc([nH]c12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)-n1ccnc1 Show InChI InChI=1S/C24H21ClN6O2/c1-14-9-17(31-8-7-26-13-31)11-19-22(14)30-23(29-19)21-18(5-6-27-24(21)33)28-12-20(32)15-3-2-4-16(25)10-15/h2-11,13,20,32H,12H2,1H3,(H,29,30)(H2,27,28,33)	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	<18	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Concentration required to inhibit Cytochrome P450 2C9 in vitro by 50%				J Med Chem 48: 5639-43 (2005) Article DOI: 10.1021/jm050392q BindingDB Entry DOI: 10.7270/Q2MW2GPP
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50201124 (3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidaz...) Show SMILES Cc1cc(cc2nc([nH]c12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)-n1ccnc1 Show InChI InChI=1S/C24H21ClN6O2/c1-14-9-17(31-8-7-26-13-31)11-19-22(14)30-23(29-19)21-18(5-6-27-24(21)33)28-12-20(32)15-3-2-4-16(25)10-15/h2-11,13,20,32H,12H2,1H3,(H,29,30)(H2,27,28,33)	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	<18	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Concentration required to inhibit cytochrome P450 isozyme CYP3A4-BzRes in vitro by 50%				J Med Chem 48: 5639-43 (2005) Article DOI: 10.1021/jm050392q BindingDB Entry DOI: 10.7270/Q2MW2GPP
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50201124 (3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidaz...) Show SMILES Cc1cc(cc2nc([nH]c12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)-n1ccnc1 Show InChI InChI=1S/C24H21ClN6O2/c1-14-9-17(31-8-7-26-13-31)11-19-22(14)30-23(29-19)21-18(5-6-27-24(21)33)28-12-20(32)15-3-2-4-16(25)10-15/h2-11,13,20,32H,12H2,1H3,(H,29,30)(H2,27,28,33)	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	<18	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Concentration required to inhibit cytochrome P450 isozyme CYP3A4-BFC in vitro by 50%				J Med Chem 48: 5639-43 (2005) Article DOI: 10.1021/jm050392q BindingDB Entry DOI: 10.7270/Q2MW2GPP
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50201124 (3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidaz...) Show SMILES Cc1cc(cc2nc([nH]c12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)-n1ccnc1 Show InChI InChI=1S/C24H21ClN6O2/c1-14-9-17(31-8-7-26-13-31)11-19-22(14)30-23(29-19)21-18(5-6-27-24(21)33)28-12-20(32)15-3-2-4-16(25)10-15/h2-11,13,20,32H,12H2,1H3,(H,29,30)(H2,27,28,33)	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	26	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Concentration required to inhibit cytochrome P450 isozyme CYP2C19 in vitro by 50%				J Med Chem 48: 5639-43 (2005) Article DOI: 10.1021/jm050392q BindingDB Entry DOI: 10.7270/Q2MW2GPP
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM27879 (4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...) Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCOCC1 |r| Show InChI InChI=1S/C25H26ClN5O3/c1-15-11-18(31-7-9-34-10-8-31)13-20-23(15)30-24(29-20)22-19(5-6-27-25(22)33)28-14-21(32)16-3-2-4-17(26)12-16/h2-6,11-13,21,32H,7-10,14H2,1H3,(H,29,30)(H2,27,28,33)/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description In vitro inhibitory concentration against IR kinase with ATP concentration at 1/2Km				J Med Chem 48: 5639-43 (2005) Article DOI: 10.1021/jm050392q BindingDB Entry DOI: 10.7270/Q2MW2GPP
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM27879 (4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...) Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCOCC1 |r| Show InChI InChI=1S/C25H26ClN5O3/c1-15-11-18(31-7-9-34-10-8-31)13-20-23(15)30-24(29-20)22-19(5-6-27-25(22)33)28-14-21(32)16-3-2-4-17(26)12-16/h2-6,11-13,21,32H,7-10,14H2,1H3,(H,29,30)(H2,27,28,33)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description In vitro inhibitory concentration against IGF-1R kinase				J Med Chem 48: 5639-43 (2005) Article DOI: 10.1021/jm050392q BindingDB Entry DOI: 10.7270/Q2MW2GPP
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM27879 (4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...) Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCOCC1 |r| Show InChI InChI=1S/C25H26ClN5O3/c1-15-11-18(31-7-9-34-10-8-31)13-20-23(15)30-24(29-20)22-19(5-6-27-25(22)33)28-14-21(32)16-3-2-4-17(26)12-16/h2-6,11-13,21,32H,7-10,14H2,1H3,(H,29,30)(H2,27,28,33)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description In vitro inhibitory concentration against IGF-1R Sal kinase with ATP concentration at 1/2Km				J Med Chem 48: 5639-43 (2005) Article DOI: 10.1021/jm050392q BindingDB Entry DOI: 10.7270/Q2MW2GPP
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM27879 (4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...) Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCOCC1 |r| Show InChI InChI=1S/C25H26ClN5O3/c1-15-11-18(31-7-9-34-10-8-31)13-20-23(15)30-24(29-20)22-19(5-6-27-25(22)33)28-14-21(32)16-3-2-4-17(26)12-16/h2-6,11-13,21,32H,7-10,14H2,1H3,(H,29,30)(H2,27,28,33)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description In vitro inhibitory concentration against FAK with ATP concentration at 1/2Km				J Med Chem 48: 5639-43 (2005) Article DOI: 10.1021/jm050392q BindingDB Entry DOI: 10.7270/Q2MW2GPP
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50201124 (3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidaz...) Show SMILES Cc1cc(cc2nc([nH]c12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)-n1ccnc1 Show InChI InChI=1S/C24H21ClN6O2/c1-14-9-17(31-8-7-26-13-31)11-19-22(14)30-23(29-19)21-18(5-6-27-24(21)33)28-12-20(32)15-3-2-4-16(25)10-15/h2-11,13,20,32H,12H2,1H3,(H,29,30)(H2,27,28,33)	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	180	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description In vitro inhibitory concentration against IGF-1R kinase				J Med Chem 48: 5639-43 (2005) Article DOI: 10.1021/jm050392q BindingDB Entry DOI: 10.7270/Q2MW2GPP
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM27879 (4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...) Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCOCC1 |r| Show InChI InChI=1S/C25H26ClN5O3/c1-15-11-18(31-7-9-34-10-8-31)13-20-23(15)30-24(29-20)22-19(5-6-27-25(22)33)28-14-21(32)16-3-2-4-17(26)12-16/h2-6,11-13,21,32H,7-10,14H2,1H3,(H,29,30)(H2,27,28,33)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	182	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description In vitro inhibitory concentration against MEK with ATP concentration at 1/2Km				J Med Chem 48: 5639-43 (2005) Article DOI: 10.1021/jm050392q BindingDB Entry DOI: 10.7270/Q2MW2GPP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM27879 (4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...) Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCOCC1 |r| Show InChI InChI=1S/C25H26ClN5O3/c1-15-11-18(31-7-9-34-10-8-31)13-20-23(15)30-24(29-20)22-19(5-6-27-25(22)33)28-14-21(32)16-3-2-4-17(26)12-16/h2-6,11-13,21,32H,7-10,14H2,1H3,(H,29,30)(H2,27,28,33)/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	341	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description In vitro inhibitory concentration against LCK with ATP concentration at 1/2Km				J Med Chem 48: 5639-43 (2005) Article DOI: 10.1021/jm050392q BindingDB Entry DOI: 10.7270/Q2MW2GPP
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM27879 (4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...) Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCOCC1 |r| Show InChI InChI=1S/C25H26ClN5O3/c1-15-11-18(31-7-9-34-10-8-31)13-20-23(15)30-24(29-20)22-19(5-6-27-25(22)33)28-14-21(32)16-3-2-4-17(26)12-16/h2-6,11-13,21,32H,7-10,14H2,1H3,(H,29,30)(H2,27,28,33)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Concentration required to inhibit cytochrome P450 isozyme CYP3A4-BFC in vitro by 50%				J Med Chem 48: 5639-43 (2005) Article DOI: 10.1021/jm050392q BindingDB Entry DOI: 10.7270/Q2MW2GPP
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM27879 (4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...) Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCOCC1 |r| Show InChI InChI=1S/C25H26ClN5O3/c1-15-11-18(31-7-9-34-10-8-31)13-20-23(15)30-24(29-20)22-19(5-6-27-25(22)33)28-14-21(32)16-3-2-4-17(26)12-16/h2-6,11-13,21,32H,7-10,14H2,1H3,(H,29,30)(H2,27,28,33)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents 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 Co Curated by ChEMBL					Assay Description Concentration required to inhibit cytochrome P450 isozyme CYP2C9 in vitro by 50%				J Med Chem 48: 5639-43 (2005) Article DOI: 10.1021/jm050392q BindingDB Entry DOI: 10.7270/Q2MW2GPP
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM27879 (4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...) Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCOCC1 |r| Show InChI InChI=1S/C25H26ClN5O3/c1-15-11-18(31-7-9-34-10-8-31)13-20-23(15)30-24(29-20)22-19(5-6-27-25(22)33)28-14-21(32)16-3-2-4-17(26)12-16/h2-6,11-13,21,32H,7-10,14H2,1H3,(H,29,30)(H2,27,28,33)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description In vitro inhibitory concentration against VEGFR2 with ATP concentration at 1/2Km				J Med Chem 48: 5639-43 (2005) Article DOI: 10.1021/jm050392q BindingDB Entry DOI: 10.7270/Q2MW2GPP
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM27879 (4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...) Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCOCC1 |r| Show InChI InChI=1S/C25H26ClN5O3/c1-15-11-18(31-7-9-34-10-8-31)13-20-23(15)30-24(29-20)22-19(5-6-27-25(22)33)28-14-21(32)16-3-2-4-17(26)12-16/h2-6,11-13,21,32H,7-10,14H2,1H3,(H,29,30)(H2,27,28,33)/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description In vitro inhibitory concentration EGF receptor with ATP concentration at 1/2Km				J Med Chem 48: 5639-43 (2005) Article DOI: 10.1021/jm050392q BindingDB Entry DOI: 10.7270/Q2MW2GPP
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM27879 (4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...) Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCOCC1 |r| Show InChI InChI=1S/C25H26ClN5O3/c1-15-11-18(31-7-9-34-10-8-31)13-20-23(15)30-24(29-20)22-19(5-6-27-25(22)33)28-14-21(32)16-3-2-4-17(26)12-16/h2-6,11-13,21,32H,7-10,14H2,1H3,(H,29,30)(H2,27,28,33)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Concentration required to inhibit cytochrome P450 isozyme CYP2C19 in vitro by 50%				J Med Chem 48: 5639-43 (2005) Article DOI: 10.1021/jm050392q BindingDB Entry DOI: 10.7270/Q2MW2GPP
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM27879 (4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...) Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCOCC1 |r| Show InChI InChI=1S/C25H26ClN5O3/c1-15-11-18(31-7-9-34-10-8-31)13-20-23(15)30-24(29-20)22-19(5-6-27-25(22)33)28-14-21(32)16-3-2-4-17(26)12-16/h2-6,11-13,21,32H,7-10,14H2,1H3,(H,29,30)(H2,27,28,33)/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.87E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Met with ATP concentration at 1/2Km				J Med Chem 48: 5639-43 (2005) Article DOI: 10.1021/jm050392q BindingDB Entry DOI: 10.7270/Q2MW2GPP
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM27879 (4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...) Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCOCC1 |r| Show InChI InChI=1S/C25H26ClN5O3/c1-15-11-18(31-7-9-34-10-8-31)13-20-23(15)30-24(29-20)22-19(5-6-27-25(22)33)28-14-21(32)16-3-2-4-17(26)12-16/h2-6,11-13,21,32H,7-10,14H2,1H3,(H,29,30)(H2,27,28,33)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Concentration required to inhibit cytochrome P450 isozyme CYP3A4-BzRes in vitro by 50%				J Med Chem 48: 5639-43 (2005) Article DOI: 10.1021/jm050392q BindingDB Entry DOI: 10.7270/Q2MW2GPP
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM27879 (4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...) Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCOCC1 |r| Show InChI InChI=1S/C25H26ClN5O3/c1-15-11-18(31-7-9-34-10-8-31)13-20-23(15)30-24(29-20)22-19(5-6-27-25(22)33)28-14-21(32)16-3-2-4-17(26)12-16/h2-6,11-13,21,32H,7-10,14H2,1H3,(H,29,30)(H2,27,28,33)/t21-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description In vitro inhibitory concentration against HER2 with ATP concentration at 1/2Km				J Med Chem 48: 5639-43 (2005) Article DOI: 10.1021/jm050392q BindingDB Entry DOI: 10.7270/Q2MW2GPP
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM27879 (4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...) Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCOCC1 |r| Show InChI InChI=1S/C25H26ClN5O3/c1-15-11-18(31-7-9-34-10-8-31)13-20-23(15)30-24(29-20)22-19(5-6-27-25(22)33)28-14-21(32)16-3-2-4-17(26)12-16/h2-6,11-13,21,32H,7-10,14H2,1H3,(H,29,30)(H2,27,28,33)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Concentration required to inhibit cytochrome P450 isozyme CYP1A2 in vitro by 50%				J Med Chem 48: 5639-43 (2005) Article DOI: 10.1021/jm050392q BindingDB Entry DOI: 10.7270/Q2MW2GPP
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM27879 (4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...) Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCOCC1 |r| Show InChI InChI=1S/C25H26ClN5O3/c1-15-11-18(31-7-9-34-10-8-31)13-20-23(15)30-24(29-20)22-19(5-6-27-25(22)33)28-14-21(32)16-3-2-4-17(26)12-16/h2-6,11-13,21,32H,7-10,14H2,1H3,(H,29,30)(H2,27,28,33)/t21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Concentration required to inhibit cytochrome P450 isozyme CYP2D6 in vitro by 50%; b = not determined				J Med Chem 48: 5639-43 (2005) Article DOI: 10.1021/jm050392q BindingDB Entry DOI: 10.7270/Q2MW2GPP
					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))	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
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))	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))	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))	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))	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))	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))	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