Compile Data Set for Download or QSAR

Found 51 hits with Last Name = 'otter' and Initial = 'gm'   

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
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50016326 (2-{4-[(2,4-Diamino-5-methyl-pyrido[2,3-d]pyrimidin...) Show SMILES Cc1c(CNc2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)cnc2nc(N)nc(N)c12 Show InChI InChI=1S/C21H23N7O5/c1-10-12(9-25-18-16(10)17(22)27-21(23)28-18)8-24-13-4-2-11(3-5-13)19(31)26-14(20(32)33)6-7-15(29)30/h2-5,9,14,24H,6-8H2,1H3,(H,26,31)(H,29,30)(H,32,33)(H4,22,23,25,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) of L-1210 cells				J Med Chem 31: 1209-15 (1988) BindingDB Entry DOI: 10.7270/Q2930S6N
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM66082 ((2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methy...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB PubMed	0	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) of L-1210 cells				J Med Chem 31: 1209-15 (1988) BindingDB Entry DOI: 10.7270/Q2930S6N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50023681 (2-{4-[(2,4-Diamino-5,7-dimethyl-pyrido[2,3-d]pyrim...) Show SMILES Cc1nc2nc(N)nc(N)c2c(C)c1CNc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C22H25N7O5/c1-10-14(11(2)26-19-17(10)18(23)28-22(24)29-19)9-25-13-5-3-12(4-6-13)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,15,25H,7-9H2,1-2H3,(H,27,32)(H,30,31)(H,33,34)(H4,23,24,26,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.00200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) of L-1210 cells				J Med Chem 31: 1209-15 (1988) BindingDB Entry DOI: 10.7270/Q2930S6N
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50043393 (2-({4-[(2,4-Diamino-pyrido[2,3-d]pyrimidin-6-ylmet...) Show SMILES Nc1nc(N)c2cc(CNc3ccc(C(=O)NC(CCC(O)=O)C(O)=O)c4ccccc34)cnc2n1 Show InChI InChI=1S/C24H23N7O5/c25-20-16-9-12(11-28-21(16)31-24(26)30-20)10-27-17-6-5-15(13-3-1-2-4-14(13)17)22(34)29-18(23(35)36)7-8-19(32)33/h1-6,9,11,18,27H,7-8,10H2,(H,29,34)(H,32,33)(H,35,36)(H4,25,26,28,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.00365	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Inhibitory activity of Dihydrofolate reductase in L1210 cells				J Med Chem 36: 4161-71 (1994) BindingDB Entry DOI: 10.7270/Q2BC3XNB
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50023682 (2-{4-[(2,4-Diamino-5-methyl-7-phenyl-pyrido[2,3-d]...) Show SMILES Cc1c(CNc2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)c(nc2nc(N)nc(N)c12)-c1ccccc1 Show InChI InChI=1S/C27H27N7O5/c1-14-18(22(15-5-3-2-4-6-15)32-24-21(14)23(28)33-27(29)34-24)13-30-17-9-7-16(8-10-17)25(37)31-19(26(38)39)11-12-20(35)36/h2-10,19,30H,11-13H2,1H3,(H,31,37)(H,35,36)(H,38,39)(H4,28,29,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>0.00400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) of L-1210 cells				J Med Chem 31: 1209-15 (1988) BindingDB Entry DOI: 10.7270/Q2930S6N
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50023684 (2-{4-[(2,4-Diamino-7-methyl-5-phenyl-pyrido[2,3-d]...) Show SMILES Cc1nc2nc(N)nc(N)c2c(-c2ccccc2)c1CNc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C27H27N7O5/c1-14-18(21(15-5-3-2-4-6-15)22-23(28)33-27(29)34-24(22)31-14)13-30-17-9-7-16(8-10-17)25(37)32-19(26(38)39)11-12-20(35)36/h2-10,19,30H,11-13H2,1H3,(H,32,37)(H,35,36)(H,38,39)(H4,28,29,31,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>0.00400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) of L-1210 cells				J Med Chem 31: 1209-15 (1988) BindingDB Entry DOI: 10.7270/Q2930S6N
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50023680 (2-{4-[(2,4-Diamino-7-phenyl-pyrido[2,3-d]pyrimidin...) Show SMILES Nc1nc(N)c2cc(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)c(nc2n1)-c1ccccc1 Show InChI InChI=1S/C26H25N7O5/c27-22-18-12-16(21(14-4-2-1-3-5-14)31-23(18)33-26(28)32-22)13-29-17-8-6-15(7-9-17)24(36)30-19(25(37)38)10-11-20(34)35/h1-9,12,19,29H,10-11,13H2,(H,30,36)(H,34,35)(H,37,38)(H4,27,28,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>0.00400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) of L-1210 cells				J Med Chem 31: 1209-15 (1988) BindingDB Entry DOI: 10.7270/Q2930S6N
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50023683 (2-{4-[(2,4-Diamino-7-methyl-pyrido[2,3-d]pyrimidin...) Show SMILES Cc1nc2nc(N)nc(N)c2cc1CNc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C21H23N7O5/c1-10-12(8-14-17(22)27-21(23)28-18(14)25-10)9-24-13-4-2-11(3-5-13)19(31)26-15(20(32)33)6-7-16(29)30/h2-5,8,15,24H,6-7,9H2,1H3,(H,26,31)(H,29,30)(H,32,33)(H4,22,23,25,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>0.00400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) of L-1210 cells				J Med Chem 31: 1209-15 (1988) BindingDB Entry DOI: 10.7270/Q2930S6N
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50043396 (2-({4-[(2,4-Diamino-pteridin-6-ylmethyl)-amino]-na...) Show SMILES Nc1nc(N)c2nc(CNc3ccc(C(=O)NC(CCC(O)=O)C(O)=O)c4ccccc34)cnc2n1 Show InChI InChI=1S/C23H22N8O5/c24-19-18-20(31-23(25)30-19)27-10-11(28-18)9-26-15-6-5-14(12-3-1-2-4-13(12)15)21(34)29-16(22(35)36)7-8-17(32)33/h1-6,10,16,26H,7-9H2,(H,29,34)(H,32,33)(H,35,36)(H4,24,25,27,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.00455	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Inhibitory activity of Dihydrofolate reductase in L1210 cells				J Med Chem 36: 4161-71 (1994) BindingDB Entry DOI: 10.7270/Q2BC3XNB
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50043399 (2-({4-[(2,4-Diamino-pyrido[2,3-d]pyrimidin-6-ylmet...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2c1)c1ccc(C(=O)NC(CCC(O)=O)C(O)=O)c2ccccc12 Show InChI InChI=1S/C25H25N7O5/c1-32(12-13-10-17-21(26)30-25(27)31-22(17)28-11-13)19-8-6-16(14-4-2-3-5-15(14)19)23(35)29-18(24(36)37)7-9-20(33)34/h2-6,8,10-11,18H,7,9,12H2,1H3,(H,29,35)(H,33,34)(H,36,37)(H4,26,27,28,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.00465	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Inhibitory activity of Dihydrofolate reductase in L1210 cells				J Med Chem 36: 4161-71 (1994) BindingDB Entry DOI: 10.7270/Q2BC3XNB
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	0.00480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Compound was evaluated in vitro for the inhibition of dihydrofolate reductase (DHFR) in L1210 cells				J Med Chem 35: 3002-6 (1992) BindingDB Entry DOI: 10.7270/Q2MP527Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	0.00482	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Inhibitory activity of Dihydrofolate reductase in L1210 cells				J Med Chem 36: 4161-71 (1994) BindingDB Entry DOI: 10.7270/Q2BC3XNB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50043395 (2-({4-[(2,4-Diamino-5-methyl-pyrido[2,3-d]pyrimidi...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2c1C)c1ccc(C(=O)NC(CCC(O)=O)C(O)=O)c2ccccc12 Show InChI InChI=1S/C26H27N7O5/c1-13-14(11-29-23-21(13)22(27)31-26(28)32-23)12-33(2)19-9-7-17(15-5-3-4-6-16(15)19)24(36)30-18(25(37)38)8-10-20(34)35/h3-7,9,11,18H,8,10,12H2,1-2H3,(H,30,36)(H,34,35)(H,37,38)(H4,27,28,29,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.00484	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Inhibitory activity of Dihydrofolate reductase in L1210 cells				J Med Chem 36: 4161-71 (1994) BindingDB Entry DOI: 10.7270/Q2BC3XNB
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50043400 (2-({4-[(2,4-Diamino-5-methyl-pyrido[2,3-d]pyrimidi...) Show SMILES Cc1c(CNc2ccc(C(=O)NC(CCC(O)=O)C(O)=O)c3ccccc23)cnc2nc(N)nc(N)c12 Show InChI InChI=1S/C25H25N7O5/c1-12-13(11-29-22-20(12)21(26)31-25(27)32-22)10-28-17-7-6-16(14-4-2-3-5-15(14)17)23(35)30-18(24(36)37)8-9-19(33)34/h2-7,11,18,28H,8-10H2,1H3,(H,30,35)(H,33,34)(H,36,37)(H4,26,27,29,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.00508	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Inhibitory activity of Dihydrofolate reductase in L1210 cells				J Med Chem 36: 4161-71 (1994) BindingDB Entry DOI: 10.7270/Q2BC3XNB
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50043398 (2-({4-[(2,4-Diamino-quinazolin-6-ylmethyl)-amino]-...) Show SMILES Nc1nc(N)c2cc(CNc3ccc(C(=O)NC(CCC(O)=O)C(O)=O)c4ccccc34)ccc2n1 Show InChI InChI=1S/C25H24N6O5/c26-22-17-11-13(5-7-19(17)30-25(27)31-22)12-28-18-8-6-16(14-3-1-2-4-15(14)18)23(34)29-20(24(35)36)9-10-21(32)33/h1-8,11,20,28H,9-10,12H2,(H,29,34)(H,32,33)(H,35,36)(H4,26,27,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.00520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Inhibitory activity of Dihydrofolate reductase in L1210 cells				J Med Chem 36: 4161-71 (1994) BindingDB Entry DOI: 10.7270/Q2BC3XNB
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50043394 (2-({4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-am...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(O)=O)C(O)=O)c2ccccc12 Show InChI InChI=1S/C24H24N8O5/c1-32(11-12-10-27-21-19(28-12)20(25)30-24(26)31-21)17-8-6-15(13-4-2-3-5-14(13)17)22(35)29-16(23(36)37)7-9-18(33)34/h2-6,8,10,16H,7,9,11H2,1H3,(H,29,35)(H,33,34)(H,36,37)(H4,25,26,27,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.00522	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Inhibitory activity of Dihydrofolate reductase in L1210 cells				J Med Chem 36: 4161-71 (1994) BindingDB Entry DOI: 10.7270/Q2BC3XNB
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50043397 (2-({4-[(2,4-Diamino-pyrido[2,3-d]pyrimidin-6-ylmet...) Show SMILES Nc1nc(N)c2cc(CNc3ccc(C(=O)NC(CCC(O)=O)C(O)=O)c4CCCCc34)cnc2n1 Show InChI InChI=1S/C24H27N7O5/c25-20-16-9-12(11-28-21(16)31-24(26)30-20)10-27-17-6-5-15(13-3-1-2-4-14(13)17)22(34)29-18(23(35)36)7-8-19(32)33/h5-6,9,11,18,27H,1-4,7-8,10H2,(H,29,34)(H,32,33)(H,35,36)(H4,25,26,28,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.0131	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Inhibitory activity of Dihydrofolate reductase in L1210 cells				J Med Chem 36: 4161-71 (1994) BindingDB Entry DOI: 10.7270/Q2BC3XNB
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50004544 (2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-propyl]-...) Show SMILES CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C22H25N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,10-11,15H,2,7-9H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H4,23,24,25,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Compound was evaluated in vitro for the inhibition of dihydrofolate reductase (DHFR) in L1210 cells				J Med Chem 35: 3002-6 (1992) BindingDB Entry DOI: 10.7270/Q2MP527Z
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50043394 (2-({4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-am...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(O)=O)C(O)=O)c2ccccc12 Show InChI InChI=1S/C24H24N8O5/c1-32(11-12-10-27-21-19(28-12)20(25)30-24(26)31-21)17-8-6-15(13-4-2-3-5-14(13)17)22(35)29-16(23(36)37)7-9-18(33)34/h2-6,8,10,16H,7,9,11H2,1H3,(H,29,35)(H,33,34)(H,36,37)(H4,25,26,27,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.000190	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Tested for inhibition against P. carinii DHFR (dihydrofolate reductase)				J Med Chem 36: 4161-71 (1994) BindingDB Entry DOI: 10.7270/Q2BC3XNB
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50016325 (2-{4-[(2,4-Diamino-pyrido[2,3-d]pyrimidin-6-ylmeth...) Show SMILES Nc1nc(N)c2cc(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cnc2n1 Show InChI InChI=1S/C20H21N7O5/c21-16-13-7-10(9-24-17(13)27-20(22)26-16)8-23-12-3-1-11(2-4-12)18(30)25-14(19(31)32)5-6-15(28)29/h1-4,7,9,14,23H,5-6,8H2,(H,25,30)(H,28,29)(H,31,32)(H4,21,22,24,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.000530	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Inhibition against Pneumocystis carinii Dihydrofolate reductase				J Med Chem 36: 4161-71 (1994) BindingDB Entry DOI: 10.7270/Q2BC3XNB
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50043393 (2-({4-[(2,4-Diamino-pyrido[2,3-d]pyrimidin-6-ylmet...) Show SMILES Nc1nc(N)c2cc(CNc3ccc(C(=O)NC(CCC(O)=O)C(O)=O)c4ccccc34)cnc2n1 Show InChI InChI=1S/C24H23N7O5/c25-20-16-9-12(11-28-21(16)31-24(26)30-20)10-27-17-6-5-15(13-3-1-2-4-14(13)17)22(34)29-18(23(35)36)7-8-19(32)33/h1-6,9,11,18,27H,7-8,10H2,(H,29,34)(H,32,33)(H,35,36)(H4,25,26,28,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.000530	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Tested for inhibition against Dihydrofolate reductase from P. carinii				J Med Chem 36: 4161-71 (1994) BindingDB Entry DOI: 10.7270/Q2BC3XNB
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50043393 (2-({4-[(2,4-Diamino-pyrido[2,3-d]pyrimidin-6-ylmet...) Show SMILES Nc1nc(N)c2cc(CNc3ccc(C(=O)NC(CCC(O)=O)C(O)=O)c4ccccc34)cnc2n1 Show InChI InChI=1S/C24H23N7O5/c25-20-16-9-12(11-28-21(16)31-24(26)30-20)10-27-17-6-5-15(13-3-1-2-4-14(13)17)22(34)29-18(23(35)36)7-8-19(32)33/h1-6,9,11,18,27H,7-8,10H2,(H,29,34)(H,32,33)(H,35,36)(H4,25,26,28,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.000530	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Tested for inhibition against Dihydrofolate reductase from P. carinii				J Med Chem 36: 4161-71 (1994) BindingDB Entry DOI: 10.7270/Q2BC3XNB
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50043393 (2-({4-[(2,4-Diamino-pyrido[2,3-d]pyrimidin-6-ylmet...) Show SMILES Nc1nc(N)c2cc(CNc3ccc(C(=O)NC(CCC(O)=O)C(O)=O)c4ccccc34)cnc2n1 Show InChI InChI=1S/C24H23N7O5/c25-20-16-9-12(11-28-21(16)31-24(26)30-20)10-27-17-6-5-15(13-3-1-2-4-14(13)17)22(34)29-18(23(35)36)7-8-19(32)33/h1-6,9,11,18,27H,7-8,10H2,(H,29,34)(H,32,33)(H,35,36)(H4,25,26,28,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.00160	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Tested for inhibition against Dihydrofolate reductase from T. gondii				J Med Chem 36: 4161-71 (1994) BindingDB Entry DOI: 10.7270/Q2BC3XNB
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50016325 (2-{4-[(2,4-Diamino-pyrido[2,3-d]pyrimidin-6-ylmeth...) Show SMILES Nc1nc(N)c2cc(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cnc2n1 Show InChI InChI=1S/C20H21N7O5/c21-16-13-7-10(9-24-17(13)27-20(22)26-16)8-23-12-3-1-11(2-4-12)18(30)25-14(19(31)32)5-6-15(28)29/h1-4,7,9,14,23H,5-6,8H2,(H,25,30)(H,28,29)(H,31,32)(H4,21,22,24,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.00160	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Inhibition against rat liver Dihydrofolate reductase				J Med Chem 36: 4161-71 (1994) BindingDB Entry DOI: 10.7270/Q2BC3XNB
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50016325 (2-{4-[(2,4-Diamino-pyrido[2,3-d]pyrimidin-6-ylmeth...) Show SMILES Nc1nc(N)c2cc(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cnc2n1 Show InChI InChI=1S/C20H21N7O5/c21-16-13-7-10(9-24-17(13)27-20(22)26-16)8-23-12-3-1-11(2-4-12)18(30)25-14(19(31)32)5-6-15(28)29/h1-4,7,9,14,23H,5-6,8H2,(H,25,30)(H,28,29)(H,31,32)(H4,21,22,24,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.00210	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Inhibition against Toxoplasma gondii Dihydrofolate reductase				J Med Chem 36: 4161-71 (1994) BindingDB Entry DOI: 10.7270/Q2BC3XNB
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50043394 (2-({4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-am...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(O)=O)C(O)=O)c2ccccc12 Show InChI InChI=1S/C24H24N8O5/c1-32(11-12-10-27-21-19(28-12)20(25)30-24(26)31-21)17-8-6-15(13-4-2-3-5-14(13)17)22(35)29-16(23(36)37)7-9-18(33)34/h2-6,8,10,16H,7,9,11H2,1H3,(H,29,35)(H,33,34)(H,36,37)(H4,25,26,27,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.00250	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Tested for inhibition against rat liver DHFR (dihydrofolate reductase)				J Med Chem 36: 4161-71 (1994) BindingDB Entry DOI: 10.7270/Q2BC3XNB
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta (Homo sapiens (Human))	BDBM50470378 (CHEMBL108283) Show SMILES CNC(=O)OCc1cc(NC(=O)OC(C)(C)C)cc(Nc2c3ccccc3nc3ccccc23)c1 Show InChI InChI=1S/C27H28N4O4/c1-27(2,3)35-26(33)30-19-14-17(16-34-25(32)28-4)13-18(15-19)29-24-20-9-5-7-11-22(20)31-23-12-8-6-10-21(23)24/h5-15H,16H2,1-4H3,(H,28,32)(H,29,31)(H,30,33)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Sloan-Kettering Institute for Cancer Research Curated by ChEMBL					Assay Description In vitro 50% inhibition of topoisomerase II mediated k-DNA decatenation				J Med Chem 38: 3226-35 (1995) Article DOI: 10.1021/jm00017a006 BindingDB Entry DOI: 10.7270/Q2XS5Z3R
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta (Homo sapiens (Human))	BDBM50470365 (CHEMBL326664) Show SMILES CS(=O)(=O)Nc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1 Show InChI InChI=1S/C21H19N3O3S/c1-28(26,27)24-16-11-14(13-25)10-15(12-16)22-21-17-6-2-4-8-19(17)23-20-9-5-3-7-18(20)21/h2-12,24-25H,13H2,1H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Sloan-Kettering Institute for Cancer Research Curated by ChEMBL					Assay Description In vitro 50% inhibition of topoisomerase II mediated k-DNA decatenation				J Med Chem 38: 3226-35 (1995) Article DOI: 10.1021/jm00017a006 BindingDB Entry DOI: 10.7270/Q2XS5Z3R
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta (Homo sapiens (Human))	BDBM50470374 (CHEMBL322325) Show SMILES CN(C)CCCC(=O)Nc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1 Show InChI InChI=1S/C26H28N4O2/c1-30(2)13-7-12-25(32)27-19-14-18(17-31)15-20(16-19)28-26-21-8-3-5-10-23(21)29-24-11-6-4-9-22(24)26/h3-6,8-11,14-16,31H,7,12-13,17H2,1-2H3,(H,27,32)(H,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Sloan-Kettering Institute for Cancer Research Curated by ChEMBL					Assay Description In vitro 50% inhibition of topoisomerase II mediated k-DNA decatenation				J Med Chem 38: 3226-35 (1995) Article DOI: 10.1021/jm00017a006 BindingDB Entry DOI: 10.7270/Q2XS5Z3R
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta (Homo sapiens (Human))	BDBM50470371 (CHEMBL325543) Show SMILES CC(=O)OCc1cc(Nc2c3ccccc3nc3ccccc23)cc(NS(C)(=O)=O)c1 Show InChI InChI=1S/C23H21N3O4S/c1-15(27)30-14-16-11-17(13-18(12-16)26-31(2,28)29)24-23-19-7-3-5-9-21(19)25-22-10-6-4-8-20(22)23/h3-13,26H,14H2,1-2H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Sloan-Kettering Institute for Cancer Research Curated by ChEMBL					Assay Description In vitro 50% inhibition of topoisomerase II mediated k-DNA decatenation				J Med Chem 38: 3226-35 (1995) Article DOI: 10.1021/jm00017a006 BindingDB Entry DOI: 10.7270/Q2XS5Z3R
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta (Homo sapiens (Human))	BDBM50470361 (CHEMBL108404) Show SMILES CNC(=O)OCc1cc(N)cc(Nc2c3ccccc3nc3ccccc23)c1 Show InChI InChI=1S/C22H20N4O2/c1-24-22(27)28-13-14-10-15(23)12-16(11-14)25-21-17-6-2-4-8-19(17)26-20-9-5-3-7-18(20)21/h2-12H,13,23H2,1H3,(H,24,27)(H,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	116	n/a	n/a	n/a	n/a	n/a	n/a
Sloan-Kettering Institute for Cancer Research Curated by ChEMBL					Assay Description In vitro 50% inhibition of topoisomerase II mediated k-DNA decatenation				J Med Chem 38: 3226-35 (1995) Article DOI: 10.1021/jm00017a006 BindingDB Entry DOI: 10.7270/Q2XS5Z3R
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta (Homo sapiens (Human))	BDBM50470369 (CHEMBL325588) Show SMILES OCc1cccc(Nc2c3ccccc3nc3ccccc23)c1 Show InChI InChI=1S/C20H16N2O/c23-13-14-6-5-7-15(12-14)21-20-16-8-1-3-10-18(16)22-19-11-4-2-9-17(19)20/h1-12,23H,13H2,(H,21,22)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	226	n/a	n/a	n/a	n/a	n/a	n/a
Sloan-Kettering Institute for Cancer Research Curated by ChEMBL					Assay Description In vitro 50% inhibition of topoisomerase II mediated k-DNA decatenation				J Med Chem 38: 3226-35 (1995) Article DOI: 10.1021/jm00017a006 BindingDB Entry DOI: 10.7270/Q2XS5Z3R
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta (Homo sapiens (Human))	BDBM50470357 (CHEMBL321473) Show SMILES Nc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1 Show InChI InChI=1S/C20H17N3O/c21-14-9-13(12-24)10-15(11-14)22-20-16-5-1-3-7-18(16)23-19-8-4-2-6-17(19)20/h1-11,24H,12,21H2,(H,22,23)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sloan-Kettering Institute for Cancer Research Curated by ChEMBL					Assay Description In vitro 50% inhibition of topoisomerase II mediated k-DNA decatenation				J Med Chem 38: 3226-35 (1995) Article DOI: 10.1021/jm00017a006 BindingDB Entry DOI: 10.7270/Q2XS5Z3R
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta (Homo sapiens (Human))	BDBM50470362 (CHEMBL444329) Show SMILES CC(=O)CCC(=O)Nc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1 Show InChI InChI=1S/C25H23N3O3/c1-16(30)10-11-24(31)26-18-12-17(15-29)13-19(14-18)27-25-20-6-2-4-8-22(20)28-23-9-5-3-7-21(23)25/h2-9,12-14,29H,10-11,15H2,1H3,(H,26,31)(H,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sloan-Kettering Institute for Cancer Research Curated by ChEMBL					Assay Description In vitro 50% inhibition of topoisomerase II mediated k-DNA decatenation				J Med Chem 38: 3226-35 (1995) Article DOI: 10.1021/jm00017a006 BindingDB Entry DOI: 10.7270/Q2XS5Z3R
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta (Homo sapiens (Human))	BDBM87351 (Amsacrine hydrochloride | CHEMBL43 | MLS002153376 ...) Show SMILES COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12 Show InChI InChI=1S/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sloan-Kettering Institute for Cancer Research Curated by ChEMBL					Assay Description In vitro 50% inhibition of topoisomerase II mediated k-DNA decatenation				J Med Chem 38: 3226-35 (1995) Article DOI: 10.1021/jm00017a006 BindingDB Entry DOI: 10.7270/Q2XS5Z3R
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA topoisomerase 2-alpha/2-beta (Homo sapiens (Human))	BDBM50470360 (CHEMBL109928) Show SMILES CC(=O)CCC(=O)Nc1cc(COC(=O)CCC(C)=O)cc(Nc2c3ccccc3nc3ccccc23)c1 Show InChI InChI=1S/C30H29N3O5/c1-19(34)11-13-28(36)31-22-15-21(18-38-29(37)14-12-20(2)35)16-23(17-22)32-30-24-7-3-5-9-26(24)33-27-10-6-4-8-25(27)30/h3-10,15-17H,11-14,18H2,1-2H3,(H,31,36)(H,32,33)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sloan-Kettering Institute for Cancer Research Curated by ChEMBL					Assay Description In vitro 50% inhibition of topoisomerase II mediated k-DNA decatenation				J Med Chem 38: 3226-35 (1995) Article DOI: 10.1021/jm00017a006 BindingDB Entry DOI: 10.7270/Q2XS5Z3R
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta (Homo sapiens (Human))	BDBM50470364 (CHEMBL111592) Show SMILES [Cl-].CS(=O)(=O)Nc1cc(C[n+]2ccccc2)cc(Nc2c3ccccc3nc3ccccc23)c1 Show InChI InChI=1S/C26H23N4O2S/c1-33(31,32)29-21-16-19(18-30-13-7-2-8-14-30)15-20(17-21)27-26-22-9-3-5-11-24(22)28-25-12-6-4-10-23(25)26/h2-17,29H,18H2,1H3,(H,27,28)/q+1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sloan-Kettering Institute for Cancer Research Curated by ChEMBL					Assay Description In vitro 50% inhibition of topoisomerase II mediated k-DNA decatenation				J Med Chem 38: 3226-35 (1995) Article DOI: 10.1021/jm00017a006 BindingDB Entry DOI: 10.7270/Q2XS5Z3R
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta (Homo sapiens (Human))	BDBM50470367 (CHEMBL109942) Show SMILES CNC(=O)OCc1ccc(Oc2c3ccccc3nc3ccccc23)cc1 Show InChI InChI=1S/C22H18N2O3/c1-23-22(25)26-14-15-10-12-16(13-11-15)27-21-17-6-2-4-8-19(17)24-20-9-5-3-7-18(20)21/h2-13H,14H2,1H3,(H,23,25)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sloan-Kettering Institute for Cancer Research Curated by ChEMBL					Assay Description In vitro 50% inhibition of topoisomerase II mediated k-DNA decatenation				J Med Chem 38: 3226-35 (1995) Article DOI: 10.1021/jm00017a006 BindingDB Entry DOI: 10.7270/Q2XS5Z3R
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta (Homo sapiens (Human))	BDBM50470355 (CHEMBL320354) Show SMILES CC(C)NC(=O)OCc1ccc(Oc2c3ccccc3nc3ccccc23)cc1 Show InChI InChI=1S/C24H22N2O3/c1-16(2)25-24(27)28-15-17-11-13-18(14-12-17)29-23-19-7-3-5-9-21(19)26-22-10-6-4-8-20(22)23/h3-14,16H,15H2,1-2H3,(H,25,27)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sloan-Kettering Institute for Cancer Research Curated by ChEMBL					Assay Description In vitro 50% inhibition of topoisomerase II mediated k-DNA decatenation				J Med Chem 38: 3226-35 (1995) Article DOI: 10.1021/jm00017a006 BindingDB Entry DOI: 10.7270/Q2XS5Z3R
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta (Homo sapiens (Human))	BDBM50470373 (CHEMBL326274) Show SMILES OCc1cc(NC(=O)CCC(O)=O)cc(Nc2c3ccccc3nc3ccccc23)c1 Show InChI InChI=1S/C24H21N3O4/c28-14-15-11-16(25-22(29)9-10-23(30)31)13-17(12-15)26-24-18-5-1-3-7-20(18)27-21-8-4-2-6-19(21)24/h1-8,11-13,28H,9-10,14H2,(H,25,29)(H,26,27)(H,30,31)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sloan-Kettering Institute for Cancer Research Curated by ChEMBL					Assay Description In vitro 50% inhibition of topoisomerase II mediated k-DNA decatenation				J Med Chem 38: 3226-35 (1995) Article DOI: 10.1021/jm00017a006 BindingDB Entry DOI: 10.7270/Q2XS5Z3R
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta (Homo sapiens (Human))	BDBM50470372 (CHEMBL322491) Show SMILES COc1cccc2c(Oc3ccc(CO)cc3)c3ccccc3nc12 Show InChI InChI=1S/C21H17NO3/c1-24-19-8-4-6-17-20(19)22-18-7-3-2-5-16(18)21(17)25-15-11-9-14(13-23)10-12-15/h2-12,23H,13H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sloan-Kettering Institute for Cancer Research Curated by ChEMBL					Assay Description In vitro 50% inhibition of topoisomerase II mediated k-DNA decatenation				J Med Chem 38: 3226-35 (1995) Article DOI: 10.1021/jm00017a006 BindingDB Entry DOI: 10.7270/Q2XS5Z3R
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta (Homo sapiens (Human))	BDBM50470375 (CHEMBL111261) Show SMILES CNC(=O)OCc1ccc(Sc2c3ccccc3nc3ccccc23)cc1 Show InChI InChI=1S/C22H18N2O2S/c1-23-22(25)26-14-15-10-12-16(13-11-15)27-21-17-6-2-4-8-19(17)24-20-9-5-3-7-18(20)21/h2-13H,14H2,1H3,(H,23,25)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sloan-Kettering Institute for Cancer Research Curated by ChEMBL					Assay Description In vitro 50% inhibition of topoisomerase II mediated k-DNA decatenation				J Med Chem 38: 3226-35 (1995) Article DOI: 10.1021/jm00017a006 BindingDB Entry DOI: 10.7270/Q2XS5Z3R
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta (Homo sapiens (Human))	BDBM50470376 (CHEMBL109880) Show SMILES CC(C)NC(=O)OCc1ccc(Sc2c3ccccc3nc3ccccc23)cc1 Show InChI InChI=1S/C24H22N2O2S/c1-16(2)25-24(27)28-15-17-11-13-18(14-12-17)29-23-19-7-3-5-9-21(19)26-22-10-6-4-8-20(22)23/h3-14,16H,15H2,1-2H3,(H,25,27)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sloan-Kettering Institute for Cancer Research Curated by ChEMBL					Assay Description In vitro 50% inhibition of topoisomerase II mediated k-DNA decatenation				J Med Chem 38: 3226-35 (1995) Article DOI: 10.1021/jm00017a006 BindingDB Entry DOI: 10.7270/Q2XS5Z3R
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta (Homo sapiens (Human))	BDBM50470359 (CHEMBL320495) Show SMILES CNC(=O)OCc1ccc(Oc2c3ccccc3nc3c(OC)cccc23)cc1 Show InChI InChI=1S/C23H20N2O4/c1-24-23(26)28-14-15-10-12-16(13-11-15)29-22-17-6-3-4-8-19(17)25-21-18(22)7-5-9-20(21)27-2/h3-13H,14H2,1-2H3,(H,24,26)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sloan-Kettering Institute for Cancer Research Curated by ChEMBL					Assay Description In vitro 50% inhibition of topoisomerase II mediated k-DNA decatenation				J Med Chem 38: 3226-35 (1995) Article DOI: 10.1021/jm00017a006 BindingDB Entry DOI: 10.7270/Q2XS5Z3R
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta (Homo sapiens (Human))	BDBM50470363 (CHEMBL111735) Show SMILES COc1cccc2c(Sc3ccc(CO)cc3)c3ccccc3nc12 Show InChI InChI=1S/C21H17NO2S/c1-24-19-8-4-6-17-20(19)22-18-7-3-2-5-16(18)21(17)25-15-11-9-14(13-23)10-12-15/h2-12,23H,13H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sloan-Kettering Institute for Cancer Research Curated by ChEMBL					Assay Description In vitro 50% inhibition of topoisomerase II mediated k-DNA decatenation				J Med Chem 38: 3226-35 (1995) Article DOI: 10.1021/jm00017a006 BindingDB Entry DOI: 10.7270/Q2XS5Z3R
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta (Homo sapiens (Human))	BDBM50470356 (CHEMBL109743) Show SMILES OCc1ccc(Oc2c3ccccc3nc3ccccc23)cc1 Show InChI InChI=1S/C20H15NO2/c22-13-14-9-11-15(12-10-14)23-20-16-5-1-3-7-18(16)21-19-8-4-2-6-17(19)20/h1-12,22H,13H2	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sloan-Kettering Institute for Cancer Research Curated by ChEMBL					Assay Description In vitro 50% inhibition of topoisomerase II mediated k-DNA decatenation				J Med Chem 38: 3226-35 (1995) Article DOI: 10.1021/jm00017a006 BindingDB Entry DOI: 10.7270/Q2XS5Z3R
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta (Homo sapiens (Human))	BDBM50470368 (CHEMBL111502) Show SMILES OCc1ccc(Sc2c3ccccc3nc3ccccc23)cc1 Show InChI InChI=1S/C20H15NOS/c22-13-14-9-11-15(12-10-14)23-20-16-5-1-3-7-18(16)21-19-8-4-2-6-17(19)20/h1-12,22H,13H2	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sloan-Kettering Institute for Cancer Research Curated by ChEMBL					Assay Description In vitro 50% inhibition of topoisomerase II mediated k-DNA decatenation				J Med Chem 38: 3226-35 (1995) Article DOI: 10.1021/jm00017a006 BindingDB Entry DOI: 10.7270/Q2XS5Z3R
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta (Homo sapiens (Human))	BDBM50470370 (CHEMBL109468) Show SMILES OC(=O)CCC(=O)Nc1cc(COC(=O)CCC(O)=O)cc(Nc2c3ccccc3nc3ccccc23)c1 Show InChI InChI=1S/C28H25N3O7/c32-24(9-10-25(33)34)29-18-13-17(16-38-27(37)12-11-26(35)36)14-19(15-18)30-28-20-5-1-3-7-22(20)31-23-8-4-2-6-21(23)28/h1-8,13-15H,9-12,16H2,(H,29,32)(H,30,31)(H,33,34)(H,35,36)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sloan-Kettering Institute for Cancer Research Curated by ChEMBL					Assay Description In vitro 50% inhibition of topoisomerase II mediated k-DNA decatenation				J Med Chem 38: 3226-35 (1995) Article DOI: 10.1021/jm00017a006 BindingDB Entry DOI: 10.7270/Q2XS5Z3R
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta (Homo sapiens (Human))	BDBM50470358 (CHEMBL109922) Show SMILES CNC(=O)OCc1ccc(Sc2c3ccccc3nc3c(OC)cccc23)cc1 Show InChI InChI=1S/C23H20N2O3S/c1-24-23(26)28-14-15-10-12-16(13-11-15)29-22-17-6-3-4-8-19(17)25-21-18(22)7-5-9-20(21)27-2/h3-13H,14H2,1-2H3,(H,24,26)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sloan-Kettering Institute for Cancer Research Curated by ChEMBL					Assay Description In vitro 50% inhibition of topoisomerase II mediated k-DNA decatenation				J Med Chem 38: 3226-35 (1995) Article DOI: 10.1021/jm00017a006 BindingDB Entry DOI: 10.7270/Q2XS5Z3R
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta (Homo sapiens (Human))	BDBM50470366 (CHEMBL109534) Show SMILES COc1cccc2c(Oc3ccc(COC(=O)NC(C)C)cc3)c3ccccc3nc12 Show InChI InChI=1S/C25H24N2O4/c1-16(2)26-25(28)30-15-17-11-13-18(14-12-17)31-24-19-7-4-5-9-21(19)27-23-20(24)8-6-10-22(23)29-3/h4-14,16H,15H2,1-3H3,(H,26,28)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sloan-Kettering Institute for Cancer Research Curated by ChEMBL					Assay Description In vitro 50% inhibition of topoisomerase II mediated k-DNA decatenation				J Med Chem 38: 3226-35 (1995) Article DOI: 10.1021/jm00017a006 BindingDB Entry DOI: 10.7270/Q2XS5Z3R
					More data for this Ligand-Target Pair

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